SYTL2_MOUSE Loading...

Isoform 3 of Synaptotagmin-like protein 2 AlphaSync

Canonical isoform description: Isoform 11 acts as a RAB27A effector protein and plays a role in cytotoxic granule exocytosis in lymphocytes. Required for cytotoxic granule docking at the immunologic synapse. Isoform 1 may play a role in melanosome transport and vesicle trafficking. It controls melanosome distribution in the cell periphery and regulates melanocyte morphology. Isoform 1 acts as a positive mediator of mucus secretion by the surface mucus cells of the stomach. Mediates basal mucus secretion by gastric surface cells by promoting the proper granule biognesis and docking of mucus granules with the apical plasma membrane.

AlphaFold DB , UniProt , Accession Q99N50-3 (canonical: Q99N50), Species MOUSE (Mus musculus, Mouse), Gene Sytl2, Length 923 aa.

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

 

Download Structure   AlphaSync Parameters   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
1M68.7Low84.8Confident149 Ų14995.6 Ų95.673%0.73448%0.482SS*.  0136.30-168.5169.753.500106.5S75M1-S75 VanDerWaalsContact CG-OG 3.29Å; M1-S75 WeakPolarHBondContact CG-OG 3.29Å
2I81.7Confident85.2Confident83 Ų8390.8 Ų90.843%0.42646%0.457SS..  trans-85.1131.5-175.5-60167.6000107.6L4 I71 I72 S75I2-L4 HydrophobicContact CG2-CD2 3.69Å; I2-L4 HydrophobicContact CG2-CG 4.12Å; I2-L4 PolarHBondContact O-N 3.45Å; I2-I71 HydrophobicContact CD1-CB 4.48Å; I2-I71 HydrophobicContact CD1-CG2 3.64Å; I2-I71 HydrophobicContact CG1-CG2 3.74Å; I2-I72 HydrophobicContact CD1-CG1 4.37Å; I2-S75 PolarHBondContact N-OG 2.75Å; I2-S75 VanDerWaalsContact N-OG 3.07Å; I2-S75 VanDerWaalsContact O-CB 3.3Å; I2-S75 WeakPolarHBondContact O-CB 3.44Å; I2-S75 PolarHBondContact O-OG 3.47Å
3D84.1Confident85.7Confident105 Ų10589.2 Ų89.256%0.56145%0.45SS*.  trans-72.2122.4169.9-175.18.6000108.8S5 F6D3-S5 VanDerWaalsContact CG-OG 3.32Å; D3-S5 WeakPolarHBondContact OD1-CB 3.46Å; D3-S5 PolarHBondContact OD1-N 3.04Å; D3-S5 PolarHBondContact OD1-OG 3.26Å; D3-S5 PolarHBondContact OD2-OG 3.07Å; D3-F6 WeakPolarHBondContact O-CE1 3.35Å
4L85.3Confident86.2Confident26 Ų2686.6 Ų86.614%0.13645%0.449CS..  trans-124.918.9179.9-63.5-178.7000110.3I2 F6 L7 I72 M76 K79I2-L4 HydrophobicContact CG2-CD2 3.69Å; I2-L4 HydrophobicContact CG2-CG 4.12Å; I2-L4 PolarHBondContact O-N 3.45Å; L4-F6 HydrophobicContact CD2-CZ 4.45Å; L4-F6 PolarHBondContact O-N 3.12Å; L4-L7 HydrophobicContact CB-CD1 4Å; L4-L7 HydrophobicContact CD2-CD1 4.01Å; L4-L7 HydrophobicContact CG-CD1 4.39Å; L4-L7 PolarHBondContact O-N 3.34Å; L4-I72 HydrophobicContact CD1-CG2 4.07Å; L4-M76 HydrophobicContact CD1-CG 3.86Å; L4-K79 PolarHBondContact O-NZ 3.14Å
5S80.9Confident86.6Confident71 Ų7184.2 Ų84.250%0.49744%0.437SS..THydrogen-bonded Turntrans-61.3-31.2-179.558.80000112.7D3 L7 K79D3-S5 VanDerWaalsContact CG-OG 3.32Å; D3-S5 WeakPolarHBondContact OD1-CB 3.46Å; D3-S5 PolarHBondContact OD1-N 3.04Å; D3-S5 PolarHBondContact OD1-OG 3.26Å; D3-S5 PolarHBondContact OD2-OG 3.07Å; S5-L7 VanDerWaalsContact C-N 3.34Å; S5-L7 PolarHBondContact O-N 3.26Å; S5-K79 VanDerWaalsContact C-NZ 3.31Å; S5-K79 PolarHBondContact O-NZ 3.43Å
6F87.2Confident86.9Confident143 Ų14383.4 Ų83.463%0.62743%0.433SS*.THydrogen-bonded Turntrans-76.1-10.9-178.157.2-97.7000115.6D3 L4D3-F6 WeakPolarHBondContact O-CE1 3.35Å; L4-F6 HydrophobicContact CD2-CZ 4.45Å; L4-F6 PolarHBondContact O-N 3.12Å
7L86.1Confident87.3Confident23 Ų2384.1 Ų84.112%0.1243%0.432CS..  trans-75.9134.8-178.8-66.1172.4000111.6L4 S5 E11 Q12 I15 K79L4-L7 HydrophobicContact CB-CD1 4Å; L4-L7 HydrophobicContact CD2-CD1 4.01Å; L4-L7 HydrophobicContact CG-CD1 4.39Å; L4-L7 PolarHBondContact O-N 3.34Å; S5-L7 VanDerWaalsContact C-N 3.34Å; S5-L7 PolarHBondContact O-N 3.26Å; L7-E11 VanDerWaalsContact CA-OE2 3.3Å; L7-E11 WeakPolarHBondContact CA-OE2 3.48Å; L7-E11 HydrophobicContact CB-CB 4.24Å; L7-E11 HydrophobicContact CD2-CB 4.02Å; L7-Q12 HydrophobicContact CB-CG 3.72Å; L7-Q12 HydrophobicContact CD1-CG 4.17Å; L7-Q12 PolarHBondContact O-NE2 3.47Å; L7-I15 HydrophobicContact CD1-CD1 3.45Å; L7-I15 VanDerWaalsContact CD1-CD1 3.45Å; L7-I15 HydrophobicContact CD2-CD1 4.11Å; L7-I15 HydrophobicContact CG-CD1 4.44Å; L7-K79 PolarHBondContact O-NZ 3.01Å; L7-K79 VanDerWaalsContact O-NZ 3.09Å
8T88.5Confident87.7Confident64 Ų6484.4 Ų84.439%0.39344%0.438SS..  trans-65.8167.8169.579.20000111E10 E11 Q12T8-E10 VanDerWaalsContact C-N 3.31Å; T8-E10 WeakPolarHBondContact CB-OE2 3.23Å; T8-E10 PolarHBondContact OG1-N 2.85Å; T8-E10 PolarHBondContact OG1-OE2 2.91Å; T8-E11 PolarHBondContact N-OE2 3.34Å; T8-E11 PolarHBondContact O-N 3.41Å; T8-E11 WeakPolarHBondContact OG1-CG 3.32Å; T8-E11 PolarHBondContact OG1-N 3.36Å; T8-Q12 WeakPolarHBondContact O-CB 3.31Å; T8-Q12 VanDerWaalsContact O-CG 3.28Å; T8-Q12 WeakPolarHBondContact O-CG 3.42Å; T8-Q12 PolarHBondContact O-N 2.81Å; T8-Q12 PolarHBondContact O-NE2 3.04Å
9E87.8Confident88Confident159 Ų15980.7 Ų80.774%0.74342%0.419SS*.Hα-helixtrans-64.4-38.6177.5-172.6171.7-172.500111.4E11 Q12 D13E9-E11 PolarHBondContact O-N 3.42Å; E9-Q12 PolarHBondContact O-N 3.36Å; E9-D13 PolarHBondContact O-N 3.4Å
10E90.2Very high88.2Confident137 Ų13782.7 Ų82.764%0.6443%0.426SS*.Hα-helixtrans-65.4-40.6177.1-53.178.9-171.300111.6T8 D13 A14T8-E10 VanDerWaalsContact C-N 3.31Å; T8-E10 WeakPolarHBondContact CB-OE2 3.23Å; T8-E10 PolarHBondContact OG1-N 2.85Å; T8-E10 PolarHBondContact OG1-OE2 2.91Å; E10-D13 PolarHBondContact O-N 2.94Å; E10-A14 WeakPolarHBondContact O-CB 3.42Å; E10-A14 PolarHBondContact O-N 3.29Å
11E92.2Very high88.5Confident92 Ų9286.3 Ų86.343%0.4343%0.434SS..Hα-helixtrans-66-40.7175.8-69.7177.614500111.4L7 T8 E9 A14 I15L7-E11 VanDerWaalsContact CA-OE2 3.3Å; L7-E11 WeakPolarHBondContact CA-OE2 3.48Å; L7-E11 HydrophobicContact CB-CB 4.24Å; L7-E11 HydrophobicContact CD2-CB 4.02Å; T8-E11 PolarHBondContact N-OE2 3.34Å; T8-E11 PolarHBondContact O-N 3.41Å; T8-E11 WeakPolarHBondContact OG1-CG 3.32Å; T8-E11 PolarHBondContact OG1-N 3.36Å; E9-E11 PolarHBondContact O-N 3.42Å; E11-A14 PolarHBondContact O-N 3.2Å; E11-I15 WeakPolarHBondContact O-CD1 3.44Å; E11-I15 VanDerWaalsContact O-CG1 3.27Å; E11-I15 WeakPolarHBondContact O-CG1 3.19Å; E11-I15 PolarHBondContact O-N 3.38Å
12Q90.3Very high89.7Confident38 Ų3882.6 Ų82.618%0.17842%0.417CS..Hα-helixtrans-62.7-46.2174.6-75.1174.159.200111.6L7 T8 E9 A14 I15 L16 M76L7-Q12 HydrophobicContact CB-CG 3.72Å; L7-Q12 HydrophobicContact CD1-CG 4.17Å; L7-Q12 PolarHBondContact O-NE2 3.47Å; T8-Q12 WeakPolarHBondContact O-CB 3.31Å; T8-Q12 VanDerWaalsContact O-CG 3.28Å; T8-Q12 WeakPolarHBondContact O-CG 3.42Å; T8-Q12 PolarHBondContact O-N 2.81Å; T8-Q12 PolarHBondContact O-NE2 3.04Å; E9-Q12 PolarHBondContact O-N 3.36Å; Q12-A14 PolarHBondContact O-N 3.17Å; Q12-I15 PolarHBondContact O-N 3.24Å; Q12-L16 WeakPolarHBondContact O-CB 3.34Å; Q12-L16 PolarHBondContact O-N 2.88Å; Q12-M76 HydrophobicContact CB-CE 3.75Å; Q12-M76 HydrophobicContact CG-CE 4.18Å; Q12-M76 WeakPolarHBondContact O-CE 3.28Å
13D90.7Very high90.1Very high69 Ų6979.7 Ų79.737%0.36941%0.406SS..Hα-helixtrans-63.7-40.5178.1-175.856000111.8E9 E10 I15 L16 K17E9-D13 PolarHBondContact O-N 3.4Å; E10-D13 PolarHBondContact O-N 2.94Å; D13-I15 VanDerWaalsContact C-N 3.34Å; D13-I15 PolarHBondContact O-N 3.38Å; D13-L16 PolarHBondContact O-N 3.09Å; D13-K17 WeakPolarHBondContact O-CB 3.49Å; D13-K17 WeakPolarHBondContact O-CG 3.38Å; D13-K17 PolarHBondContact O-N 3.29Å; D13-K17 WeakPolarHBondContact OD2-CE 3.15Å; D13-K17 IonicContact OD2-NZ 3.81Å; D13-K17 PolarHBondContact OD2-NZ 3.24Å
14A93.6Very high90.6Very high53 Ų5376.8 Ų76.844%0.43840%0.397SS..Hα-helixtrans-59.3-44.5173.600000111.8E10 E11 Q12 K17 V18E10-A14 WeakPolarHBondContact O-CB 3.42Å; E10-A14 PolarHBondContact O-N 3.29Å; E11-A14 PolarHBondContact O-N 3.2Å; Q12-A14 PolarHBondContact O-N 3.17Å; A14-K17 PolarHBondContact O-N 2.64Å; A14-V18 WeakPolarHBondContact O-CG2 3.3Å; A14-V18 PolarHBondContact O-N 3.43Å; A14-V18 VanDerWaalsContact O-N 3.1Å
15I92.2Very high91Very high51 Ų5181.1 Ų81.126%0.26242%0.419SS..Hα-helixtrans-64.8-41.9176-69.4162.4000110.8L7 E11 Q12 D13 K17 V18 L19 I72 M76L7-I15 HydrophobicContact CD1-CD1 3.45Å; L7-I15 VanDerWaalsContact CD1-CD1 3.45Å; L7-I15 HydrophobicContact CD2-CD1 4.11Å; L7-I15 HydrophobicContact CG-CD1 4.44Å; E11-I15 WeakPolarHBondContact O-CD1 3.44Å; E11-I15 VanDerWaalsContact O-CG1 3.27Å; E11-I15 WeakPolarHBondContact O-CG1 3.19Å; E11-I15 PolarHBondContact O-N 3.38Å; Q12-I15 PolarHBondContact O-N 3.24Å; D13-I15 VanDerWaalsContact C-N 3.34Å; D13-I15 PolarHBondContact O-N 3.38Å; I15-K17 PolarHBondContact O-N 3.34Å; I15-V18 PolarHBondContact O-N 3.11Å; I15-L19 HydrophobicContact CG2-CD1 3.91Å; I15-L19 HydrophobicContact CG2-CG 4.36Å; I15-L19 VanDerWaalsContact O-CG 3.3Å; I15-L19 WeakPolarHBondContact O-CG 3.1Å; I15-L19 PolarHBondContact O-N 3.41Å; I15-I72 HydrophobicContact CG2-CG2 3.82Å; I15-M76 HydrophobicContact CB-SD 4.42Å; I15-M76 HydrophobicContact CG2-SD 3.79Å
16L91.5Very high91.4Very high72 Ų7282.2 Ų82.238%0.37742%0.415SS..Hα-helixtrans-63.4-42178.5-168.962.8000111.7Q12 D13 V18 L19 Q20 M76Q12-L16 WeakPolarHBondContact O-CB 3.34Å; Q12-L16 PolarHBondContact O-N 2.88Å; D13-L16 PolarHBondContact O-N 3.09Å; L16-V18 VanDerWaalsContact C-N 3.33Å; L16-V18 PolarHBondContact O-N 2.87Å; L16-L19 PolarHBondContact O-N 2.77Å; L16-Q20 WeakPolarHBondContact O-CG 3.39Å; L16-Q20 PolarHBondContact O-N 3.22Å; L16-M76 HydrophobicContact CB-CE 4.19Å
17K93.3Very high91.7Very high95 Ų9583 Ų8341%0.41341%0.414SS..Hα-helixtrans-60.7-39.5174.1-78170.6174.3156.60112.1D13 A14 I15 Q20 R21D13-K17 WeakPolarHBondContact O-CB 3.49Å; D13-K17 WeakPolarHBondContact O-CG 3.38Å; D13-K17 PolarHBondContact O-N 3.29Å; D13-K17 WeakPolarHBondContact OD2-CE 3.15Å; D13-K17 IonicContact OD2-NZ 3.81Å; D13-K17 PolarHBondContact OD2-NZ 3.24Å; A14-K17 PolarHBondContact O-N 2.64Å; I15-K17 PolarHBondContact O-N 3.34Å; K17-Q20 PolarHBondContact O-N 3.39Å; K17-R21 WeakPolarHBondContact O-CG 3.44Å; K17-R21 PolarHBondContact O-N 3.38Å
18V94.9Very high91.9Very high90 Ų9084.6 Ų84.655%0.54543%0.431SS..Hα-helixtrans-65.5-45.6174.41730000110.7A14 I15 L16 Q20 R21 D22A14-V18 WeakPolarHBondContact O-CG2 3.3Å; A14-V18 PolarHBondContact O-N 3.43Å; A14-V18 VanDerWaalsContact O-N 3.1Å; I15-V18 PolarHBondContact O-N 3.11Å; L16-V18 VanDerWaalsContact C-N 3.33Å; L16-V18 PolarHBondContact O-N 2.87Å; V18-Q20 VanDerWaalsContact C-N 3.29Å; V18-Q20 PolarHBondContact O-N 3.23Å; V18-R21 PolarHBondContact O-N 3.4Å; V18-D22 WeakPolarHBondContact O-CB 3.32Å; V18-D22 PolarHBondContact O-N 2.96Å
19L93.4Very high92Very high14 Ų1485.7 Ų85.77%0.07343%0.431CS..Hα-helixtrans-63-33.8178.1-68.2168.8000112.7I15 L16 A23 A69 I72 R73 M76I15-L19 HydrophobicContact CG2-CD1 3.91Å; I15-L19 HydrophobicContact CG2-CG 4.36Å; I15-L19 VanDerWaalsContact O-CG 3.3Å; I15-L19 WeakPolarHBondContact O-CG 3.1Å; I15-L19 PolarHBondContact O-N 3.41Å; L16-L19 PolarHBondContact O-N 2.77Å; L19-A23 WeakPolarHBondContact O-CB 3.46Å; L19-A23 PolarHBondContact O-N 3.21Å; L19-A69 HydrophobicContact CD2-CB 3.72Å; L19-I72 HydrophobicContact CD1-CB 4.36Å; L19-I72 HydrophobicContact CD1-CG2 3.81Å; L19-R73 HydrophobicContact CD1-CG 3.9Å; L19-M76 HydrophobicContact CD1-SD 4.17Å
20Q91.9Very high92.1Very high119 Ų11982.9 Ų82.956%0.55642%0.418SS*.Hα-helixtrans-68.9-44.6173.6-76.1176.2-7.500112.1L16 K17 V18 A23 A24L16-Q20 WeakPolarHBondContact O-CG 3.39Å; L16-Q20 PolarHBondContact O-N 3.22Å; K17-Q20 PolarHBondContact O-N 3.39Å; V18-Q20 VanDerWaalsContact C-N 3.29Å; V18-Q20 PolarHBondContact O-N 3.23Å; Q20-A23 PolarHBondContact O-N 2.85Å; Q20-A24 PolarHBondContact O-N 3.24Å
21R94Very high92.2Very high160 Ų16081.1 Ų81.160%0.60441%0.41SS*.Hα-helixtrans-61.9-43.5175.5-72.9-178.8-174.8108.1-2.2111.6K17 V18 A23 A24 L25K17-R21 WeakPolarHBondContact O-CG 3.44Å; K17-R21 PolarHBondContact O-N 3.38Å; V18-R21 PolarHBondContact O-N 3.4Å; R21-A23 VanDerWaalsContact C-N 3.35Å; R21-A23 PolarHBondContact O-N 2.86Å; R21-A24 PolarHBondContact O-N 2.94Å; R21-L25 WeakPolarHBondContact O-CG 3.28Å; R21-L25 PolarHBondContact O-N 2.82Å
22D92.9Very high92.3Very high70 Ų7080.6 Ų80.637%0.37440%0.404SS..Hα-helixtrans-61.9-42.2176.1-170.663.2000111.4V18 A24 L25 K26V18-D22 WeakPolarHBondContact O-CB 3.32Å; V18-D22 PolarHBondContact O-N 2.96Å; D22-A24 VanDerWaalsContact C-N 3.34Å; D22-A24 PolarHBondContact O-N 3.42Å; D22-L25 PolarHBondContact O-N 3.16Å; D22-K26 VanDerWaalsContact O-CB 3.28Å; D22-K26 WeakPolarHBondContact O-CB 3.14Å; D22-K26 PolarHBondContact O-N 3.39Å
23A92.1Very high92.2Very high23 Ų2380.9 Ų80.919%0.1941%0.408CS..Hα-helixtrans-63.7-36.2174.400000113.2L19 Q20 R21 R27L19-A23 WeakPolarHBondContact O-CB 3.46Å; L19-A23 PolarHBondContact O-N 3.21Å; Q20-A23 PolarHBondContact O-N 2.85Å; R21-A23 VanDerWaalsContact C-N 3.35Å; R21-A23 PolarHBondContact O-N 2.86Å; A23-R27 PolarHBondContact O-N 2.86Å; A23-R27 VanDerWaalsContact O-N 3.09Å
24A93.5Very high92.1Very high44 Ų4484.8 Ų84.836%0.36442%0.418SS..Hα-helixtrans-69.3-44.9175.500000111.8Q20 R21 D22 K26 R27 A28Q20-A24 PolarHBondContact O-N 3.24Å; R21-A24 PolarHBondContact O-N 2.94Å; D22-A24 VanDerWaalsContact C-N 3.34Å; D22-A24 PolarHBondContact O-N 3.42Å; A24-K26 VanDerWaalsContact C-N 3.33Å; A24-K26 PolarHBondContact O-N 2.64Å; A24-R27 PolarHBondContact O-N 3.46Å; A24-A28 PolarHBondContact O-N 2.98Å
25L93Very high91.9Very high117 Ų11785.6 Ų85.661%0.61341%0.412SS*.Hα-helixtrans-61-42.3174.7-74.5171.5000111.8R21 D22 R27 A28 E29R21-L25 WeakPolarHBondContact O-CG 3.28Å; R21-L25 PolarHBondContact O-N 2.82Å; D22-L25 PolarHBondContact O-N 3.16Å; L25-R27 PolarHBondContact O-N 3.43Å; L25-A28 PolarHBondContact O-N 3.5Å; L25-E29 WeakPolarHBondContact O-CB 3.49Å; L25-E29 PolarHBondContact O-N 2.97Å
26K91Very high91.7Very high94 Ų9483.7 Ų83.741%0.40940%0.403SS..Hα-helixtrans-62-42176.8-168.7169.5-173-74.60112.1D22 A24 E29 E30D22-K26 VanDerWaalsContact O-CB 3.28Å; D22-K26 WeakPolarHBondContact O-CB 3.14Å; D22-K26 PolarHBondContact O-N 3.39Å; A24-K26 VanDerWaalsContact C-N 3.33Å; A24-K26 PolarHBondContact O-N 2.64Å; K26-E29 PolarHBondContact O-N 3.16Å; K26-E30 WeakPolarHBondContact CG-OE1 3.47Å; K26-E30 IonicContact NZ-OE1 3.76Å; K26-E30 PolarHBondContact NZ-OE1 3.37Å; K26-E30 WeakPolarHBondContact O-CB 3.33Å; K26-E30 VanDerWaalsContact O-CG 3.25Å; K26-E30 WeakPolarHBondContact O-CG 3.43Å; K26-E30 PolarHBondContact O-N 2.94Å
27R91.8Very high91.4Very high158 Ų15883.7 Ų83.760%0.59641%0.407SS*.Hα-helixtrans-63.1-43.9172.9-86-171.6-91.6105.9-5.8112.6A23 A24 L25 E29 E30 E31A23-R27 PolarHBondContact O-N 2.86Å; A23-R27 VanDerWaalsContact O-N 3.09Å; A24-R27 PolarHBondContact O-N 3.46Å; L25-R27 PolarHBondContact O-N 3.43Å; R27-E29 VanDerWaalsContact C-N 3.3Å; R27-E29 PolarHBondContact O-N 3.24Å; R27-E30 PolarHBondContact O-N 3.25Å; R27-E31 WeakPolarHBondContact O-CB 3.45Å; R27-E31 PolarHBondContact O-N 3.28Å
28A92.2Very high91.1Very high58 Ų5886.2 Ų86.248%0.47942%0.42SS..Hα-helixtrans-63.4-37.2177.300000112.2A24 L25 R32A24-A28 PolarHBondContact O-N 2.98Å; L25-A28 PolarHBondContact O-N 3.5Å; A28-R32 WeakPolarHBondContact O-CB 3.33Å; A28-R32 PolarHBondContact O-N 2.77Å
29E90.3Very high90.5Very high87 Ų8789.4 Ų89.441%0.40743%0.427SS..Hα-helixtrans-72.9-42176.5-175.563.1-175.900112.2L25 K26 R27 E31 R32 V33L25-E29 WeakPolarHBondContact O-CB 3.49Å; L25-E29 PolarHBondContact O-N 2.97Å; K26-E29 PolarHBondContact O-N 3.16Å; R27-E29 VanDerWaalsContact C-N 3.3Å; R27-E29 PolarHBondContact O-N 3.24Å; E29-E31 VanDerWaalsContact C-N 3.29Å; E29-E31 PolarHBondContact O-N 3.28Å; E29-R32 VanDerWaalsContact CD-NE 3.29Å; E29-R32 WeakPolarHBondContact O-CB 3.3Å; E29-R32 PolarHBondContact O-N 2.88Å; E29-R32 IonicContact OE1-CZ 3.84Å; E29-R32 VanDerWaalsContact OE1-CZ 3.3Å; E29-R32 IonicContact OE1-NE 3.04Å; E29-R32 PolarHBondContact OE1-NE 2.78Å; E29-R32 VanDerWaalsContact OE1-NE 3.16Å; E29-R32 IonicContact OE1-NH2 3.86Å; E29-R32 PolarHBondContact OE1-NH2 3.4Å; E29-R32 IonicContact OE2-CZ 3.83Å; E29-R32 IonicContact OE2-NE 3.6Å; E29-R32 PolarHBondContact OE2-NE 2.98Å; E29-R32 IonicContact OE2-NH2 2.64Å; E29-V33 WeakPolarHBondContact O-CB 3.46Å; E29-V33 VanDerWaalsContact O-CG2 3.28Å; E29-V33 WeakPolarHBondContact O-CG2 3.4Å; E29-V33 PolarHBondContact O-N 3.33Å
30E89.7Confident90Very high100 Ų10089.9 Ų89.947%0.46743%0.429SS..Hα-helixtrans-59.9-39.9173.3-77169.5-172.700111.5K26 R27 V33 R34K26-E30 WeakPolarHBondContact CG-OE1 3.47Å; K26-E30 IonicContact NZ-OE1 3.76Å; K26-E30 PolarHBondContact NZ-OE1 3.37Å; K26-E30 WeakPolarHBondContact O-CB 3.33Å; K26-E30 VanDerWaalsContact O-CG 3.25Å; K26-E30 WeakPolarHBondContact O-CG 3.43Å; K26-E30 PolarHBondContact O-N 2.94Å; R27-E30 PolarHBondContact O-N 3.25Å; E30-V33 PolarHBondContact O-N 3.44Å; E30-R34 WeakPolarHBondContact O-CB 3.38Å; E30-R34 PolarHBondContact O-N 2.89Å
31E91.8Very high89.6Confident100 Ų10094.1 Ų94.147%0.46745%0.446SS..Hα-helixtrans-67.7-42.3174.1-175154.8-126.800112.1R27 E29 V33 R34 H35R27-E31 WeakPolarHBondContact O-CB 3.45Å; R27-E31 PolarHBondContact O-N 3.28Å; E29-E31 VanDerWaalsContact C-N 3.29Å; E29-E31 PolarHBondContact O-N 3.28Å; E31-V33 VanDerWaalsContact C-N 3.29Å; E31-V33 PolarHBondContact O-N 3.4Å; E31-R34 PolarHBondContact O-N 3.33Å; E31-R34 IonicContact OE1-CZ 3.44Å; E31-R34 IonicContact OE1-NH2 2.77Å; E31-R34 PolarHBondContact OE1-NH2 3.11Å; E31-H35 PolarHBondContact O-CD2 3.4Å; E31-H35 PolarHBondContact O-N 2.99Å; E31-H35 VanDerWaalsContact O-N 3.17Å
32R93.3Very high89.2Confident80 Ų8090.3 Ų90.330%0.30244%0.437SS..Hα-helixtrans-58.3-42173.2-172.4-162.268.376.8-2.2111.5A28 E29 L36 M49A28-R32 WeakPolarHBondContact O-CB 3.33Å; A28-R32 PolarHBondContact O-N 2.77Å; E29-R32 VanDerWaalsContact CD-NE 3.29Å; E29-R32 WeakPolarHBondContact O-CB 3.3Å; E29-R32 PolarHBondContact O-N 2.88Å; E29-R32 IonicContact OE1-CZ 3.84Å; E29-R32 VanDerWaalsContact OE1-CZ 3.3Å; E29-R32 IonicContact OE1-NE 3.04Å; E29-R32 PolarHBondContact OE1-NE 2.78Å; E29-R32 VanDerWaalsContact OE1-NE 3.16Å; E29-R32 IonicContact OE1-NH2 3.86Å; E29-R32 PolarHBondContact OE1-NH2 3.4Å; E29-R32 IonicContact OE2-CZ 3.83Å; E29-R32 IonicContact OE2-NE 3.6Å; E29-R32 PolarHBondContact OE2-NE 2.98Å; E29-R32 IonicContact OE2-NH2 2.64Å; R32-L36 PolarHBondContact O-N 3.3Å; R32-M49 PolarHBondContact NH1-O 3.36Å; R32-M49 PolarHBondContact NH2-O 3.27Å
33V89.2Confident88.8Confident44 Ų4492.6 Ų92.627%0.26745%0.45SS..Hα-helixtrans-70.5-37.4178.71740000111.2E29 E30 E31 H35 L36 P37E29-V33 WeakPolarHBondContact O-CB 3.46Å; E29-V33 VanDerWaalsContact O-CG2 3.28Å; E29-V33 WeakPolarHBondContact O-CG2 3.4Å; E29-V33 PolarHBondContact O-N 3.33Å; E30-V33 PolarHBondContact O-N 3.44Å; E31-V33 VanDerWaalsContact C-N 3.29Å; E31-V33 PolarHBondContact O-N 3.4Å; V33-H35 VanDerWaalsContact C-N 3.3Å; V33-H35 PolarHBondContact O-N 3.25Å; V33-L36 WeakPolarHBondContact O-CB 3.21Å; V33-L36 PolarHBondContact O-N 3.09Å; V33-L36 VanDerWaalsContact O-N 3.09Å; V33-P37 VanDerWaalsContact O-CD 3.29Å; V33-P37 WeakPolarHBondContact O-CD 3.21Å
34R89.4Confident88.4Confident152 Ų15294.7 Ų94.757%0.57446%0.455SS*.Hα-helixtrans-60.6-37175.6-170.2-177.768-147.8-6.5112.8E30 E31 L36 P37E30-R34 WeakPolarHBondContact O-CB 3.38Å; E30-R34 PolarHBondContact O-N 2.89Å; E31-R34 PolarHBondContact O-N 3.33Å; E31-R34 IonicContact OE1-CZ 3.44Å; E31-R34 IonicContact OE1-NH2 2.77Å; E31-R34 PolarHBondContact OE1-NH2 3.11Å; R34-L36 VanDerWaalsContact C-N 3.35Å; R34-P37 WeakPolarHBondContact O-CD 3.41Å
35H88.8Confident87.9Confident70 Ų7096.9 Ų96.932%0.32446%0.458SS..THydrogen-bonded Turntrans-88.93.1176.7-67.8-68.6000113.9E31 V33 E38E31-H35 PolarHBondContact O-CD2 3.4Å; E31-H35 PolarHBondContact O-N 2.99Å; E31-H35 VanDerWaalsContact O-N 3.17Å; V33-H35 VanDerWaalsContact C-N 3.3Å; V33-H35 PolarHBondContact O-N 3.25Å; H35-E38 IonicContact CG-OE2 3.08Å; H35-E38 IonicContact ND1-OE1 3.31Å; H35-E38 IonicContact ND1-OE2 2.75Å; H35-E38 PolarHBondContact ND1-OE2 3.06Å
36L87.1Confident87.7Confident11 Ų1193 Ų936%0.05844%0.438CS..SBendtrans-73.8-40-178.8-154.969.1000113.5R32 V33 R34 E38 K39 I40 L46 M49R32-L36 PolarHBondContact O-N 3.3Å; V33-L36 WeakPolarHBondContact O-CB 3.21Å; V33-L36 PolarHBondContact O-N 3.09Å; V33-L36 VanDerWaalsContact O-N 3.09Å; R34-L36 VanDerWaalsContact C-N 3.35Å; L36-E38 PolarHBondContact O-N 3.49Å; L36-K39 PolarHBondContact O-N 2.98Å; L36-I40 HydrophobicContact CD1-CD1 4.12Å; L36-I40 HydrophobicContact CG-CD1 4.19Å; L36-I40 PolarHBondContact O-N 3.32Å; L36-I40 VanDerWaalsContact O-N 3.07Å; L36-L46 HydrophobicContact CB-CD1 3.94Å; L36-L46 HydrophobicContact CD2-CD1 3.94Å; L36-L46 HydrophobicContact CG-CD1 3.83Å; L36-M49 HydrophobicContact CD2-CB 3.72Å
37P85.9Confident87.6Confident72 Ų7292.5 Ų92.547%0.46844%0.436SS..THydrogen-bonded Turntrans-61.6-25.8175-22.533.1000113.6V33 R34 K39 L46V33-P37 VanDerWaalsContact O-CD 3.29Å; V33-P37 WeakPolarHBondContact O-CD 3.21Å; R34-P37 WeakPolarHBondContact O-CD 3.41Å; P37-K39 PolarHBondContact O-N 2.89Å; P37-L46 HydrophobicContact CB-CD1 4.44Å; P37-L46 HydrophobicContact CB-CD2 4.44Å; P37-L46 HydrophobicContact CG-CD1 4.14Å; P37-L46 HydrophobicContact CG-CD2 4.27Å
38E87.2Confident87.3Confident147 Ų14787.1 Ų87.169%0.68742%0.419SS*.THydrogen-bonded Turntrans-69.7-23.7175.2-63.8170.8177.700112.2H35 L36H35-E38 IonicContact CG-OE2 3.08Å; H35-E38 IonicContact ND1-OE1 3.31Å; H35-E38 IonicContact ND1-OE2 2.75Å; H35-E38 PolarHBondContact ND1-OE2 3.06Å; L36-E38 PolarHBondContact O-N 3.49Å
39K81.9Confident87Confident157 Ų15788.8 Ų88.868%0.68342%0.418SS*.THydrogen-bonded Turntrans-103.6-27.1-175.5-67.2-175.9-179.4-173.90114.2L36 P37L36-K39 PolarHBondContact O-N 2.98Å; P37-K39 PolarHBondContact O-N 2.89Å
40I82Confident87Confident24 Ų2485.4 Ų85.412%0.12340%0.404CS..  trans-129.3116.9-173.1-56.2174.7000108L36 D42 Q45 L46 M49L36-I40 HydrophobicContact CD1-CD1 4.12Å; L36-I40 HydrophobicContact CG-CD1 4.19Å; L36-I40 PolarHBondContact O-N 3.32Å; L36-I40 VanDerWaalsContact O-N 3.07Å; I40-D42 HydrophobicContact CG2-CB 4.45Å; I40-Q45 HydrophobicContact CG2-CB 3.75Å; I40-L46 HydrophobicContact CB-CD1 4.48Å; I40-M49 HydrophobicContact CD1-CB 4.21Å; I40-M49 HydrophobicContact CD1-CE 4.24Å; I40-M49 HydrophobicContact CD1-CG 4.14Å; I40-M49 HydrophobicContact CD1-SD 3.23Å; I40-M49 WeakPolarHBondContact CD1-SD 3.48Å
41K83.7Confident87Confident209 Ų20981.6 Ų81.691%0.90939%0.391SS*.  trans-89.4-16.3177.6-65.3-175.9179.3-1780113.5
42D85.9Confident86.7Confident79 Ų7981.6 Ų81.642%0.42239%0.391SS..  trans-81.3119.3177.6173.734.8000110.9I40 Q44 Q45 L46I40-D42 HydrophobicContact CG2-CB 4.45Å; D42-Q44 VanDerWaalsContact C-N 3.3Å; D42-Q44 PolarHBondContact O-N 3.23Å; D42-Q44 PolarHBondContact OD1-N 2.68Å; D42-Q45 HydrophobicContact CB-CB 4.26Å; D42-Q45 PolarHBondContact O-N 3.42Å; D42-Q45 WeakPolarHBondContact OD2-CB 3.36Å; D42-Q45 WeakPolarHBondContact OD2-CG 3.32Å; D42-Q45 PolarHBondContact OD2-N 2.86Å; D42-Q45 VanDerWaalsContact OD2-N 3.12Å; D42-L46 VanDerWaalsContact O-CB 3.32Å; D42-L46 WeakPolarHBondContact O-CB 3.39Å; D42-L46 PolarHBondContact O-N 2.82Å
43D85.7Confident86.6Confident119 Ų11984.6 Ų84.664%0.63640%0.402SS*.Hα-helixtrans-61.2-36.3-177.7-84.1-12.6000112.6L46 K47D43-L46 PolarHBondContact O-N 3.46Å; D43-K47 WeakPolarHBondContact O-CG 3.25Å; D43-K47 PolarHBondContact O-N 2.93Å
44Q83.6Confident86.5Confident66 Ų6687.8 Ų87.831%0.30841%0.413SS..Hα-helixtrans-71.8-44.8-178.1-170.566.52.700110.9D42 L46 K47 N48 L556D42-Q44 VanDerWaalsContact C-N 3.3Å; D42-Q44 PolarHBondContact O-N 3.23Å; D42-Q44 PolarHBondContact OD1-N 2.68Å; Q44-L46 VanDerWaalsContact C-N 3.32Å; Q44-K47 PolarHBondContact O-N 2.78Å; Q44-N48 VanDerWaalsContact O-CG 3.29Å; Q44-N48 PolarHBondContact O-N 3.28Å; Q44-N48 PolarHBondContact O-ND2 2.75Å; Q44-L556 HydrophobicContact CB-CD2 4.47Å; Q44-L556 HydrophobicContact CG-CD2 4.06Å
45Q83.3Confident86.2Confident91 Ų9187.2 Ų87.243%0.42541%0.412SS..Hα-helixtrans-62.6-38.3170-80.5-158.9-12.600112.6I40 D42 K47 N48 M49 A554I40-Q45 HydrophobicContact CG2-CB 3.75Å; D42-Q45 HydrophobicContact CB-CB 4.26Å; D42-Q45 PolarHBondContact O-N 3.42Å; D42-Q45 WeakPolarHBondContact OD2-CB 3.36Å; D42-Q45 WeakPolarHBondContact OD2-CG 3.32Å; D42-Q45 PolarHBondContact OD2-N 2.86Å; D42-Q45 VanDerWaalsContact OD2-N 3.12Å; Q45-K47 PolarHBondContact O-N 3.25Å; Q45-N48 PolarHBondContact O-N 3.28Å; Q45-M49 WeakPolarHBondContact O-CB 2.97Å; Q45-M49 WeakPolarHBondContact O-CG 3.26Å; Q45-M49 PolarHBondContact O-N 3.17Å; Q45-A554 HydrophobicContact CG-CB 4.36Å
46L88.1Confident86.1Confident36 Ų3687.6 Ų87.619%0.18841%0.414CS..Hα-helixtrans-61.6-43.5177.2-17170000111L36 P37 I40 D42 D43 Q44 S50L36-L46 HydrophobicContact CB-CD1 3.94Å; L36-L46 HydrophobicContact CD2-CD1 3.94Å; L36-L46 HydrophobicContact CG-CD1 3.83Å; P37-L46 HydrophobicContact CB-CD1 4.44Å; P37-L46 HydrophobicContact CB-CD2 4.44Å; P37-L46 HydrophobicContact CG-CD1 4.14Å; P37-L46 HydrophobicContact CG-CD2 4.27Å; I40-L46 HydrophobicContact CB-CD1 4.48Å; D42-L46 VanDerWaalsContact O-CB 3.32Å; D42-L46 WeakPolarHBondContact O-CB 3.39Å; D42-L46 PolarHBondContact O-N 2.82Å; D43-L46 PolarHBondContact O-N 3.46Å; Q44-L46 VanDerWaalsContact C-N 3.32Å; L46-S50 WeakPolarHBondContact O-CB 3.45Å; L46-S50 PolarHBondContact O-N 2.88Å; L46-S50 PolarHBondContact O-OG 2.77Å
47K88.3Confident86Confident82 Ų8289.4 Ų89.436%0.35743%0.43SS..Hα-helixtrans-63.2-40.6173.9-78.6-172179.5-170.40113D43 Q44 Q45 S50 G51 Q52D43-K47 WeakPolarHBondContact O-CG 3.25Å; D43-K47 PolarHBondContact O-N 2.93Å; Q44-K47 PolarHBondContact O-N 2.78Å; Q45-K47 PolarHBondContact O-N 3.25Å; K47-S50 WeakPolarHBondContact CA-OG 3.28Å; K47-S50 PolarHBondContact O-OG 3.12Å; K47-G51 PolarHBondContact O-N 2.87Å; K47-Q52 HydrophobicContact CG-CB 4.49Å; K47-Q52 PolarHBondContact O-N 3.43Å; K47-Q52 VanDerWaalsContact O-N 3.11Å
48N86.7Confident85.9Confident46 Ų4690.3 Ų90.325%0.24643%0.427CS..Hα-helixtrans-68.5-44.1179-72.1-21.2000111.9Q44 Q45 G51 A554Q44-N48 VanDerWaalsContact O-CG 3.29Å; Q44-N48 PolarHBondContact O-N 3.28Å; Q44-N48 PolarHBondContact O-ND2 2.75Å; Q45-N48 PolarHBondContact O-N 3.28Å; N48-G51 PolarHBondContact O-N 2.92Å; N48-A554 VanDerWaalsContact ND2-CB 3.31Å; N48-A554 WeakPolarHBondContact ND2-CB 3.36Å
49M85.7Confident85.8Confident93 Ų9386.8 Ų86.846%0.45842%0.423SS..Hα-helixtrans-81.4-23-177.5-70.3-158.864.300114R32 L36 I40 Q45 G51R32-M49 PolarHBondContact NH1-O 3.36Å; R32-M49 PolarHBondContact NH2-O 3.27Å; L36-M49 HydrophobicContact CD2-CB 3.72Å; I40-M49 HydrophobicContact CD1-CB 4.21Å; I40-M49 HydrophobicContact CD1-CE 4.24Å; I40-M49 HydrophobicContact CD1-CG 4.14Å; I40-M49 HydrophobicContact CD1-SD 3.23Å; I40-M49 WeakPolarHBondContact CD1-SD 3.48Å; Q45-M49 WeakPolarHBondContact O-CB 2.97Å; Q45-M49 WeakPolarHBondContact O-CG 3.26Å; Q45-M49 PolarHBondContact O-N 3.17Å; M49-G51 VanDerWaalsContact C-N 3.34Å
50S89.9Confident86Confident16 Ų1688.1 Ų88.111%0.11243%0.429CS..Hα-helixtrans-81.2-16.1170.259.60000112.8L46 K47 Q52L46-S50 WeakPolarHBondContact O-CB 3.45Å; L46-S50 PolarHBondContact O-N 2.88Å; L46-S50 PolarHBondContact O-OG 2.77Å; K47-S50 WeakPolarHBondContact CA-OG 3.28Å; K47-S50 PolarHBondContact O-OG 3.12Å; S50-Q52 PolarHBondContact O-N 3.47Å; S50-Q52 WeakPolarHBondContact OG-CB 3.31Å; S50-Q52 PolarHBondContact OG-N 2.94Å
51G88.6Confident86.1Confident19 Ų1997.1 Ų97.120%0.19646%0.461CS..THydrogen-bonded Turntrans73.312.5-17200000113.5K47 N48 M49 W53 F54 Y55K47-G51 PolarHBondContact O-N 2.87Å; N48-G51 PolarHBondContact O-N 2.92Å; M49-G51 VanDerWaalsContact C-N 3.34Å; G51-W53 VanDerWaalsContact C-N 3.25Å; G51-W53 PolarHBondContact O-N 2.95Å; G51-F54 WeakPolarHBondContact O-CB 3.32Å; G51-F54 PolarHBondContact O-N 3.2Å; G51-Y55 WeakPolarHBondContact O-CD2 3.2Å; G51-Y55 PolarHBondContact O-N 3.42Å
52Q87.4Confident86Confident101 Ų10192 Ų9247%0.47244%0.44SS..Hα-helixtrans-59.1-35.9-176.5-173.3151.7-17.100112.7K47 S50 F54 Y55 E56K47-Q52 HydrophobicContact CG-CB 4.49Å; K47-Q52 PolarHBondContact O-N 3.43Å; K47-Q52 VanDerWaalsContact O-N 3.11Å; S50-Q52 PolarHBondContact O-N 3.47Å; S50-Q52 WeakPolarHBondContact OG-CB 3.31Å; S50-Q52 PolarHBondContact OG-N 2.94Å; Q52-F54 PolarHBondContact O-N 3.27Å; Q52-Y55 PolarHBondContact O-N 3.35Å; Q52-Y55 VanDerWaalsContact O-N 3.16Å; Q52-E56 WeakPolarHBondContact O-CG 3.35Å; Q52-E56 PolarHBondContact O-N 3.37Å
53W89.3Confident85.5Confident142 Ų142100 Ų10054%0.53846%0.464SS..Hα-helixtrans-57.4-35.1174.576.4-90.8000112.8G51 A57G51-W53 VanDerWaalsContact C-N 3.25Å; G51-W53 PolarHBondContact O-N 2.95Å; W53-A57 WeakPolarHBondContact O-CB 3.34Å; W53-A57 PolarHBondContact O-N 3.3Å
54F87.5Confident84.8Confident111 Ų111100.7 Ų100.749%0.48747%0.468SS..Hα-helixtrans-70.3-41.7179.1174-96.3000111.1G51 Q52 A57 K58G51-F54 WeakPolarHBondContact O-CB 3.32Å; G51-F54 PolarHBondContact O-N 3.2Å; Q52-F54 PolarHBondContact O-N 3.27Å; F54-A57 PolarHBondContact O-N 3.41Å; F54-K58 VanDerWaalsContact O-CB 3.28Å; F54-K58 WeakPolarHBondContact O-CB 3.41Å; F54-K58 PolarHBondContact O-N 3.4Å
55Y84Confident84.3Confident141 Ų141107.5 Ų107.555%0.55350%0.496SS*.Hα-helixtrans-68.6-36.9176.6-69.1-74.3000112.1G51 Q52 K58 A59G51-Y55 WeakPolarHBondContact O-CD2 3.2Å; G51-Y55 PolarHBondContact O-N 3.42Å; Q52-Y55 PolarHBondContact O-N 3.35Å; Q52-Y55 VanDerWaalsContact O-N 3.16Å; Y55-K58 PolarHBondContact O-N 2.81Å; Y55-A59 WeakPolarHBondContact O-CB 3.5Å; Y55-A59 PolarHBondContact O-N 2.8Å
56E85.6Confident84Confident78 Ų78108.5 Ų108.536%0.36450%0.504SS..Hα-helixtrans-63.4-46.3172.3-71.9176.9-169.300111.6Q52 A59 K60Q52-E56 WeakPolarHBondContact O-CG 3.35Å; Q52-E56 PolarHBondContact O-N 3.37Å; E56-A59 PolarHBondContact O-N 3.36Å; E56-K60 WeakPolarHBondContact O-CG 3.46Å; E56-K60 PolarHBondContact O-N 2.84Å; E56-K60 VanDerWaalsContact O-N 3.11Å
57A86.2Confident83.6Confident49 Ų49110.3 Ų110.341%0.40551%0.511SS..Hα-helixtrans-63.6-41.5176.500000112.2W53 F54 K60 R61W53-A57 WeakPolarHBondContact O-CB 3.34Å; W53-A57 PolarHBondContact O-N 3.3Å; F54-A57 PolarHBondContact O-N 3.41Å; A57-K60 PolarHBondContact O-N 2.94Å; A57-R61 PolarHBondContact O-N 2.89Å
58K84.1Confident83.5Confident91 Ų91108.4 Ų108.440%0.39652%0.515SS..Hα-helixtrans-61.8-43.5175.6-175.8179.2177.8178.40111.4F54 Y55 K60 R61 H62F54-K58 VanDerWaalsContact O-CB 3.28Å; F54-K58 WeakPolarHBondContact O-CB 3.41Å; F54-K58 PolarHBondContact O-N 3.4Å; Y55-K58 PolarHBondContact O-N 2.81Å; K58-K60 VanDerWaalsContact C-N 3.29Å; K58-K60 PolarHBondContact O-N 2.99Å; K58-R61 PolarHBondContact O-N 2.82Å; K58-H62 PolarHBondContact O-N 2.85Å
59A84.1Confident83.5Confident72 Ų72106.7 Ų106.760%0.59551%0.507SS*.Hα-helixtrans-64.9-31.1178.400000112.8Y55 E56Y55-A59 WeakPolarHBondContact O-CB 3.5Å; Y55-A59 PolarHBondContact O-N 2.8Å; E56-A59 PolarHBondContact O-N 3.36Å
60K86.5Confident83.6Confident186 Ų186105.7 Ų105.781%0.80950%0.503SS*.Hα-helixtrans-70.1-32.4174.2-72.7177.4-178.9178.50112.9E56 A57 K58E56-K60 WeakPolarHBondContact O-CG 3.46Å; E56-K60 PolarHBondContact O-N 2.84Å; E56-K60 VanDerWaalsContact O-N 3.11Å; A57-K60 PolarHBondContact O-N 2.94Å; K58-K60 VanDerWaalsContact C-N 3.29Å; K58-K60 PolarHBondContact O-N 2.99Å
61R84.2Confident83.5Confident212 Ų212107.5 Ų107.580%0.851%0.511SS*.Hα-helixtrans-91-34.9-175.6-161.5178.9-164-172.25.8113.7A57 K58A57-R61 PolarHBondContact O-N 2.89Å; K58-R61 PolarHBondContact O-N 2.82Å
62H80.4Confident83.5Confident102 Ų102109.1 Ų109.147%0.47252%0.515SS..  trans-120.3120.1-174.1-59.2-77.6000110.3K58 D64K58-H62 PolarHBondContact O-N 2.85Å; H62-D64 PolarHBondContact O-N 2.89Å
63R76.3Confident83.6Confident247 Ų247108 Ų10893%0.93251%0.506SS*.  trans-69.6-21.5174.9-72.8-175.6176.8170.1-1.5112.8K65R63-K65 PolarHBondContact O-N 2.83Å
64D70.3Confident83.4Confident133 Ų133103.6 Ų103.671%0.71150%0.5SS*.  trans-80.8117.5-176.4-62.9-36.8000111.7H62H62-D64 PolarHBondContact O-N 2.89Å
65K73.1Confident83.4Confident209 Ų20998.9 Ų98.991%0.90948%0.481SS*.  trans-88-3.1176.8-63-175.1179.3-174.70113.5R63 H67R63-K65 PolarHBondContact O-N 2.83Å; K65-H67 PolarHBondContact O-N 2.81Å
66I77.2Confident83.4Confident112 Ų11293.3 Ų93.357%0.57446%0.46SS*.  trans-80.8121.6-173.4-48.6176.8000109.1D70 I71I66-D70 HydrophobicContact CG2-CB 4.45Å; I66-I71 HydrophobicContact CB-CD1 4.47Å; I66-I71 HydrophobicContact CB-CG1 4.46Å; I66-I71 HydrophobicContact CG2-CD1 4.07Å; I66-I71 HydrophobicContact CG2-CG1 3.55Å
67H80.5Confident83Confident74 Ų7498.8 Ų98.834%0.34348%0.477SS..  trans-73.3140.6179-158.779.7000110.4K65 A69 D70 I71K65-H67 PolarHBondContact O-N 2.81Å; H67-A69 PolarHBondContact O-N 3.43Å; H67-D70 WeakPolarHBondContact CB-OD2 3.44Å; H67-D70 WeakPolarHBondContact O-CB 3.32Å; H67-D70 PolarHBondContact O-N 3.39Å; H67-I71 PolarHBondContact O-N 2.89Å
68G85.2Confident81.9Confident42 Ų42105 Ų10543%0.43349%0.49SS..Hα-helixtrans-55-39.7-178.500000112.9D70 I71 I72G68-D70 VanDerWaalsContact C-N 3.27Å; G68-D70 PolarHBondContact O-N 3.05Å; G68-I71 PolarHBondContact O-N 2.8Å; G68-I72 WeakPolarHBondContact O-CG1 3.19Å; G68-I72 PolarHBondContact O-N 2.93Å; G68-I72 VanDerWaalsContact O-N 3.11Å
69A87.9Confident80.8Confident10 Ų10104.9 Ų104.98%0.08349%0.49CS..Hα-helixtrans-60.2-33.5175.800000113.1L19 H67 I72 R73L19-A69 HydrophobicContact CD2-CB 3.72Å; H67-A69 PolarHBondContact O-N 3.43Å; A69-I72 PolarHBondContact O-N 2.8Å; A69-R73 WeakPolarHBondContact O-CB 3.38Å; A69-R73 VanDerWaalsContact O-CG 3.31Å; A69-R73 WeakPolarHBondContact O-CG 3.47Å; A69-R73 PolarHBondContact O-N 2.99Å
70D86.7Confident79.3Confident72 Ų72110.1 Ų110.139%0.38550%0.499SS..Hα-helixtrans-73.5-35.3179-60.4-33.1000111.6I66 H67 G68 R73 A74I66-D70 HydrophobicContact CG2-CB 4.45Å; H67-D70 WeakPolarHBondContact CB-OD2 3.44Å; H67-D70 WeakPolarHBondContact O-CB 3.32Å; H67-D70 PolarHBondContact O-N 3.39Å; G68-D70 VanDerWaalsContact C-N 3.27Å; G68-D70 PolarHBondContact O-N 3.05Å; D70-R73 IonicContact OD1-CZ 3.51Å; D70-R73 IonicContact OD1-NE 3.06Å; D70-R73 IonicContact OD1-NH2 2.98Å; D70-R73 PolarHBondContact OD1-NH2 3.16Å; D70-A74 VanDerWaalsContact O-CB 3.26Å; D70-A74 WeakPolarHBondContact O-CB 3.31Å; D70-A74 PolarHBondContact O-N 3.26Å
71I88.4Confident76.9Confident55 Ų55108.7 Ų108.728%0.28250%0.5SS..Hα-helixtrans-63.4-46174.5-56.2175.1000109.6I2 I66 H67 G68 A74 S75I2-I71 HydrophobicContact CD1-CB 4.48Å; I2-I71 HydrophobicContact CD1-CG2 3.64Å; I2-I71 HydrophobicContact CG1-CG2 3.74Å; I66-I71 HydrophobicContact CB-CD1 4.47Å; I66-I71 HydrophobicContact CB-CG1 4.46Å; I66-I71 HydrophobicContact CG2-CD1 4.07Å; I66-I71 HydrophobicContact CG2-CG1 3.55Å; H67-I71 PolarHBondContact O-N 2.89Å; G68-I71 PolarHBondContact O-N 2.8Å; I71-A74 PolarHBondContact O-N 2.79Å; I71-S75 WeakPolarHBondContact O-CB 3.16Å; I71-S75 PolarHBondContact O-N 3.43Å; I71-S75 PolarHBondContact O-OG 3.21Å
72I89.5Confident74.5Confident52 Ų52104.1 Ų104.127%0.26750%0.497SS..Hα-helixtrans-66.4-46178.9-59.8178.5000110.6I2 L4 I15 L19 G68 A69 A74 S75 M76I2-I72 HydrophobicContact CD1-CG1 4.37Å; L4-I72 HydrophobicContact CD1-CG2 4.07Å; I15-I72 HydrophobicContact CG2-CG2 3.82Å; L19-I72 HydrophobicContact CD1-CB 4.36Å; L19-I72 HydrophobicContact CD1-CG2 3.81Å; G68-I72 WeakPolarHBondContact O-CG1 3.19Å; G68-I72 PolarHBondContact O-N 2.93Å; G68-I72 VanDerWaalsContact O-N 3.11Å; A69-I72 PolarHBondContact O-N 2.8Å; I72-A74 VanDerWaalsContact C-N 3.34Å; I72-A74 PolarHBondContact O-N 2.97Å; I72-S75 PolarHBondContact O-N 2.66Å; I72-M76 HydrophobicContact CG2-CG 4.37Å; I72-M76 HydrophobicContact CG2-SD 4.12Å; I72-M76 WeakPolarHBondContact O-CG 3.49Å; I72-M76 PolarHBondContact O-N 2.85Å
73R87.8Confident72.1Confident79 Ų79104.4 Ų104.430%0.29852%0.517SS..Hα-helixtrans-58.8-43.2176.9-78-171.9-75.7-144.52.3112.4L19 A69 D70 M76 R77L19-R73 HydrophobicContact CD1-CG 3.9Å; A69-R73 WeakPolarHBondContact O-CB 3.38Å; A69-R73 VanDerWaalsContact O-CG 3.31Å; A69-R73 WeakPolarHBondContact O-CG 3.47Å; A69-R73 PolarHBondContact O-N 2.99Å; D70-R73 IonicContact OD1-CZ 3.51Å; D70-R73 IonicContact OD1-NE 3.06Å; D70-R73 IonicContact OD1-NH2 2.98Å; D70-R73 PolarHBondContact OD1-NH2 3.16Å; R73-M76 PolarHBondContact O-N 3.37Å; R73-R77 WeakPolarHBondContact O-CG 3.5Å; R73-R77 PolarHBondContact O-N 2.96Å; R73-R77 VanDerWaalsContact O-N 3.08Å
74A86.6Confident70Confident48 Ų4896.8 Ų96.840%0.39751%0.507SS..Hα-helixtrans-65.1-40.2177.200000111.9D70 I71 I72D70-A74 VanDerWaalsContact O-CB 3.26Å; D70-A74 WeakPolarHBondContact O-CB 3.31Å; D70-A74 PolarHBondContact O-N 3.26Å; I71-A74 PolarHBondContact O-N 2.79Å; I72-A74 VanDerWaalsContact C-N 3.34Å; I72-A74 PolarHBondContact O-N 2.97Å
75S87.1Confident68Low12 Ų1299.5 Ų99.58%0.08452%0.515CS..Hα-helixtrans-64.3-40.8175.5-77.40000112.5M1 I2 I71 I72M1-S75 VanDerWaalsContact CG-OG 3.29Å; M1-S75 WeakPolarHBondContact CG-OG 3.29Å; I2-S75 PolarHBondContact N-OG 2.75Å; I2-S75 VanDerWaalsContact N-OG 3.07Å; I2-S75 VanDerWaalsContact O-CB 3.3Å; I2-S75 WeakPolarHBondContact O-CB 3.44Å; I2-S75 PolarHBondContact O-OG 3.47Å; I71-S75 WeakPolarHBondContact O-CB 3.16Å; I71-S75 PolarHBondContact O-N 3.43Å; I71-S75 PolarHBondContact O-OG 3.21Å; I72-S75 PolarHBondContact O-N 2.66Å
76M83.2Confident66.2Low24 Ų2497.5 Ų97.512%0.11851%0.513CS..Hα-helixtrans-72.2-34.4179.7-70-177.274.100113.5L4 Q12 I15 L16 L19 I72 R73 R78 K79L4-M76 HydrophobicContact CD1-CG 3.86Å; Q12-M76 HydrophobicContact CB-CE 3.75Å; Q12-M76 HydrophobicContact CG-CE 4.18Å; Q12-M76 WeakPolarHBondContact O-CE 3.28Å; I15-M76 HydrophobicContact CB-SD 4.42Å; I15-M76 HydrophobicContact CG2-SD 3.79Å; L16-M76 HydrophobicContact CB-CE 4.19Å; L19-M76 HydrophobicContact CD1-SD 4.17Å; I72-M76 HydrophobicContact CG2-CG 4.37Å; I72-M76 HydrophobicContact CG2-SD 4.12Å; I72-M76 WeakPolarHBondContact O-CG 3.49Å; I72-M76 PolarHBondContact O-N 2.85Å; R73-M76 PolarHBondContact O-N 3.37Å; M76-R78 PolarHBondContact O-N 3.2Å; M76-K79 PolarHBondContact O-N 2.91Å
77R77.3Confident64.1Low194 Ų19496.9 Ų96.973%0.73253%0.525SS*.Hα-helixtrans-61.2-27.8178.5-78.3176.6-178.4168.3-0.4113.2R73 K79 K80R73-R77 WeakPolarHBondContact O-CG 3.5Å; R73-R77 PolarHBondContact O-N 2.96Å; R73-R77 VanDerWaalsContact O-N 3.08Å; R77-K79 PolarHBondContact O-N 3.42Å; R77-K80 PolarHBondContact O-N 3.21Å
78R64.4Low61.9Low180 Ų18099.2 Ų99.268%0.67954%0.544SS*.THydrogen-bonded Turntrans-69.8-19.1176.7-69.9-160.2170.8-160.2-3.6113.7M76M76-R78 PolarHBondContact O-N 3.2Å
79K59.3Low59.7Low87 Ų87103.6 Ų103.638%0.37856%0.562SS.*THydrogen-bonded Turntrans-82.7-17.1177.9-121.8-180174.91740113.1L4 S5 L7 M76 R77 L81L4-K79 PolarHBondContact O-NZ 3.14Å; S5-K79 VanDerWaalsContact C-NZ 3.31Å; S5-K79 PolarHBondContact O-NZ 3.43Å; L7-K79 PolarHBondContact O-NZ 3.01Å; L7-K79 VanDerWaalsContact O-NZ 3.09Å; M76-K79 PolarHBondContact O-N 2.91Å; R77-K79 PolarHBondContact O-N 3.42Å; K79-L81 VanDerWaalsContact C-N 3.31Å; K79-L81 PolarHBondContact O-N 2.93Å
80K54.5Low57.3Low183 Ų183111 Ų11180%0.79659%0.594SS**  trans-92.629.3-175.8-151.5-179.8179.7177.90114.1R77 P82R77-K80 PolarHBondContact O-N 3.21Å; K80-P82 VanDerWaalsContact C-CD 3.45Å; K80-P82 WeakPolarHBondContact O-CD 3.35Å
81L34.3Very low54.9Low156 Ų156115.7 Ų115.782%0.81761%0.614SS**  trans-99.894.7160.9-74.2166.9000107.5K79K79-L81 VanDerWaalsContact C-N 3.31Å; K79-L81 PolarHBondContact O-N 2.93Å
82P35.7Very low52.5Low116 Ų116117.6 Ų117.675%0.75363%0.63SS**  trans-81.4151.4162.733.5-29.3000109.9K80K80-P82 VanDerWaalsContact C-CD 3.45Å; K80-P82 WeakPolarHBondContact O-CD 3.35Å
83A29.3Very low50.2Low107 Ų107124.2 Ų124.288%0.88466%0.66SS**  trans-44.4134.2-171.900000117.1
84A31.6Very low47.9Very low88 Ų88127.8 Ų127.873%0.72769%0.685SS**  trans-155.5123.1139.700000106.9
85E29.6Very low45.6Very low189 Ų189133 Ų13388%0.88371%0.707SS**  trans63.5109.2171.6-61.2172.8158.600114.6
86I35.4Very low43.3Very low168 Ų168138.3 Ų138.386%0.86274%0.738SS**  -152.3110.875.8-72.2145.9000107.6
87A31.4Very low41.2Very low99 Ų99144.5 Ų144.582%0.81877%0.772SS**  trans-124.298161.700000106.2
88V34.4Very low39.7Very low122 Ų122141.6 Ų141.674%0.73978%0.778SS**  trans-155.799.2166.8179.10000104.1
89V39.6Very low38.6Very low134 Ų134138.2 Ų138.281%0.81279%0.789SS**  80.5138.192.8170.70000112.7
90E37.8Very low37.5Very low165 Ų165137.9 Ų137.977%0.77181%0.81SS**  trans-53.2153.8-178.5-54.6176.1130.600115.7
91E34.9Very low37Very low172 Ų172135 Ų13580%0.80481%0.809SS**  155.8150.5112.9-89.1-90.710700110.7
92P38.6Very low37.1Very low95 Ų95133.3 Ų133.362%0.61781%0.811SS**  trans-87.4150.6-177.535.4-30.6000113.5D94P92-D94 PolarHBondContact O-N 3.45Å
93E42.3Very low37.4Very low190 Ų190133 Ų13389%0.88881%0.812SS**  trans11.795.4148.5-51.1-177.6173.100115.9
94D37.9Very low38.1Very low154 Ų154131.9 Ų131.982%0.82480%0.797SS**  73.698.984.7-143.413.4000113.3P92P92-D94 PolarHBondContact O-N 3.45Å
95D39.1Very low38.6Very low159 Ų159134.3 Ų134.385%0.8580%0.798SS**  trans-171.3130.5143.9-99.8-31.7000111.7
96T38.9Very low39.4Very low122 Ų122131.5 Ų131.575%0.74879%0.793SS**SBendtrans102.184.4163.2-26.30000118.8
97D39.6Very low39.6Very low154 Ų154129.9 Ų129.982%0.82479%0.786SS**  trans45.4101.1136.1-60.7-32.8000121.2
98P45.8Very low40.5Very low134 Ų134131 Ų13187%0.8779%0.785SS**  trans-114.4160.1173.439.1-31000115.6
99A39.7Very low40.7Very low109 Ų109129.6 Ų129.690%0.90179%0.786SS**  trans-145.5129.8174.100000114.4
100G36.6Very low40.7Very low79 Ų79128.6 Ų128.681%0.81479%0.785SS**  trans101.2105.2147.500000119.8
101P43.7Very low40.9Very low122 Ų122125.2 Ų125.279%0.79278%0.78SS**  trans-122.3152.9174.239.3-29.3000115.3
102S38Very low41.5Very low121 Ų121123 Ų12385%0.84678%0.777SS**  trans162.8157.7143.748.60000115.4
103S42.1Very low41.6Very low111 Ų111125.8 Ų125.878%0.77679%0.786SS**  trans87.7133.9156-152.30000116.4
104S42.3Very low41.5Very low83 Ų83123.4 Ų123.458%0.5878%0.779SS**  cis171.5161.21.645.30000109.3
105L43.6Very low41.8Very low139 Ų139123.2 Ų123.273%0.72878%0.775SS**  trans77.7140.3148.9-76.7151.8000116.5
106V45.3Very low42Very low129 Ų129120.5 Ų120.578%0.78277%0.768SS**  cis-163.316336.3-1230000112.9
107D40.1Very low41.9Very low134 Ų134123.3 Ų123.372%0.71777%0.773SS**  trans-145.2175.3-158-53.3-98.4000111.7
108P50.3Low41.6Very low123 Ų123124.3 Ų124.380%0.79977%0.773SS**  cis-134.6-114.4-45.737.7-17.7000111
109A38Very low41Very low93 Ų93122.6 Ų122.677%0.76976%0.764SS**  trans90.3136.4159.700000117.3
110S40.3Very low40.6Very low113 Ų113124 Ų12479%0.7976%0.762SS**  cis-164.6167.520.361.30000107.2
111S42.5Very low40.6Very low94 Ų94132.3 Ų132.366%0.65777%0.768SS**  cis-173.7144.929.961.20000111.9
112V47.2Very low40.1Very low124 Ų124132.8 Ų132.875%0.75277%0.769SS**  trans61.3120.7143.9-60.10000120.8
113I41.2Very low39.9Very low154 Ų154132.4 Ų132.479%0.7976%0.764SS**  cis99.3136.532.8-60.2163.4000113.8
114D38.3Very low39.4Very low141 Ų141132.4 Ų132.475%0.75477%0.77SS**  trans104.1130.4152.4-124.97.5000117.2
115M46.2Very low39Very low149 Ų149134.7 Ų134.773%0.73478%0.781SS**  cis-153.715328.3-68.8166.865.400113.9
116S41.6Very low38.5Very low102 Ų102133 Ų13371%0.71378%0.78SS**  trans62.5109.8149.750.90000120.2
117Q36.5Very low38.1Very low182 Ų182134.8 Ų134.885%0.8579%0.785SS**  48.3128.864.3-70.6-168.2-500113.3
118E34.1Very low37.8Very low175 Ų175134.5 Ų134.582%0.81879%0.79SS**  cis-170151.643.5-164.7174.9156.900112.6
119S32.9Very low37Very low97 Ų97138.1 Ų138.168%0.67879%0.793SS**  trans60.8101.5150.7170.30000121.3
120T32Very low36.9Very low139 Ų139142.8 Ų142.885%0.85380%0.799SS**  trans-152.3121.5131.92.50000110.9T122T120-T122 PolarHBondContact O-N 3.49Å
121R35.7Very low36.5Very low253 Ų253148.6 Ų148.696%0.95580%0.804SS**PPolyproline II helixtrans-61.9122.3178-73.4173.3169.3165-3.5110.8
122T33.2Very low36.4Very low132 Ų132153.8 Ų153.881%0.8182%0.815SS**PPolyproline II helixtrans-91.2142173.940.30000111.8T120T120-T122 PolarHBondContact O-N 3.49Å
123P35.6Very low35.9Very low114 Ų114153.3 Ų153.374%0.7481%0.808SS**PPolyproline II helixtrans-81.6132.716932.3-28.5000109.6V125P123-V125 PolarHBondContact O-N 3.39Å
124A29.5Very low36Very low110 Ų110151.2 Ų151.291%0.90980%0.804SS**  trans-66.5100.5174.200000110.2
125V35.3Very low36Very low131 Ų131153 Ų15379%0.79481%0.806SS**  trans-83.4120.9170.21760000108.8P123P123-V125 PolarHBondContact O-N 3.39Å
126S33.4Very low35.6Very low103 Ų103153 Ų15372%0.7281%0.809SS**  trans-42.8132.2-18051.50000115.8
127L35.7Very low35.5Very low167 Ų167153.1 Ų153.187%0.87481%0.809SS**  trans-46.2127.8160.5-74.4141.6000112K129L127-K129 PolarHBondContact O-N 2.83Å; L127-K129 VanDerWaalsContact O-N 3.16Å
128P33.9Very low35.6Very low128 Ų128150.9 Ų150.983%0.83181%0.81SS**  trans-75.7109.5169.327.9-27.2000109.4Q130P128-Q130 PolarHBondContact O-N 3.31Å
129K34.1Very low35.8Very low199 Ų199152 Ų15287%0.86581%0.813SS**  trans-31.5124.1169.8-101.9167173.9168.10113.5L127 R131L127-K129 PolarHBondContact O-N 2.83Å; L127-K129 VanDerWaalsContact O-N 3.16Å; K129-R131 PolarHBondContact O-N 2.94Å
130Q34.7Very low35.9Very low191 Ų191155.7 Ų155.789%0.89382%0.824SS**  trans-59112.6166.3-158.8179.31000109.5P128 K132P128-Q130 PolarHBondContact O-N 3.31Å; Q130-K132 PolarHBondContact O-N 3.11Å
131R33.5Very low36.1Very low236 Ų236154.9 Ų154.989%0.89182%0.821SS**PPolyproline II helixtrans-76.5116.1175.8-72.3176.486.3155.52.6109.6K129K129-R131 PolarHBondContact O-N 2.94Å
132K39Very low36Very low203 Ų203151.8 Ų151.888%0.88382%0.817SS**PPolyproline II helixtrans-70.4142.3168-80.7179.6173.9179.50110.8Q130Q130-K132 PolarHBondContact O-N 3.11Å
133N36.8Very low35.9Very low113 Ų113152 Ų15260%0.60481%0.814SS**PPolyproline II helixtrans-66.1126.5176.6-176.8-2000110.5F135N133-F135 PolarHBondContact O-N 3.06Å; N133-F135 VanDerWaalsContact O-N 3.16Å; N133-F135 PolarHBondContact OD1-N 3.13Å
134P43.7Very low35.9Very low111 Ų111155 Ų15572%0.72182%0.817SS**THydrogen-bonded Turntrans-72.50.3-177.5-14.628.8000116
135F39Very low35.9Very low179 Ų179154.7 Ų154.779%0.78581%0.809SS**THydrogen-bonded Turntrans-110.414.7-171.5-70.1-79.7000115N133N133-F135 PolarHBondContact O-N 3.06Å; N133-F135 VanDerWaalsContact O-N 3.16Å; N133-F135 PolarHBondContact OD1-N 3.13Å
136N37Very low35.9Very low149 Ų149155.1 Ų155.180%0.79781%0.806SS**  trans-142.892.1174.2-113.3-0000110.9
137S39.1Very low36.1Very low103 Ų103157.4 Ų157.472%0.7281%0.805SS**  trans-163.3132.8158.546.20000109.2
138P40.2Very low36.1Very low135 Ų135157.7 Ų157.788%0.87780%0.802SS**  trans-73.9139.6-174.332-32.5000110.2
139K37.5Very low36.1Very low199 Ų199158.1 Ų158.187%0.86580%0.802SS**  trans-94116175.3-77.7-171176.1-173.70110.5
140L34.4Very low36.2Very low175 Ų175158.3 Ų158.392%0.91680%0.803SS**  trans-130.7133141.5-81.9170.2000105.9
141P37.6Very low36.3Very low121 Ų121155.4 Ų155.479%0.78680%0.801SS**  trans-126.5126.7162.127-9.7000112.4
142E32.4Very low36.5Very low188 Ų188153.6 Ų153.688%0.87980%0.802SS**  trans-79146164.2-71.5177.1147.500111.8
143D32Very low36.5Very low138 Ų138152.6 Ų152.674%0.73880%0.801SS**  trans43.5132.3147.3-75.3-15.7000124
144H35.3Very low36.5Very low176 Ų176152.2 Ų152.282%0.81581%0.807SS**  177.3131.1107.5-83.1-56.8000113.7
145S29.7Very low36.3Very low104 Ų104156.6 Ų156.673%0.72782%0.815SS**  trans73.1138.1146.282.30000118.7
146L35.5Very low36Very low140 Ų140154.2 Ų154.273%0.73382%0.815SS**  cis-166.5150.348.9-84.8162.1000113.3
147Q36.5Very low35.9Very low150 Ų150150.7 Ų150.770%0.70181%0.814SS**  trans81.5116.1138-76.2172.421.700124.7
148Q36Very low35.9Very low173 Ų173155.5 Ų155.581%0.80882%0.822SS**  trans60.7122.7134.1-66.3179.5-0.900119
149T34.1Very low35.8Very low138 Ų138153.9 Ų153.985%0.84782%0.82SS**  -167.7150.972.9-51.50000111.5
150K36.7Very low35.7Very low202 Ų202148 Ų14888%0.87882%0.816SS**  trans-49.7140.8-168.1-80172.2168.41750119.7
151P37Very low35.9Very low131 Ų131146.3 Ų146.385%0.85181%0.807SS**  trans-111.1-168.516241.9-33000114.3
152E36.9Very low35.8Very low197 Ų197148.3 Ų148.392%0.92180%0.804SS**  trans-132.7155.5-169-140.6178.9173.800115.2
153Q38.5Very low35.8Very low183 Ų183147.1 Ų147.186%0.85580%0.798SS**  trans-72.9156.1-174-63.3168-17.300112.5
154S38.2Very low36Very low105 Ų105147.1 Ų147.173%0.73480%0.796SS**  171.4139.57355.50000113.2
155K38.9Very low36Very low203 Ų203143.5 Ų143.588%0.88379%0.791SS**  36.1139.2129.9-78.8179.4-178.7178.50120
156T32.1Very low36.4Very low129 Ų129146.8 Ų146.879%0.79179%0.792SS**  cis-178.9148.518.4-71.30000110
157G35.2Very low36.3Very low75 Ų75148 Ų14877%0.77379%0.794SS**  trans90.9144.7151.100000117.8
158K39.6Very low36.2Very low204 Ų204144.3 Ų144.389%0.88780%0.796SS**  cis-175.71429.3178.6-179.4179.9-178.20109.5
159A37.9Very low36Very low101 Ų101144.4 Ų144.484%0.83580%0.796SS**  trans54.3144.9153.600000120.9
160G35.4Very low36.1Very low75 Ų75144.6 Ų144.677%0.77379%0.792SS**  cis-178.5-176.97.100000108.5
161L38.2Very low35.9Very low140 Ų140139.2 Ų139.273%0.73378%0.78SS**  cis-167.5147.8-8.6178.563.6000109.1
162F35Very low35.9Very low163 Ų163141.9 Ų141.972%0.71578%0.78SS**  trans64.2154.3179.5-55130.3000116.9
163Q34.1Very low36Very low162 Ų162137.4 Ų137.476%0.75777%0.771SS**  cis94121.74.1-138.4175.426.400115.1
164I35.5Very low35.8Very low138 Ų138138 Ų13871%0.70877%0.771SS**  170.1117.193.5-78.1156.3000106.1
165S36Very low35.8Very low101 Ų101142.3 Ų142.371%0.70678%0.779SS**  81.1117.994.4-42.70000119
166K36.5Very low35.7Very low173 Ų173141.9 Ų141.975%0.75278%0.777SS**  trans63.3133.7132-78.8-172.6161.2-137.60125.7
167E33.3Very low35.9Very low166 Ų166140.6 Ų140.678%0.77677%0.774SS**  trans81.4140.2134.5-78.7167.1-162.500123.2
168G34.3Very low35.9Very low71 Ų71141.6 Ų141.673%0.73277%0.769SS**  trans117.189.8161.400000115
169E33.2Very low35.9Very low175 Ų175139.5 Ų139.582%0.81877%0.766SS**  71.4126.590.5-105.1-169.1139.100118
170L35.7Very low36Very low143 Ų143139.7 Ų139.775%0.74976%0.758SS**  trans64.6147.5150.9-57.5164.6000117.7
171S32.8Very low36.1Very low89 Ų89143.6 Ų143.662%0.62276%0.762SS**  cis-177.1158.1-7.4-101.50000106.5
172E36.3Very low36Very low186 Ų186145.1 Ų145.187%0.86977%0.767SS**  trans65.6149.4153.8-72.9177.3167.500118.9
173S38.5Very low36.2Very low103 Ų103141.9 Ų141.972%0.7276%0.762SS**  cis-169.6161.3-3.347.40000108.6
174K35.8Very low36.3Very low196 Ų196144.9 Ų144.985%0.85277%0.767SS**  trans8.7135.3156.5-78172.1172.1169.80119.4
175E36.9Very low36.4Very low196 Ų196146.3 Ų146.392%0.91677%0.771SS**  -178.1-179.497.8-124.2174.6174.100112.8
176K36.5Very low36.5Very low193 Ų193149.7 Ų149.784%0.83978%0.775SS**  trans-123.5161.6-141-164.7174.3-174.4-179.90111
177S37.5Very low36.3Very low103 Ų103147.7 Ų147.772%0.7277%0.772SS**  trans112.3132.3144.177.50000121
178S35.1Very low36.5Very low95 Ų95148.3 Ų148.366%0.66478%0.775SS**  trans56.3121.9145.749.80000120.8
179I38.5Very low36.2Very low161 Ų161154.4 Ų154.483%0.82678%0.781SS**  cis71.612637-54.2169.5000111.6
180P41Very low36.4Very low104 Ų104151.1 Ų151.168%0.67578%0.775SS**  cis-141.9-161.932.934.4-9.1000118.3
181D36.8Very low36.2Very low158 Ų158153.8 Ų153.885%0.84578%0.78SS**  trans104.6116.3144.5-69.7-26.5000124.5
182M37Very low36.2Very low172 Ų172157.7 Ų157.785%0.84779%0.789SS**  trans-89.9175.6166.2-156.1164.768.100107.9
183P39Very low35.9Very low95 Ų95155.1 Ų155.162%0.61779%0.786SS**  cis-162.7-1753342.1-15.6000121.8
184R35.7Very low35.7Very low224 Ų224156.3 Ų156.385%0.84579%0.789SS**  trans97.5143.7130.6-102.1174.9-172179.42.1124
185Q38.2Very low35.6Very low169 Ų169152 Ų15279%0.7978%0.784SS**  trans100.6106.8154.5-72.6170.6-1.700117.7
186Q36.9Very low35.5Very low171 Ų171149.2 Ų149.280%0.79978%0.78SS**  72.5138.878.5-88.8-153.830.700112.1
187L34.2Very low35.2Very low132 Ų132147.9 Ų147.969%0.69178%0.776SS**  cis-171.8165.811.1-173.870.3000107.7
188E35.9Very low35.3Very low178 Ų178148.2 Ų148.283%0.83278%0.776SS**  trans104.5129.8153.4-56.8-154.2158.700122.2
189K29.3Very low35.3Very low200 Ų200151 Ų15187%0.8778%0.779SS**  trans-113.3-171.7176.1-98.4-177.8176.8178.20106.8
190P37Very low35.1Very low105 Ų105150.6 Ų150.668%0.68278%0.778SS**  cis-132.4171.8-49.737.5-21.1000112.3
191K32.3Very low34.9Very low199 Ų199149.5 Ų149.587%0.86578%0.778SS**  trans164.5155.4135.7-93.7176.6178.4-177.10114.4
192Q31.3Very low34.9Very low172 Ų172146.9 Ų146.980%0.80477%0.772SS**  trans-67.5164.6-167.6-66.4156.1-58.300117.4
193T30Very low34.9Very low131 Ų131147.6 Ų147.680%0.80477%0.773SS**  175.9105.2128.8-64.50000108.1
194V34.6Very low34.9Very low129 Ų129150.6 Ų150.678%0.78279%0.79SS**  70.1131.289.5-179.30000116.5
195S33.7Very low35.1Very low106 Ų106149.5 Ų149.574%0.74179%0.791SS**  trans136.4128.1152.2-65.70000110.8
196T34.4Very low35.3Very low136 Ų136145.5 Ų145.583%0.83479%0.787SS**  cis-166.2150.513.5-55.30000110
197E31.2Very low36Very low165 Ų165143.5 Ų143.577%0.77179%0.789SS**  trans-73.9178.4173.6-112.6-173.4165.500113.9
198P38.8Very low36.6Very low111 Ų111144.4 Ų144.472%0.72179%0.793SS**  cis-151.2166.740.643-20.7000121.5
199E34.5Very low37.4Very low152 Ų152141.9 Ų141.971%0.7179%0.792SS**  trans33.1124.4139.2-57.2-164.6148.100124.9
200N36.3Very low38.4Very low153 Ų153142 Ų14282%0.81879%0.792SS**  -175.5126.6101.2-108.3-46.1000115.9
201A36.6Very low38.8Very low82 Ų82141.6 Ų141.668%0.67880%0.798SS**  trans61.8116.2139.100000124.4
202S36.2Very low39.3Very low102 Ų102144.2 Ų144.271%0.71380%0.802SS**  104.8108.3121.975.20000121.9
203H37.7Very low40.2Very low188 Ų188145.2 Ų145.287%0.8780%0.804SS**  trans49.299138.6-56.5-68.3000121.1
204T38.1Very low41Very low157 Ų157147.4 Ų147.496%0.96381%0.81SS**  trans-109.4109.9158.620.40000112.5
205K40Very low41.2Very low202 Ų202148 Ų14888%0.87881%0.807SS**PPolyproline II helixtrans-76.9143.1174.3-133.1171-175.1172.90110.6
206A42.5Very low41.4Very low84 Ų84153.7 Ų153.769%0.69481%0.814SS**PPolyproline II helixtrans-60145.7173.200000112.7I208A206-I208 PolarHBondContact O-N 3.17Å
207P51Low41.7Very low130 Ų130155.7 Ų155.784%0.84481%0.811SS**PPolyproline II helixtrans-80.9120.3-172.830.8-31.2000112.1
208I46.5Very low42.1Very low150 Ų150153.3 Ų153.377%0.76981%0.812SS**PPolyproline II helixtrans-82.7126.7171.5-61.5165.6000109.1A206 K210A206-I208 PolarHBondContact O-N 3.17Å; I208-K210 PolarHBondContact O-N 2.69Å
209P53.6Low42.1Very low125 Ų125154.3 Ų154.381%0.81281%0.812SS**PPolyproline II helixtrans-75.6116.8177.227.7-30000111.4
210K50.5Low42.1Very low203 Ų203154.9 Ų154.988%0.88382%0.82SS**PPolyproline II helixtrans-75.7141.4173.6-83.3178.2176172.10112.1I208I208-K210 PolarHBondContact O-N 2.69Å
211A45.6Very low42.2Very low96 Ų96155 Ų15579%0.79382%0.819SS**PPolyproline II helixtrans-62.3132.5173.500000112.4K213A211-K213 PolarHBondContact O-N 3.01Å
212R41.4Very low42.2Very low255 Ų255157.3 Ų157.396%0.96282%0.816SS**  trans-74110.7169-81.6178.6172.4156.7-1.7109.7
213K51.3Low42.3Very low192 Ų192161 Ų16184%0.83582%0.819SS**  trans-88.7126157.7-79.9-174175.3-1780108.7A211 I215A211-K213 PolarHBondContact O-N 3.01Å; K213-I215 PolarHBondContact O-N 3.02Å
214L47.3Very low42.3Very low178 Ų178158.7 Ų158.793%0.93281%0.813SS**  trans-70114.7164.4-89.4152.3000107.9
215I38.9Very low42.2Very low140 Ų140157 Ų15772%0.71880%0.799SS**  trans-102.3115.4167.4-62.6174.9000106.6K213 K217K213-I215 PolarHBondContact O-N 3.02Å; I215-K217 HydrophobicContact CG2-CG 4.48Å
216Y37Very low42.1Very low226 Ų226153.8 Ų153.889%0.88679%0.791SS**  trans-68.3120159.5-112.6-97.7000107.3
217K40.9Very low42Very low178 Ų178158.3 Ų158.377%0.77480%0.798SS**  trans-96.1110.6167-87.4-170.4173.9-174.10108.6I215I215-K217 HydrophobicContact CG2-CG 4.48Å
218S39.9Very low41.1Very low115 Ų115156 Ų15680%0.80478%0.784SS**  trans-101.6117.6151.344.20000106.6
219N38.5Very low40.6Very low133 Ų133158.2 Ų158.271%0.71179%0.789SS**  trans-96.2125167.9-78.1-6.9000106.9
220D34.3Very low39.9Very low164 Ų164157.8 Ų157.888%0.87779%0.786SS**  trans-164.3120.3151-97.1-27.2000109.5
221L38.1Very low39.3Very low154 Ų154159.8 Ų159.881%0.80679%0.788SS**  trans175123.1149.9-129.369.9000105.6
222E36.8Very low39.1Very low131 Ų131162.6 Ų162.661%0.61279%0.785SS**  -172.3151.660.9-93.3-89.8124.700110.2
223K37.5Very low38.9Very low180 Ų180160.9 Ų160.978%0.78378%0.778SS**  trans67124.3157.3-71.6166.3176.8165.90116.9
224D38.1Very low38.3Very low139 Ų139161.7 Ų161.774%0.74378%0.776SS**  -165.9152.254.2-155.66.7000111.9
225D36.9Very low38Very low123 Ų123159.3 Ų159.366%0.65876%0.764SS**  trans60.1117.8151.1-89-11.6000125.9
226N37.2Very low38Very low134 Ų134157.4 Ų157.472%0.71776%0.764SS**  93.1124.9128.8-73.8-40.8000123.4
227Q40Very low38.4Very low179 Ų179153.1 Ų153.184%0.83676%0.756SS**  trans9896.5153.1-68.2-178.96.800121.2
228S33.9Very low38.4Very low80 Ų80151.6 Ų151.656%0.55976%0.756SS**  43126.8125.861.60000119.7
229F35.4Very low38.3Very low197 Ų197150.4 Ų150.486%0.86475%0.753SS**  -169.7155.758.7-83.6-83.8000112.2
230P39.3Very low38.4Very low117 Ų117156.4 Ų156.476%0.7677%0.766SS**  trans-116.8162.3-177.440-28.6000115.7
231R38.1Very low38.5Very low244 Ų244152 Ų15292%0.92176%0.76SS**  trans-167.5110.8153.5-113.1177176.4-174.8-0.3109.4
232Q40.1Very low38.6Very low155 Ų155149.6 Ų149.672%0.72476%0.761SS**  91.1127.862.2-107.6-163.810.700116.5
233R37.1Very low38.7Very low219 Ų219149.3 Ų149.383%0.82677%0.771SS**  trans104.7105.3158.2-63.3-172.6-174.8175.5-0.1116.2
234R39.7Very low38.9Very low210 Ų210152.6 Ų152.679%0.79278%0.779SS**  63.8125.563.5-118.5-167.7-82.4145.7-8111.1
235D40.9Very low38.8Very low127 Ų127149.2 Ų149.268%0.67978%0.777SS**  -163.2136.556.9-77.9-49.8000110.7
236S38.7Very low38.9Very low101 Ų101151.5 Ų151.571%0.70679%0.787SS**  75.713296.9110.30000113.9
237L44.6Very low39.1Very low136 Ų136152 Ų15271%0.71279%0.789SS**  cis-174155.134.6-97159.5000111.6
238N40.6Very low39.2Very low145 Ų145150.9 Ų150.978%0.77578%0.781SS**  trans73.7135.4148.8-60.7-21.2000119.9
239A39.6Very low39.6Very low91 Ų91157.4 Ų157.475%0.75279%0.793SS**  cis-161152.113.300000113.3
240R38.6Very low39.4Very low258 Ų258155.8 Ų155.897%0.97479%0.794SS**  trans36.4137.6147-89.9176.4170.4-128.9-1.7120.8
241G37.4Very low39.3Very low73 Ų73156.1 Ų156.175%0.75380%0.799SS**  cis170.7139400000112.3
242A39.2Very low39.1Very low102 Ų102149.8 Ų149.884%0.84379%0.792SS**  trans49.1125.715200000123.8
243P40.4Very low38.8Very low125 Ų125148 Ų14881%0.81280%0.797SS**  trans-107143.316336.8-25.6000112.9
244R40.9Very low38.6Very low250 Ų250143 Ų14394%0.94380%0.796SS**  trans-146131.5162.8-65.6-175.8100140.20.5109.6
245G36.1Very low38.5Very low68 Ų68138.8 Ų138.870%0.70180%0.798SS**  trans-81.3-179.2179.900000114.3
246I39.9Very low38.3Very low170 Ų170139.4 Ų139.487%0.87281%0.807SS**  trans-179.7126.9140.4-85.2145.2000109
247L40.1Very low38.1Very low145 Ų145141.7 Ų141.776%0.75981%0.811SS**  trans11.9144.8141.2-135.977.7000122.1
248K43Very low37.8Very low155 Ų155140.7 Ų140.767%0.67482%0.816SS**  trans99.8126.5138.1-102.4178.3-175.4170.20120.1
249R43Very low37.5Very low217 Ų217142.7 Ų142.782%0.81982%0.82SS**  trans103.7127136-73.5171161.3162.7-6.8119.4
250N30.6Very low37.4Very low163 Ų163145 Ų14587%0.87283%0.825SS**  trans-53.3146.9168.4-61.3-9.7000112.3
251S37.3Very low37.2Very low124 Ų124140.4 Ų140.487%0.86782%0.819SS**  trans-154.6130.8146.8-81.10000110.5
252S32.9Very low37.2Very low111 Ų111147.9 Ų147.978%0.77683%0.825SS**  trans-67.9152.9159.4-50.40000110.6
253S35.1Very low37Very low119 Ų119150 Ų15083%0.83282%0.821SS**  151.8143.2126.4-78.80000113.7
254S31.4Very low36.6Very low114 Ų114150.2 Ų150.280%0.79782%0.815SS**  trans-56.3152.217451.90000115.5
255S38.3Very low36.6Very low120 Ų120149.7 Ų149.784%0.83982%0.815SS**  trans-159130.2139.846.10000110.3
256T35.8Very low36.4Very low141 Ų141153 Ų15387%0.86582%0.816SS**  trans-94.4156.4156.341.90000108.5
257D35.2Very low36.5Very low149 Ų149153.4 Ų153.480%0.79782%0.819SS**  trans119.7119.2152-153.911.2000114
258S39.2Very low36.3Very low115 Ų115153.3 Ų153.380%0.80482%0.82SS**  trans174.293.6155.5-76.30000109.4
259E33.1Very low36.5Very low186 Ų186151.6 Ų151.687%0.86982%0.824SS**  trans-95.4127.2147.4-76.9-163.2140.100108.8
260T37.8Very low36.2Very low140 Ų140149.9 Ų149.986%0.85982%0.823SS**  trans-156.1126.5152.9-8.80000110.9
261L34.4Very low36.9Very low161 Ų161148.1 Ų148.184%0.84382%0.823SS**  trans-55.8145.7177-62.9161.1000113.4
262R37.9Very low36.9Very low231 Ų231150.6 Ų150.687%0.87282%0.818SS**  179.9137.3127.8-102.5174.8-179.1112.2-0.3115
263L35.4Very low37.3Very low146 Ų146152.9 Ų152.976%0.76482%0.82SS**  trans93.693.5142.4-68.1157000121.4
264N32.2Very low37.3Very low129 Ų129154.4 Ų154.469%0.6982%0.818SS**  25.9126.3128-70.8-15000121.2
265Y39.4Very low37.7Very low240 Ų240153.8 Ų153.894%0.94181%0.814SS**  trans-138.4122.1133.5-97.3-85.6000110.2
266N33.5Very low37.9Very low137 Ų137154.9 Ų154.973%0.73382%0.818SS**  trans-74.2145.7173.8-70.4-64.3000111
267L40.5Very low37.9Very low178 Ų178151.5 Ų151.593%0.93281%0.811SS**  trans-165.2122.8136-125.990.4000109.2
268D36.5Very low38.1Very low143 Ų143152.7 Ų152.777%0.76582%0.817SS**  trans-131.9146.1172.6-165.629.1000107
269P47.4Very low38.2Very low119 Ų119153 Ų15377%0.77381%0.814SS**  trans-135.2130.7144.931.3-14.8000114.2
270K36.8Very low38.7Very low182 Ų182152.4 Ų152.479%0.79182%0.815SS**  trans-48.7143.7169.3-66.1166.8174.5165.90115.1
271S44.2Very low38.6Very low125 Ų125153.6 Ų153.687%0.87481%0.81SS**  trans-140.9124.6138.861.10000111.1
272K37.6Very low38.8Very low177 Ų177153.8 Ų153.877%0.7781%0.807SS**  trans-77.1158.4-178.1-61.4171.6175.6179.70112.2
273I42.9Very low38.9Very low158 Ų158154.2 Ų154.281%0.8181%0.808SS**  trans168.7100.5138.2-82.1150.3000105.9
274L35.1Very low38.9Very low152 Ų152154.4 Ų154.480%0.79681%0.808SS**  55.7124.890.5-81149.9000112.8
275S39.2Very low39.2Very low101 Ų101153.5 Ų153.571%0.70681%0.813SS**  cis-163.7154.610.4-58.10000110.4
276P41.5Very low39Very low142 Ų142150.4 Ų150.492%0.92281%0.806SS**  trans-117175.9179.942.6-34.1000115.9
277G36.2Very low39.2Very low70 Ų70152.3 Ų152.372%0.72281%0.808SS**  trans-159.2132.2164.200000108.9
278L40Very low39.1Very low175 Ų175151.2 Ų151.292%0.91680%0.798SS**  -159.4135.272.2-138.181.8000110.6
279T39.9Very low38.9Very low120 Ų120154.1 Ų154.174%0.73681%0.805SS**  trans-63.6143.1170.635.80000115.1
280I43.7Very low38.4Very low175 Ų175153.5 Ų153.590%0.89780%0.803SS**  -146.9130.6123.8-58.8-169.9000108
281H36.4Very low38.5Very low164 Ų164151.9 Ų151.976%0.75980%0.802SS**  trans-120.5167.1-170.8-141-89.8000110
282E39.3Very low38.3Very low165 Ų165154.1 Ų154.177%0.77180%0.799SS**  trans73.5120.3156.7-66-171.9121.800120.7
283R38.7Very low38.4Very low241 Ų241152.9 Ų152.991%0.90980%0.801SS**  -166.5140.683.3-103.6-171.6-169.5144.23.3112.7
284I35.8Very low38Very low149 Ų149152.2 Ų152.276%0.76480%0.799SS**  trans-106.2143.3175-61.4160.1000107.5E286I284-E286 HydrophobicContact CG2-CG 4.28Å
285S38.4Very low37.9Very low111 Ų111150 Ų15078%0.77680%0.796SS**  trans-175.8108.8141.667.10000107.4
286E36.5Very low37.7Very low174 Ų174150.3 Ų150.381%0.81380%0.798SS**  62.9138.372.1-69.6-165.3179.600116.2I284I284-E286 HydrophobicContact CG2-CG 4.28Å
287K37.4Very low37.5Very low178 Ų178150.7 Ų150.777%0.77480%0.798SS**  trans89.1134.3177.8-75.5-176.4154.8-149.30116.6
288E38.4Very low37.3Very low154 Ų154153 Ų15372%0.7280%0.804SS**  cis-160.7156.921.2-129.8155.5-158.300111.8
289F31.1Very low37.1Very low204 Ų204150.4 Ų150.490%0.89580%0.8SS**  trans-75.3153.3179.4-88.6-110.8000114.3
290S36.4Very low37.1Very low106 Ų106152.5 Ų152.574%0.74181%0.806SS**  trans-156116.2135.769.10000109
291L39.5Very low36.6Very low148 Ų148151.7 Ų151.778%0.77580%0.798SS**  57.8114.995.6-121.291.2000110.9
292E41.3Very low37Very low173 Ų173149 Ų14981%0.80880%0.795SS**  -169.6169.258.1-72.6-160.1156.300108.5
293D38.6Very low36.7Very low150 Ų150147.6 Ų147.680%0.80279%0.792SS**  cis-167.1149.1-30.2-170.113.6000104.1
294D33.9Very low36.9Very low144 Ų144144.7 Ų144.777%0.7779%0.786SS**  trans-70.8155.1-173.1-92-52.1000113.5
295S34Very low36.9Very low106 Ų106146.2 Ų146.274%0.74179%0.79SS**  160111.2114.652.50000115.5
296S34.2Very low36.8Very low108 Ų108146.4 Ų146.476%0.75579%0.786SS**  trans45.1116135.364.30000121.9
297T37.6Very low36.7Very low149 Ų149148.9 Ų148.991%0.91479%0.788SS**  trans-134.3125.5131.444.60000111
298S33.1Very low36.6Very low120 Ų120149.8 Ų149.884%0.83979%0.792SS**  trans-71.9137.2170.652.80000112
299S34.6Very low36.8Very low119 Ų119146.6 Ų146.683%0.83279%0.787SS**  trans-157.9128.5139.381.70000111.8
300L39.5Very low37Very low165 Ų165141.8 Ų141.886%0.86479%0.785SS**  trans-66162.3178.7-72.3158.4000113.7
301E34.1Very low37Very low157 Ų157143.2 Ų143.273%0.73479%0.789SS**  trans-31.9160.2176.8-69.1177.1130.100117.8
302P44.1Very low37Very low108 Ų108145.1 Ų145.170%0.70179%0.791SS**  -134.5129.9107.731.6-19.3000114K304P302-K304 PolarHBondContact O-N 2.86Å
303L34Very low36.8Very low136 Ų136144.1 Ų144.171%0.71279%0.791SS**  trans-29.1118.3146.4-78.5133.1000111.9
304K42Very low36.6Very low180 Ų180145.8 Ų145.878%0.78379%0.794SS**  trans-137107.5155.7-73-169.2179.3176.70110.4P302 V306P302-K304 PolarHBondContact O-N 2.86Å; K304-V306 PolarHBondContact O-N 2.92Å
305H36.1Very low36.9Very low181 Ų181146.8 Ų146.884%0.83880%0.799SS**  trans-42128.6157.3-79.460.7000110.6
306V36.4Very low36.9Very low115 Ų115147.2 Ų147.270%0.69780%0.799SS**  trans-127.1108.4158.9-179.60000108.1K304 F308K304-V306 PolarHBondContact O-N 2.92Å; V306-F308 HydrophobicContact CG1-CE2 4.03Å; V306-F308 HydrophobicContact CG1-CZ 4.27Å
307R34.8Very low36.9Very low225 Ų225151.8 Ų151.885%0.84981%0.808SS**  trans-80.9122.4176.9-175.1-176.5-168132.1-1.1107.9
308F35.3Very low37Very low198 Ų198150.1 Ų150.187%0.86880%0.803SS**  trans-99.397161.5-74.8-77.1000108.7V306V306-F308 HydrophobicContact CG1-CE2 4.03Å; V306-F308 HydrophobicContact CG1-CZ 4.27Å
309S42.9Very low37.2Very low87 Ų87150 Ų15061%0.60880%0.799SS**  trans-78.7149.1168.946.40000111.2V311S309-V311 PolarHBondContact O-N 2.87Å
310A34.2Very low37.3Very low103 Ų103156 Ų15685%0.85180%0.803SS**  trans-50.8125.8173.200000112.4
311V36.8Very low37.2Very low135 Ų135153.4 Ų153.482%0.81880%0.797SS**  trans-91.3107.3169.2176.40000107.8S309S309-V311 PolarHBondContact O-N 2.87Å
312K39.7Very low37.3Very low189 Ų189152.2 Ų152.282%0.82280%0.8SS**  trans-79.1126.1160.8-170.8175.1-178.8-175.70106.7E314K312-E314 PolarHBondContact O-N 3.08Å
313N36.7Very low36.8Very low152 Ų152155.5 Ų155.581%0.81381%0.81SS**  trans-60.9114.5167.3-85.5-15.8000109.2
314E34.6Very low36.9Very low184 Ų184152.2 Ų152.286%0.8681%0.81SS**  trans-147149.3141.2-80.6-146.6138.500110.3K312K312-E314 PolarHBondContact O-N 3.08Å
315L39.4Very low36.7Very low166 Ų166152.5 Ų152.587%0.86981%0.814SS**  trans-51.7154.9-170.1-113.967.4000115.7
316P34.2Very low36.6Very low115 Ų115152.5 Ų152.575%0.74781%0.814SS**  trans-88.6137.8172.735-27.1000110.7
317Q35.6Very low36.8Very low203 Ų203153.2 Ų153.295%0.94982%0.819SS**  trans-162.7124.2140.8-107.3169.326.200110.7
318S38.4Very low36.7Very low115 Ų115145.3 Ų145.380%0.80481%0.807SS**  trans-89.4166.3178.766.20000111.8
319P37.9Very low36.7Very low117 Ų117144.3 Ų144.376%0.7681%0.805SS**  trans-110.8166.1-136.240-35.9000115.3
320R37.1Very low36.2Very low244 Ų244148 Ų14892%0.92181%0.81SS**  trans-163.5150.1132.5-107.5173.3-176.9176.62.3112.1
321P36.4Very low36.1Very low112 Ų112148.6 Ų148.673%0.72780%0.804SS**  trans-102165.3-15437-29.3000113.7
322V35.8Very low36.2Very low131 Ų131147.6 Ų147.679%0.79480%0.798SS**  159.9125.3128.5161.20000111.8
323L33.8Very low35.8Very low177 Ų177146.2 Ų146.293%0.92780%0.798SS**  trans91.4117.3152.1-136.468.6000122
324G37Very low35.7Very low68 Ų68147.5 Ų147.570%0.70180%0.799SS**  trans119.373.4150.400000116.3
325Q38.3Very low35.7Very low186 Ų186143.4 Ų143.487%0.86979%0.791SS**  76.688.3107.5-161.4163.6-7.600114.1
326E33.8Very low35.4Very low180 Ų180142.3 Ų142.384%0.84179%0.786SS**  53.2119.6100.6-95.4-168.6179.100113.3
327V39.2Very low35.4Very low131 Ų131143.8 Ų143.879%0.79478%0.783SS**  -167.4130.558.2170.30000107.5
328G34.5Very low35.4Very low58 Ų58140 Ų14060%0.59877%0.769SS**  69.482.695.700000112.9
329E33.6Very low35.3Very low178 Ų178141.7 Ų141.783%0.83276%0.764SS**  77-169.385.4-166.8161.4-141.800112.8
330F33.5Very low35.2Very low164 Ų164143 Ų14372%0.71977%0.765SS**  trans76.187163.5-70.7-82.9000121.9
331T32.5Very low35.2Very low116 Ų116134.6 Ų134.671%0.71275%0.754SS**  80.1147.9121.623.50000123.9
332V37.4Very low35.2Very low114 Ų114134.5 Ų134.569%0.69175%0.751SS**  trans81107.7141.1169.40000115.8
333L32.3Very low35.4Very low159 Ų159137 Ų13783%0.83275%0.754SS**  63.5149.695.2-72.5177.5000115.5
334E34.3Very low35.4Very low179 Ų179135.5 Ų135.584%0.83675%0.747SS**  trans75.3155.4172.7-70.9-167.111200116.2
335S33.8Very low35.4Very low99 Ų99136 Ų13669%0.69275%0.745SS**  cis-174.7161.8-24.5-94.10000104.1
336D33.7Very low35.2Very low142 Ų142130.8 Ų130.876%0.75974%0.74SS**  trans-22.9145.7166.5-101.9-23.3000119.8
337Q34.2Very low35.2Very low146 Ų146128.9 Ų128.968%0.68274%0.736SS**  trans90.1118.9132.8-81.2-165.993.700122
338L35.5Very low35.3Very low125 Ų125128.3 Ų128.365%0.65473%0.727SS**  97.3132.3125.6-73.8172.6000120.3
339Q36.2Very low35.4Very low150 Ų150133.3 Ų133.370%0.70174%0.735SS**  trans79.6108.6135.8-90.5176.69.700118.7
340N36.7Very low35.3Very low145 Ų145130.9 Ų130.978%0.77572%0.724SS**  172118.795.8-79.8-38.6000105.7
341G36.2Very low35.5Very low67 Ų67129.7 Ų129.769%0.69172%0.719SS**  83.9130.374.700000108.2
342T37.2Very low35.5Very low109 Ų109131.2 Ų131.267%0.66972%0.718SS**  cis179147.119.1-71.90000105.5
343E39.4Very low35.5Very low183 Ų183132.3 Ų132.386%0.85572%0.719SS**  trans64.8147.8152.5-76.1159.6-164.600118.9
344D35Very low35.8Very low147 Ų147132.8 Ų132.879%0.78672%0.717SS**  cis-174.4157.6-5.5179.328.9000106.7
345A36.7Very low35.9Very low79 Ų79129.7 Ų129.765%0.65371%0.712SS**  trans59.7119.4150.200000122.6
346G34.1Very low36Very low75 Ų75133.1 Ų133.177%0.77372%0.718SS**  trans77153.1133.900000116
347D33.9Very low35.9Very low140 Ų140133.5 Ų133.575%0.74972%0.719SS**  cis-173.5157.2-0.9-150.9-0.5000104.3
348I41.5Very low35.9Very low119 Ų119130.6 Ų130.661%0.6172%0.715SS**  trans70.6120.7145-72.5162.2000120.5
349E35Very low35.8Very low164 Ų164133 Ų13377%0.76672%0.722SS**  trans50.6153133.1-65179.916500120.1
350E32.6Very low35.8Very low127 Ų127136.1 Ų136.159%0.59373%0.733SS**  cis178.5167-9.1-178.6-179.7-179.200102.4
351F36.8Very low35.6Very low139 Ų139135.7 Ų135.761%0.6174%0.736SS**  trans93.496.7161.8-59.5-71.8000120.4
352Q33.8Very low35.8Very low148 Ų148138.8 Ų138.869%0.69274%0.744SS**  66.1115.9119-70.2174.33.400119.5
353N37Very low35.5Very low136 Ų136142 Ų14273%0.72776%0.756SS**  178.7122.5102.3-87.6-54.2000112.1
354H38.2Very low35.6Very low169 Ų169138.6 Ų138.678%0.78275%0.753SS**  trans12.7155.7148.3-53.7-73000121.9
355P37.3Very low35.5Very low114 Ų114139.9 Ų139.974%0.7475%0.754SS**  cis-143.8-172.8-18.541.3-20.2000116.7
356E35.1Very low35.8Very low171 Ų171146.5 Ų146.580%0.79976%0.763SS**  trans63.4104.2145.3-78.7-175.7159.900126.2
357L32.4Very low35.9Very low151 Ų151151.3 Ų151.379%0.79177%0.766SS**  75.788.8125.9-100107.6000123.9
358S32.7Very low35.9Very low85 Ų85153.1 Ų153.159%0.59477%0.774SS**  44.7116.4108.7-68.80000125.5
359H34.1Very low35.7Very low174 Ų174153.2 Ų153.281%0.80678%0.78SS**  72.4125.5124-55.7-53.9000123.4
360K35.6Very low35.7Very low216 Ų216151 Ų15194%0.93978%0.783SS**  trans-144.5128.8153.1-87.4-174178.6174.30112.8
361T32.4Very low36Very low137 Ų137150.5 Ų150.584%0.8479%0.793SS**  trans-130.2141165.6-32.40000106.7
362P40.7Very low36.2Very low132 Ų132149.5 Ų149.586%0.85780%0.801SS**  trans-101.3137-175.534.3-27.3000114.3
363L32.1Very low36.3Very low176 Ų176148.1 Ų148.192%0.92181%0.808SS**  trans-132.2132167-121152.2000105.9
364S40.2Very low36.3Very low111 Ų111149.3 Ų149.378%0.77681%0.814SS**  trans-115.9115.1177.357.40000111.3
365H34.3Very low36Very low174 Ų174147 Ų14781%0.80682%0.817SS**  trans-123.9145.1169.6-155.785.6000107.5
366Y41.1Very low36.1Very low219 Ų219144.8 Ų144.886%0.85981%0.814SS**  trans-86.3160.9179.8-73.9-88.5000111.9
367Q36.5Very low36.2Very low176 Ų176147.1 Ų147.182%0.82282%0.816SS**  trans-129.8148.7-170.8-63.8179-104.800112
368L34.8Very low36.4Very low177 Ų177146.5 Ų146.593%0.92781%0.809SS**  trans-103.9141.3152.7-116.492.3000108.7
369V36.3Very low36.6Very low121 Ų121151.9 Ų151.973%0.73382%0.816SS**  trans-91.4139.6-173.7171.30000111.4
370S36.3Very low36.6Very low119 Ų119150 Ų15083%0.83281%0.808SS**  trans-157.1127.5150.1-71.80000109.5
371S38.5Very low36.5Very low115 Ų115147.3 Ų147.380%0.80480%0.799SS**  trans-80.1136.9-176.1-54.90000112.4
372P40Very low36.5Very low118 Ų118147.6 Ų147.677%0.76679%0.794SS**  trans-107.9170.818040.2-35.2000114.7
373S37.5Very low36.1Very low120 Ų120149.2 Ų149.284%0.83979%0.792SS**  trans-152.1106.3160.5-41.70000106.7
374D36.9Very low36.2Very low161 Ų161145.7 Ų145.786%0.86178%0.782SS**  89.7115.291.6-158.517.5000112.3
375S31.6Very low35.9Very low120 Ų120145.4 Ų145.484%0.83978%0.78SS**  trans-158.9120.8170.366.20000109.2
376G39.6Very low35.8Very low67 Ų67140.7 Ų140.769%0.69178%0.779SS**  trans-116.212017100000111.7
377R37.3Very low35.6Very low220 Ų220136 Ų13683%0.8378%0.778SS**  trans56.2149.4141.8-73.5-177.2-179.1-123.39.1118.7
378E35Very low35.4Very low139 Ų139131.9 Ų131.965%0.6577%0.774SS**  cis-168.3166.9-6.6-122.2173.2140.500105.5
379R36.8Very low35.9Very low198 Ų198129 Ų12975%0.74777%0.767SS**  trans82.2115.5154.6-93.2-166.9167.2121.35.8121.4
380E34.8Very low35.8Very low135 Ų135133.3 Ų133.363%0.63177%0.769SS**  89.3110123.9-78.9169.6-164.600120.9
381Q33.8Very low35.8Very low159 Ų159132.8 Ų132.874%0.74376%0.758SS**  79.7117.4127.4-75.6-174.84.500121
382L32.1Very low35.5Very low142 Ų142134.8 Ų134.874%0.74375%0.754SS**  trans69.8114.9133.4-93.291.5000120.1
383M32.3Very low35.4Very low166 Ų166136 Ų13682%0.81875%0.753SS**  61.2114.3126-52.8-69.4-87.900117.4
384S35.1Very low35.5Very low102 Ų102135.6 Ų135.671%0.71375%0.747SS**  162.1126.793.5-161.10000111.7
385S32.3Very low35.4Very low105 Ų105133.4 Ų133.473%0.73474%0.743SS**  trans47.1128.6136.665.70000123.2
386G32.3Very low35.7Very low75 Ų75136 Ų13677%0.77374%0.742SS**  trans86.6138.6144.700000113.9
387S36.7Very low35.6Very low120 Ų120137 Ų13784%0.83974%0.738SS**  cis-172.5148.414.837.80000107.3
388A34.2Very low35.7Very low90 Ų90133.3 Ų133.374%0.74474%0.735SS**  trans-65.2-165.5170.900000112.5
389P43.5Very low35.9Very low118 Ų118134.2 Ų134.277%0.76674%0.742SS**  -129.1173.2-53.830.1-12.2000112.1
390R36.1Very low36Very low210 Ų210131.2 Ų131.279%0.79274%0.741SS**  trans152.5142.2135.5-95.5-173.7168.1-113.65.5113.6
391D35.6Very low36.6Very low109 Ų109130.4 Ų130.458%0.58375%0.747SS**  trans56.1141.4142.5-52.6-18.1000117.2
392E32.8Very low36.8Very low156 Ų156128.9 Ų128.973%0.72975%0.748SS**  cis-176.1148.78.3-119179.117600105.8
393I38.2Very low36.9Very low145 Ų145125.2 Ų125.274%0.74475%0.745SS**  trans81.6142.9144.7-61165.5000120.8
394P38.5Very low37.4Very low110 Ų110123.7 Ų123.771%0.71475%0.748SS**  trans-119.2169.4-155.937.9-19.6000116
395C35.7Very low37.1Very low115 Ų115128.1 Ų128.178%0.77776%0.757SS**  trans-159.8121.2163-97.90000110.2
396H37.9Very low37.5Very low175 Ų175129.4 Ų129.481%0.8177%0.765SS**  63.1135.692.8-80.1-79.6000114.6
397S37.1Very low37.7Very low88 Ų88131.5 Ų131.562%0.61576%0.762SS**  cis-178.9160.4-10.3350000106.8
398D39.7Very low37.5Very low143 Ų143133.9 Ų133.977%0.76576%0.76SS**  trans157.4142.7141.6-76.3-13.8000111.2
399I39.6Very low37.5Very low157 Ų157135.2 Ų135.281%0.80576%0.764SS**  cis-165.5153-18.6-99.2155.7000105.8
400L37.3Very low36.9Very low136 Ų136134.6 Ų134.671%0.71276%0.762SS**  trans-98.3-178.8-166.9-146.288.2000115.4
401P47.6Very low36.9Very low117 Ų117130.5 Ų130.576%0.7677%0.766SS**  -131.9155.789.512.710.5000114.5
402T38.1Very low36.9Very low127 Ų127131.7 Ų131.778%0.77978%0.777SS**  cis82131.645.5-54.90000111.7
403G35.4Very low37.2Very low66 Ų66131.7 Ų131.768%0.6878%0.78SS**  cis156.7175.75.600000108
404P41.4Very low36.8Very low133 Ų133132.7 Ų132.786%0.86479%0.787SS**  cis-140.3162.39.238.9-18.3000117.5
405Q29.3Very low36.5Very low196 Ų196131.2 Ų131.292%0.91679%0.792SS**  trans-116.8154.9154.3-97-173.710.100108.5
406C41.1Very low36.4Very low132 Ų132133.9 Ų133.989%0.89279%0.793SS**  trans-106.9168.9178.4-158.40000111.8
407V35.9Very low36Very low118 Ų118132.9 Ų132.972%0.71579%0.789SS**  trans-141.8164.4-157.4-130.10000115
408E32Very low35.9Very low171 Ų171136.8 Ų136.880%0.79980%0.797SS**  trans-9.9146.3157.9-72.2173.6146.600119.1
409S34.4Very low35.5Very low117 Ų117139.3 Ų139.382%0.81880%0.801SS**  -165.815482.5-660000115.7
410S32.3Very low35.2Very low106 Ų106137.1 Ų137.174%0.74180%0.8SS**  trans-47.7150.8178.450.90000120.5
411S36.2Very low34.9Very low124 Ų124135 Ų13587%0.86780%0.796SS**  -179.1154.5115.329.40000113.7
412V34.3Very low34.2Very low134 Ų134137.1 Ų137.181%0.81280%0.796SS**  trans-79.7148.7-164.8-177.80000112.6
413I38.4Very low33.9Very low156 Ų156138.6 Ų138.680%0.879%0.791SS**  160.4122.3125.4-76.5163.6000111.2
414N31Very low33.7Very low165 Ų165140.6 Ų140.688%0.88279%0.791SS**  trans6.2138.8155.4-86.8-5.8000121.5
415G33Very low33.2Very low79 Ų79143.3 Ų143.381%0.81479%0.789SS**  trans172.1115149.900000113.1
416Q31.8Very low33.4Very low171 Ų171141.2 Ų141.280%0.79978%0.783SS**  trans-61.6150.8-171.6-75.7169-87.500116.7
417Q30.5Very low33.1Very low155 Ų155140.1 Ų140.172%0.72478%0.775SS**  50114.8123.2-145176.8-9.400116.2
418E34.2Very low32.8Very low169 Ų169139.4 Ų139.479%0.7977%0.774SS**  -179.6125.983.8-82.8178.4153.600106.6
419K31Very low33Very low197 Ų197139.2 Ų139.286%0.85777%0.774SS**  65.3131.586.6-137.4177.8-169.5-1780115.4
420S33.9Very low32.8Very low111 Ų111140.2 Ų140.278%0.77677%0.769SS**  trans81.4147168.8850000115.1
421S31.8Very low32.8Very low90 Ų90139.8 Ų139.863%0.62977%0.766SS**  cis172.2157.3-15.950.60000104.7
422H33.2Very low32.9Very low163 Ų163142.9 Ų142.976%0.75576%0.764SS**  trans69.3150160.1-91-110.9000115.8
423F30.7Very low33.2Very low157 Ų157141.9 Ų141.969%0.68976%0.763SS**  cis-179.9157.3-15.4-137.5-101.1000102.9
424T30.7Very low33.2Very low108 Ų108140.5 Ų140.566%0.66376%0.764SS**  trans77.3121.5152.210.30000122.4
425K32.2Very low33.3Very low191 Ų191138.3 Ų138.383%0.8376%0.762SS**  80.2125126.6-98.9173.7177.7179.20121.8
426L32.1Very low33.6Very low151 Ų151142 Ų14279%0.79176%0.763SS**  trans-42.1150.9160.8-76.3105.4000114.8
427P34.8Very low34Very low110 Ų110141.7 Ų141.771%0.71476%0.761SS**  -89.6176.684.8-2841.8000116
428S30.9Very low34.4Very low102 Ų102141.5 Ų141.571%0.71377%0.765SS**  cis70.9131.921.9-43.70000113.4
429E35.7Very low34.5Very low168 Ų168138.1 Ų138.179%0.78576%0.756SS**  cis-165.1139.529.1-80.8-153.3135.200106.3
430L31Very low34.6Very low138 Ų138137 Ų13772%0.72375%0.754SS**  95.9141.973.8-143.6144.8000113.6
431S32.1Very low34.7Very low97 Ų97137.5 Ų137.568%0.67876%0.756SS**  trans88.6142.8161820000117.8
432K38.5Very low34.9Very low189 Ų189136.8 Ų136.882%0.82276%0.762SS**  cis-171.1150-0.6-106.7162.7-170.3174.50104.1
433S39.7Very low34.9Very low113 Ų113136.4 Ų136.479%0.7976%0.761SS**  -172.7143.272.547.30000111.8
434P38Very low35.3Very low126 Ų126134.7 Ų134.782%0.81877%0.765SS**  trans-93.3-166.9-166.541-40.3000115.5
435S34.2Very low35.4Very low119 Ų119137 Ų13783%0.83277%0.769SS**  trans-134163.4-174.8-52.30000113.1
436D39Very low35.7Very low157 Ų157133 Ų13384%0.8476%0.763SS**  trans-134.9-173.4169.6-116.8-55.1000108.4
437E39.6Very low35.8Very low164 Ų164131.1 Ų131.177%0.76676%0.762SS**  cis-148.2131.915.9-156.3-174.8155.100109.4
438L39.2Very low35.7Very low152 Ų152134.2 Ų134.280%0.79677%0.767SS**  trans166.294135-100.8129.1000113.5
439T35.4Very low35.7Very low98 Ų98135.6 Ų135.660%0.60177%0.771SS**  66.6107.3126.8-41.60000122.5
440Q34.6Very low35.7Very low174 Ų174132.4 Ų132.481%0.81377%0.773SS**  trans59.8145.5136.8-70.9174.4-29.900120.1
441C35.4Very low35.7Very low121 Ų121133 Ų13382%0.81878%0.777SS**  cis-172.8151.33.5-114.90000103.6
442G36.9Very low35.9Very low75 Ų75137.2 Ų137.277%0.77379%0.786SS**  cis-174.2154.410.100000109.4
443E32.2Very low35.4Very low154 Ų154133 Ų13372%0.7278%0.78SS**  trans-75.4-171.5-177.3-118.5-141.6115.400113.2E445E443-E445 WeakPolarHBondContact OE1-CG 3.17Å; E443-E445 PolarHBondContact OE1-N 3.47Å
444P38.2Very low35.3Very low121 Ų121137.4 Ų137.479%0.78679%0.785SS**  cis-146.7162.729.133.5-7.9000121.5
445E32.8Very low35.1Very low157 Ų157141.9 Ų141.973%0.73479%0.786SS**  trans-21.8152.7160.3-86.2-102.3113.400122.7E443E443-E445 WeakPolarHBondContact OE1-CG 3.17Å; E443-E445 PolarHBondContact OE1-N 3.47Å
446P40.1Very low35Very low108 Ų108142.2 Ų142.270%0.70178%0.779SS**  trans-103.8-175.517142.3-35.3000114.5
447S34.3Very low34.8Very low110 Ų110144.2 Ų144.277%0.76978%0.782SS**  trans-153.3130.2172.839.40000115.3
448Q32Very low34.4Very low176 Ų176147.3 Ų147.382%0.82279%0.787SS**  trans46.7137.6134.1-63.3-174.234.200124.5
449T30.3Very low34.1Very low130 Ų130149.7 Ų149.780%0.79879%0.794SS**  trans74.1113.8144.850.60000120.8
450A36.6Very low33.8Very low101 Ų101149 Ų14984%0.83581%0.806SS**  159.2134.5105.800000111.5
451D30.2Very low33.7Very low151 Ų151145.9 Ų145.981%0.80780%0.804SS**  trans-48.9142.8166.4-78-52.4000112.6
452H37.2Very low33.8Very low185 Ų185149.6 Ų149.686%0.85681%0.809SS**  -172.3122.3129.2-91.2-56.4000110.9
453S28.1Very low34Very low102 Ų102154.2 Ų154.271%0.71381%0.81SS**  trans-68.8134.5173.357.80000113
454F37Very low34.6Very low204 Ų204154.5 Ų154.590%0.89581%0.812SS**  trans-148.497.9149.1-86.6-75.1000111.9
455R34.1Very low34.9Very low221 Ų221152.9 Ų152.983%0.83479%0.793SS**  trans26.5117.4130.3-147.6175.3-166.6-178.85.2120.4
456D31.8Very low35.9Very low126 Ų126145.5 Ų145.567%0.67476%0.759SS**  trans43120.2140.7-63.2-42.8000121.6
457H35.7Very low36.7Very low198 Ų198144.1 Ų144.192%0.91775%0.75SS**  -155.8130.9113.2-107.6-53.7000113.8
458R30.5Very low37.6Very low229 Ų229140.3 Ų140.386%0.86472%0.723SS**  trans-68142.4-179.9-71.1174.7139.4-143-2.7115.4
459Q33Very low38.8Very low203 Ų203134.6 Ų134.695%0.94970%0.697SS**  trans-177.9117.7135.5-111.5165.3-33.500105.9
460G28.4Very low40.2Very low82 Ų82131.5 Ų131.585%0.84567%0.673SS**  cis115.281.548.100000107.7
461S33Very low41.3Very low110 Ų110129.1 Ų129.177%0.76965%0.648SS**  trans-143.2127.2165.469.50000110.4
462E38.2Very low42.3Very low198 Ų198124.6 Ų124.693%0.92562%0.623SS**  trans-88.6108.6-171.7-23.9-176.5157.500107.5E464E462-E464 PolarHBondContact O-N 3.37Å
463E40.7Very low43Very low172 Ų172119.7 Ų119.780%0.80460%0.601SS**  trans-77.9114.3175.9-78.4-178.1162.400110.5H465E463-H465 PolarHBondContact O-CD2 3.13Å; E463-H465 VanDerWaalsContact O-CD2 3.32Å; E463-H465 PolarHBondContact O-N 3.16Å
464E45.5Very low44.1Very low161 Ų161121.8 Ų121.875%0.75259%0.593SS**  trans-8099.5-176.7-162.2176.4177.300111.3E462 R842E462-E464 PolarHBondContact O-N 3.37Å; E464-R842 PolarHBondContact O-NH2 3.13Å
465H44.1Very low44.8Very low86 Ų86117.3 Ų117.340%0.39857%0.57SS.*  trans-58.9139.4179.7-63.8-109000112.9E463 K470 E473E463-H465 PolarHBondContact O-CD2 3.13Å; E463-H465 VanDerWaalsContact O-CD2 3.32Å; E463-H465 PolarHBondContact O-N 3.16Å; H465-K470 HydrophobicContact CB-CD 4.27Å; H465-K470 HydrophobicContact CB-CG 3.62Å; H465-K470 VanDerWaalsContact O-CD 3.32Å; H465-K470 WeakPolarHBondContact O-CD 3.4Å; H465-K470 WeakPolarHBondContact O-CE 3.37Å; H465-K470 PolarHBondContact O-NZ 3.13Å; H465-E473 IonicContact CE1-OE1 2.64Å; H465-E473 PolarHBondContact CE1-OE1 3.37Å; H465-E473 IonicContact CE1-OE2 3.3Å; H465-E473 IonicContact CG-OE2 2.78Å; H465-E473 VanDerWaalsContact ND1-CD 3.28Å; H465-E473 IonicContact ND1-OE1 3.83Å; H465-E473 PolarHBondContact ND1-OE1 3.31Å; H465-E473 IonicContact ND1-OE2 3.61Å; H465-E473 PolarHBondContact ND1-OE2 3.01Å
466S54Low45.3Very low2 Ų2109.6 Ų109.61%0.01455%0.554CS.*  trans-58.7152.1177.593.80000111.5V468 L469 K470 R842S466-V468 PolarHBondContact O-N 3.3Å; S466-V468 PolarHBondContact OG-N 3.17Å; S466-L469 PolarHBondContact O-N 3.42Å; S466-L469 WeakPolarHBondContact OG-CB 3.39Å; S466-L469 WeakPolarHBondContact OG-CG 3.35Å; S466-L469 PolarHBondContact OG-N 3.45Å; S466-K470 WeakPolarHBondContact O-CB 3.32Å; S466-K470 WeakPolarHBondContact O-CG 3.49Å; S466-K470 PolarHBondContact O-N 2.96Å; S466-R842 VanDerWaalsContact CB-CZ 3.43Å
467P55.5Low46.1Very low79 Ų79108 Ų10851%0.51356%0.558SS.*Hα-helixtrans-58.5-34.5178.9-19.830.3000112.8T471P467-T471 PolarHBondContact O-N 2.8Å; P467-T471 VanDerWaalsContact O-N 3.13Å; P467-T471 PolarHBondContact O-OG1 3.41Å
468V53Low46.8Very low31 Ų31108.5 Ų108.519%0.18855%0.552CS.*Hα-helixtrans-71.8-46.6179.3-172.60000110.5S466 T471 L472 P811 Y879S466-V468 PolarHBondContact O-N 3.3Å; S466-V468 PolarHBondContact OG-N 3.17Å; V468-T471 WeakPolarHBondContact O-CA 3.35Å; V468-T471 WeakPolarHBondContact O-CB 3.19Å; V468-T471 PolarHBondContact O-N 2.92Å; V468-L472 PolarHBondContact O-N 2.89Å; V468-P811 HydrophobicContact CG1-CG 4.11Å; V468-Y879 HydrophobicContact CG1-CE1 4.42Å; V468-Y879 HydrophobicContact CG1-CE2 3.96Å; V468-Y879 WeakPolarHBondContact CG1-OH 3.41Å
469L57.9Low47.5Very low56 Ų56104.5 Ų104.529%0.29354%0.541SS..Hα-helixtrans-65.4-39.7174-69.7178.6000111.9S466 T471 L472 E473 Y879S466-L469 PolarHBondContact O-N 3.42Å; S466-L469 WeakPolarHBondContact OG-CB 3.39Å; S466-L469 WeakPolarHBondContact OG-CG 3.35Å; S466-L469 PolarHBondContact OG-N 3.45Å; L469-T471 PolarHBondContact O-N 2.84Å; L469-T471 VanDerWaalsContact O-N 3.17Å; L469-L472 CarbonylContact O-C 3.5Å; L469-L472 PolarHBondContact O-N 3.13Å; L469-L472 VanDerWaalsContact O-N 3.11Å; L469-E473 VanDerWaalsContact O-CB 3.28Å; L469-E473 WeakPolarHBondContact O-CB 3.45Å; L469-E473 WeakPolarHBondContact O-CG 3.34Å; L469-E473 PolarHBondContact O-N 2.84Å; L469-Y879 HydrophobicContact CD2-CD1 4.09Å; L469-Y879 HydrophobicContact CD2-CE1 4.22Å
470K59.4Low47.9Very low65 Ų65101.9 Ų101.928%0.28353%0.533SS..Hα-helixtrans-60.2-27.1172-78.8174170.9142.30112.3H465 S466 R474H465-K470 HydrophobicContact CB-CD 4.27Å; H465-K470 HydrophobicContact CB-CG 3.62Å; H465-K470 VanDerWaalsContact O-CD 3.32Å; H465-K470 WeakPolarHBondContact O-CD 3.4Å; H465-K470 WeakPolarHBondContact O-CE 3.37Å; H465-K470 PolarHBondContact O-NZ 3.13Å; S466-K470 WeakPolarHBondContact O-CB 3.32Å; S466-K470 WeakPolarHBondContact O-CG 3.49Å; S466-K470 PolarHBondContact O-N 2.96Å; K470-R474 WeakPolarHBondContact O-CB 3.48Å; K470-R474 WeakPolarHBondContact O-CG 3.41Å; K470-R474 PolarHBondContact O-N 3.47Å; K470-R474 PolarHBondContact O-NH1 3Å
471T59.6Low48.1Very low50 Ų50103.1 Ų103.131%0.30753%0.526SS..Hα-helixtrans-81.4-37.9176.6-58.20000111.1P467 V468 L469 R475P467-T471 PolarHBondContact O-N 2.8Å; P467-T471 VanDerWaalsContact O-N 3.13Å; P467-T471 PolarHBondContact O-OG1 3.41Å; V468-T471 WeakPolarHBondContact O-CA 3.35Å; V468-T471 WeakPolarHBondContact O-CB 3.19Å; V468-T471 PolarHBondContact O-N 2.92Å; L469-T471 PolarHBondContact O-N 2.84Å; L469-T471 VanDerWaalsContact O-N 3.17Å; T471-R475 PolarHBondContact O-N 3.47Å
472L51.6Low48.2Very low57 Ų57102.7 Ų102.730%0.29852%0.523SS..Hα-helixtrans-73.5-43.1175.5-170.364.8000112.6V468 L469 R474 R475 A476 Y879V468-L472 PolarHBondContact O-N 2.89Å; L469-L472 CarbonylContact O-C 3.5Å; L469-L472 PolarHBondContact O-N 3.13Å; L469-L472 VanDerWaalsContact O-N 3.11Å; L472-R474 PolarHBondContact O-N 3.26Å; L472-R475 CarbonylContact O-C 3.44Å; L472-R475 VanDerWaalsContact O-CA 3.31Å; L472-R475 WeakPolarHBondContact O-CA 3.28Å; L472-R475 VanDerWaalsContact O-CB 3.28Å; L472-R475 WeakPolarHBondContact O-CB 3.28Å; L472-R475 PolarHBondContact O-N 3.27Å; L472-A476 WeakPolarHBondContact O-CB 3.4Å; L472-A476 PolarHBondContact O-N 3.06Å; L472-Y879 HydrophobicContact CD2-CD1 4.33Å; L472-Y879 HydrophobicContact CD2-CD2 4.43Å; L472-Y879 HydrophobicContact CD2-CG 3.84Å
473E51.7Low48.2Very low81 Ų81102.1 Ų102.138%0.37952%0.517SS..Hα-helixtrans-64.5-38.2175.9-77.8176.8160.400112.2H465 L469 R475 A476 A477H465-E473 IonicContact CE1-OE1 2.64Å; H465-E473 PolarHBondContact CE1-OE1 3.37Å; H465-E473 IonicContact CE1-OE2 3.3Å; H465-E473 IonicContact CG-OE2 2.78Å; H465-E473 VanDerWaalsContact ND1-CD 3.28Å; H465-E473 IonicContact ND1-OE1 3.83Å; H465-E473 PolarHBondContact ND1-OE1 3.31Å; H465-E473 IonicContact ND1-OE2 3.61Å; H465-E473 PolarHBondContact ND1-OE2 3.01Å; L469-E473 VanDerWaalsContact O-CB 3.28Å; L469-E473 WeakPolarHBondContact O-CB 3.45Å; L469-E473 WeakPolarHBondContact O-CG 3.34Å; L469-E473 PolarHBondContact O-N 2.84Å; E473-R475 PolarHBondContact O-N 2.86Å; E473-A476 PolarHBondContact O-N 2.85Å; E473-A477 WeakPolarHBondContact O-CB 3.49Å; E473-A477 PolarHBondContact O-N 3.41Å
474R52.3Low48.1Very low147 Ų14799.7 Ų99.756%0.55552%0.519SS*.Hα-helixtrans-63.8-20.6170.3-77.5-174.6-159.1104-6.9112.7K470 L472 R478K470-R474 WeakPolarHBondContact O-CB 3.48Å; K470-R474 WeakPolarHBondContact O-CG 3.41Å; K470-R474 PolarHBondContact O-N 3.47Å; K470-R474 PolarHBondContact O-NH1 3Å; L472-R474 PolarHBondContact O-N 3.26Å; R474-R478 WeakPolarHBondContact O-CD 3.44Å; R474-R478 WeakPolarHBondContact O-CG 3.39Å; R474-R478 PolarHBondContact O-NE 2.79Å
475R50.1Low48Very low109 Ų10999.9 Ų99.941%0.41152%0.524SS..Hα-helixtrans-90.7-39.7172.8-79.4176.4155.7170.3-3.5112.4T471 L472 E473 R478T471-R475 PolarHBondContact O-N 3.47Å; L472-R475 CarbonylContact O-C 3.44Å; L472-R475 VanDerWaalsContact O-CA 3.31Å; L472-R475 WeakPolarHBondContact O-CA 3.28Å; L472-R475 VanDerWaalsContact O-CB 3.28Å; L472-R475 WeakPolarHBondContact O-CB 3.28Å; L472-R475 PolarHBondContact O-N 3.27Å; E473-R475 PolarHBondContact O-N 2.86Å; R475-R478 PolarHBondContact O-N 2.95Å
476A46.2Very low47.7Very low59 Ų59104.6 Ų104.649%0.48855%0.547SS..Hα-helixtrans-72.8-39.1-17900000111.9L472 E473 R478 K479L472-A476 WeakPolarHBondContact O-CB 3.4Å; L472-A476 PolarHBondContact O-N 3.06Å; E473-A476 PolarHBondContact O-N 2.85Å; A476-R478 PolarHBondContact O-N 2.82Å; A476-K479 PolarHBondContact O-N 2.82Å; A476-K479 VanDerWaalsContact O-N 3.08Å
477A47.4Very low47.2Very low94 Ų94112.2 Ų112.278%0.77759%0.587SS**THydrogen-bonded Turntrans-67-0.4172.800000113.7E473E473-A477 WeakPolarHBondContact O-CB 3.49Å; E473-A477 PolarHBondContact O-N 3.41Å
478R50.3Low46.6Very low208 Ų208116.4 Ų116.479%0.78560%0.604SS**THydrogen-bonded Turntrans-112.84175.7-64.2-177.6-174.6167.53.1113.4R474 R475 A476R474-R478 WeakPolarHBondContact O-CD 3.44Å; R474-R478 WeakPolarHBondContact O-CG 3.39Å; R474-R478 PolarHBondContact O-NE 2.79Å; R475-R478 PolarHBondContact O-N 2.95Å; A476-R478 PolarHBondContact O-N 2.82Å
479K45.5Very low45.8Very low144 Ų144120.2 Ų120.263%0.62663%0.629SS**SBendtrans-133.4108.5175.6-71.9-168.1176.8-172.40110.3A476A476-K479 PolarHBondContact O-N 2.82Å; A476-K479 VanDerWaalsContact O-N 3.08Å
480L42.5Very low44.6Very low148 Ų148122.5 Ų122.578%0.77565%0.65SS**  trans76.5139169.2-68.9143.8000114.8
481P32.2Very low43.6Very low108 Ų108126.7 Ų126.770%0.70168%0.675SS**  -132.3136.658.631.1-11.7000115.7
482S34.6Very low42.6Very low101 Ų101129.8 Ų129.871%0.70670%0.699SS**  trans-48.2127.6151.738.90000111.2
483K38.4Very low42Very low187 Ų187131.3 Ų131.381%0.81371%0.714SS**  trans-133.7111.8160.1-67.3-170.3178-173.60108.5
484S38.3Very low41.5Very low120 Ų120133.4 Ų133.484%0.83973%0.728SS**  trans-62.5139.1156.5530000109
485L44.5Very low40.9Very low165 Ų165134.9 Ų134.986%0.86474%0.741SS**  trans-157.492.7169.9-167101.5000110
486E37.8Very low40.4Very low185 Ų185134.3 Ų134.386%0.86476%0.76SS**  trans-141.1141.7154.2-95156.3174.600105.5
487D42.5Very low40.1Very low163 Ų163140.5 Ų140.587%0.87278%0.776SS**  trans99.785.7-176.2-55.8-25.3000117.6
488I41.9Very low40Very low167 Ų167141.3 Ų141.386%0.85677%0.771SS**  trans-143.1129.2139.6-53.9-178.1000108
489P37.5Very low39.5Very low111 Ų111137.3 Ų137.372%0.72177%0.765SS**  trans-99.4171.8-163.539.3-39000116.9
490S33Very low39.1Very low103 Ų103137.7 Ų137.772%0.7277%0.774SS**  trans30121.9149.4-47.50000120.9
491D37.3Very low38.8Very low153 Ų153138.4 Ų138.482%0.81878%0.778SS**  177.5143.5101.3-107.1-26.1000115.5
492S39.6Very low39.3Very low115 Ų115137.5 Ų137.580%0.80477%0.772SS**  trans69.9144.9155.784.90000118.4
493S38.8Very low39.5Very low90 Ų90140.8 Ų140.863%0.62978%0.776SS**  cis-175.9153.2-12.3175.10000106.5
494N41Very low39.5Very low125 Ų125139 Ų13967%0.66877%0.771SS**  trans111.890.9154.3-58-51.8000119.6
495Q39.9Very low39.5Very low177 Ų177139.2 Ų139.283%0.82776%0.762SS**  86.3130.9113.2-74.4-173.158.100121.9
496A38.8Very low39.2Very low97 Ų97137.2 Ų137.280%0.80276%0.756SS**  trans86.6127.2155.900000116.7
497K40.2Very low39.3Very low190 Ų190139.9 Ų139.983%0.82676%0.758SS**  cis-176.9130.11.9-179.4168.7-178.9179.70107.6
498V45.3Very low39Very low110 Ų110137.7 Ų137.767%0.66776%0.755SS**  trans68138.7145.5174.80000118.4
499D40Very low38.9Very low124 Ų124133.4 Ų133.466%0.66375%0.745SS**  cis-174.4157.2-20.8-93.1-28.5000106.8
500N38Very low39.1Very low152 Ų152136.8 Ų136.881%0.81375%0.751SS**  trans92.393.7150.5-58.6-34000122.1
501L36.1Very low39.4Very low164 Ų164138.7 Ų138.786%0.85975%0.753SS**  trans-39.3-171138.2-80.8162.7000116.4
502P42.2Very low39.7Very low89 Ų89136.6 Ų136.658%0.57874%0.742SS**  -143.3-157.5-53.742.5-23.5000113
503E38.3Very low39.7Very low170 Ų170138.9 Ų138.979%0.79474%0.74SS**  trans80143.9159.2-76.4165.7-174.100115.8
504E38.4Very low39.7Very low149 Ų149144 Ų14470%0.69675%0.751SS**  cis-170.9161.120.5-133.8-165.6135.700109.5
505L39.2Very low39.4Very low124 Ų124142 Ų14265%0.64975%0.752SS**  trans73.6102.8144.6-65.8167.8000123.9
506V37.9Very low39.6Very low123 Ų123141.3 Ų141.375%0.74575%0.754SS**  22.3122.6112.1-164.90000118.3
507R38.8Very low39.6Very low242 Ų242145.6 Ų145.691%0.91376%0.757SS**  175.1152.5118.4-94.6178.5167.3133.2-1.6114
508S36.1Very low39.3Very low116 Ų116144.5 Ų144.581%0.81176%0.755SS**  trans-66167.5-168.4-42.30000117.9
509A41Very low39.3Very low78 Ų78144.8 Ų144.865%0.64576%0.759SS**  129123128.600000115.2
510E40.3Very low39Very low182 Ų182145.9 Ų145.985%0.8577%0.765SS**  trans45.7122.8133.1-60164.5127.900119.1
511D41.3Very low39.6Very low142 Ų142145 Ų14576%0.75977%0.766SS**  153.4140.592.9-151.910.4000113
512D41.9Very low39.9Very low109 Ų109144.2 Ų144.258%0.58376%0.762SS**  trans38.9124.3152.6-80.4-30.9000125.9
513Q39.3Very low39.8Very low163 Ų163148.7 Ų148.776%0.76278%0.775SS**  51.1116.3127.1-60.5174.14300121
514K39.6Very low39.6Very low198 Ų198145.8 Ų145.886%0.86177%0.772SS**  -177.6142.1111.9-124.7175.6176-1790112.5
515A35.7Very low39.7Very low83 Ų83146.1 Ų146.169%0.68678%0.778SS**  trans-66.9150.216400000111.2
516D43.6Very low39.9Very low162 Ų162146.2 Ų146.287%0.86679%0.785SS**  trans-164.9146141.6-89.2-32.8000111.1
517Q37.4Very low39.9Very low187 Ų187143.5 Ų143.587%0.87478%0.783SS**  trans-80.1156.8-174.5-72.5170.35.600113.3
518E35.1Very low40.1Very low168 Ų168140 Ų14079%0.78578%0.781SS**  trans4.9141.8151.5-69.8-98138.800118.9
519P44.1Very low40.2Very low116 Ų116139.8 Ų139.875%0.75378%0.779SS**  -151.615697.734.3-14.8000117.5
520D34.4Very low40.2Very low146 Ų146141.4 Ų141.478%0.78178%0.781SS**  trans-41.1147.6158.1-86.9-43.9000114.3
521T50.1Low40.2Very low135 Ų135138.8 Ų138.883%0.82878%0.777SS**  trans-138.2129.3167.5-43.70000112.1
522N42.9Very low40.1Very low147 Ų147137.5 Ų137.579%0.78678%0.776SS**  trans-74.2142.8-172.3-66.2-51.6000115.1
523E39.5Very low39.9Very low182 Ų182137.4 Ų137.485%0.8578%0.784SS**  trans38.5120.2136.5-68.2-163.9149.700123.7
524C35Very low39.7Very low109 Ų109137.3 Ų137.374%0.73679%0.788SS**  75.2118.4119.7-147.10000120.8
525I40.8Very low39.8Very low157 Ų157132.6 Ų132.681%0.80578%0.777SS**  165.9147.7108.6-79.9171.6000110.4
526P42Very low39.7Very low125 Ų125135.5 Ų135.581%0.81278%0.782SS**  trans-122.9178.3-151.838.6-21.2000117
527G37.9Very low39.2Very low67 Ų67134.7 Ų134.769%0.69178%0.777SS**  trans149.5133.9165.600000110.8
528I44.4Very low39.1Very low169 Ų169133.4 Ų133.487%0.86777%0.771SS**  cis-17114740.740.3171.6000111.5
529S37.5Very low39Very low110 Ų110133.2 Ų133.277%0.76977%0.768SS**  trans56.5118.6145.5-146.90000120.1
530T41.4Very low38.5Very low112 Ų112133.3 Ų133.369%0.68777%0.771SS**  cis-160.5153.635.7-30.80000107
531V40.4Very low38.8Very low127 Ų127133.2 Ų133.277%0.7777%0.766SS**  57.7140.851.7163.90000111.9
532P38.6Very low37.9Very low116 Ų116132.6 Ų132.675%0.75377%0.765SS**  cis-122.8-156.511.348.2-33.7000112.2
533S38Very low37.6Very low106 Ų106132.8 Ų132.874%0.74177%0.765SS**  cis-166.3137.4-39.147.80000111.7
534L34.4Very low37.5Very low161 Ų161134 Ų13484%0.84377%0.768SS**  trans2.6166.3146.1-124.154.6000121
535P41.5Very low37.8Very low99 Ų99137.1 Ų137.164%0.64378%0.776SS**  cis-137.2-175.31143.8-22.6000113.9
536D35.7Very low37.7Very low145 Ų145138 Ų13878%0.77578%0.775SS**  cis-167.6167.627.7-133.7-30.2000110.8
537N32.5Very low37.7Very low145 Ų145143.8 Ų143.878%0.77578%0.78SS**  trans-79.3175.8-174.5-130-17.5000114.2
538Q35.5Very low37.6Very low160 Ų160148.6 Ų148.675%0.74879%0.787SS**  trans100119.8173-54.6174.159.700113.3
539F32.3Very low37.2Very low163 Ų163145.7 Ų145.772%0.71578%0.781SS**  cis-150.5136.838-99.8-97.8000110.3
540S33.5Very low37.5Very low118 Ų118150.6 Ų150.683%0.82579%0.789SS**  trans-92.6102.5-179.7550000112
541H40.1Very low37.2Very low144 Ų144150.7 Ų150.767%0.66779%0.794SS**  trans-126.5151.8177.1-74.71.8000112.1D543H541-D543 PolarHBondContact O-N 2.86Å; H541-D543 VanDerWaalsContact O-N 3.14Å
542P31.6Very low37.2Very low123 Ų123150.4 Ų150.480%0.79979%0.792SS**  trans-93.375-161.737.5-32.5000111.7
543D36.7Very low37.5Very low150 Ų150150.9 Ų150.980%0.80280%0.795SS**  trans-134.651.9-178.8-82.2-40.4000113.4H541H541-D543 PolarHBondContact O-N 2.86Å; H541-D543 VanDerWaalsContact O-N 3.14Å
544K38Very low37.5Very low209 Ų209148 Ų14891%0.90978%0.778SS**  trans-147.457.7165.1-72.7-167.2-178.5171.70113.2
545L40.1Very low37.6Very low173 Ų173149.5 Ų149.591%0.90678%0.778SS**SBendtrans-141.2135.6158.3-89.5162.1000108.8
546K40.1Very low37.8Very low177 Ų177150.7 Ų150.777%0.7778%0.778SS**  trans86.265.8-178.6-62.6-176.1172179.10117.1M548K546-M548 PolarHBondContact O-N 2.85Å
547R42.5Very low37.9Very low245 Ų245150.9 Ų150.993%0.92577%0.774SS**  trans-67.2107.2131.9-104-176.9-94.6157.4-6.9107.1
548M34Very low38.3Very low169 Ų169151.4 Ų151.483%0.83378%0.777SS**  trans166.4130.1149.1-87.8164.487.700109.7K546K546-M548 PolarHBondContact O-N 2.85Å
549S36.3Very low38.3Very low108 Ų108151.7 Ų151.776%0.75578%0.779SS**  trans80.197.2161.1-48.90000119.3
550K44.7Very low38.7Very low213 Ų213148.9 Ų148.993%0.92678%0.779SS**  trans-150.8128.9151.1-69-166.6-179.3179.50110
551S35.8Very low39Very low114 Ų114150.3 Ų150.380%0.79778%0.777SS**  trans-161.4-5.3-172.956.50000117.8
552V40.2Very low39.1Very low121 Ų121149.9 Ų149.973%0.73378%0.78SS**  trans-140.4113.8-173.1-176.50000112
553P43.6Very low39.4Very low125 Ų125153.2 Ų153.281%0.81278%0.777SS**PPolyproline II helixtrans-81.5141.4160.2-12.429.7000112.1
554A37.8Very low39.6Very low45 Ų45153.5 Ų153.537%0.37277%0.773SS.*PPolyproline II helixtrans-71.9139.6177.900000112.4Q45 N48Q45-A554 HydrophobicContact CG-CB 4.36Å; N48-A554 VanDerWaalsContact ND2-CB 3.31Å; N48-A554 WeakPolarHBondContact ND2-CB 3.36Å
555F36.7Very low39.7Very low193 Ų193149.4 Ų149.485%0.84677%0.766SS**PPolyproline II helixtrans-101.9122.3166.6-148.4-97.4000108.2
556L45.7Very low39.6Very low124 Ų124148 Ų14865%0.64976%0.76SS**PPolyproline II helixtrans-83.6150.1169-90.9170.9000110.2Q44Q44-L556 HydrophobicContact CB-CD2 4.47Å; Q44-L556 HydrophobicContact CG-CD2 4.06Å
557Q38.8Very low39.4Very low150 Ų150145.3 Ų145.370%0.70176%0.758SS**PPolyproline II helixtrans-64.5128.3-178.1-171.7170.518.500111.3
558D41Very low39Very low155 Ų155137.7 Ų137.783%0.82975%0.747SS**  trans-143.6128.2146.8-154.76.5000109.1
559E34.6Very low38.9Very low167 Ų167135 Ų13578%0.7875%0.745SS**  trans-94.7112.9-179.2-90.4-179.59300109
560S41Very low39Very low103 Ų103139.8 Ų139.872%0.7276%0.756SS**  trans-178.9105150.753.40000106.7
561D39.1Very low38.3Very low149 Ų149135 Ų13580%0.79775%0.749SS**  70.5118.290.7-156.224000113.9
562D42.4Very low38.3Very low135 Ų135133.7 Ų133.772%0.72274%0.74SS**  trans53.9126.7158.7-104.3-32.1000123.2
563R39.1Very low38.3Very low193 Ų193139.4 Ų139.473%0.72875%0.75SS**  trans89.2118148.5-57.4-126.8175.8165.42.7121.9
564E41.2Very low38Very low155 Ų155142 Ų14272%0.72475%0.751SS**  67.5126.2129.6-63.6-179.4159.500121.2
565T40.1Very low38Very low124 Ų124147 Ų14776%0.76177%0.771SS**  trans87.4113142.5-45.60000119.4
566D36.5Very low38Very low144 Ų144147 Ų14777%0.7777%0.765SS**  54.2147.7126.3-140-10.7000122.9
567T35.5Very low37.6Very low119 Ų119150.2 Ų150.273%0.7377%0.769SS**  trans85.6152.1147.6-28.20000120.6
568A35.9Very low37.6Very low86 Ų86153.1 Ų153.171%0.71178%0.775SS**  trans94.8101.8170.100000115.7
569S31.6Very low37.5Very low113 Ų113155.1 Ų155.179%0.7978%0.776SS**  73.9107.266.7-66.30000113.1
570E38.3Very low37.9Very low208 Ų208157 Ų15797%0.97278%0.782SS**  trans-135111.1144-86.5-165.6125.300109.2
571S29.9Very low37.7Very low113 Ų113157.8 Ų157.879%0.7979%0.787SS**  trans-117.5145.6160.559.80000108.2
572S36.1Very low37.7Very low86 Ų86157 Ų15760%0.60179%0.791SS**  trans86.797.1162.7-175.10000117.3
573Y39.1Very low37.5Very low241 Ų241155.5 Ų155.595%0.94579%0.79SS**  -135.8114113.7-74.1-74.2000109.8
574Q36.9Very low37.6Very low180 Ų180151.2 Ų151.284%0.84179%0.79SS**  trans-77.2125.2165.4-63.1172.63.800108.6
575L38.5Very low37.6Very low149 Ų149151.7 Ų151.778%0.7880%0.797SS**  trans-163.1110.4137.8-142.458.9000113.8
576R36.9Very low37.5Very low194 Ų194151.7 Ų151.773%0.73280%0.797SS**  trans67108.4140.3-70-177.5-175.4-160.63121.1
577R38.1Very low37.4Very low190 Ų190153 Ų15372%0.71780%0.803SS**  32.9126.2120.7-74.8-174.7-105.4161.2-6.7116.5
578Y38Very low37.3Very low211 Ų211154.3 Ų154.383%0.82781%0.806SS**  -166.5143.697.2-90.2-73.9000111.3
579K38.5Very low37Very low197 Ų197156.1 Ų156.186%0.85781%0.813SS**  trans-59.5146-175.2-64.3173.3171.4-179.90113.7
580K42.5Very low37.2Very low206 Ų206157.2 Ų157.290%0.89682%0.821SS**  -170.1126127-99.3158.2-177.1-175.40109.9
581S37.4Very low37Very low120 Ų120152.9 Ų152.984%0.83981%0.813SS**  trans-56.4141.5-174.4-50.30000113.2
582P38.8Very low37.3Very low134 Ų134151.5 Ų151.587%0.8780%0.804SS**  trans-81.4163.4178.334.7-36.2000112.6
583S39.1Very low37.3Very low102 Ų102151.1 Ų151.171%0.71381%0.813SS**  trans-128.6124179.358.90000111.2
584S39.9Very low37.7Very low104 Ų104145.8 Ų145.873%0.72780%0.798SS**  66.1117.8130-32.30000120
585L42Very low37.6Very low164 Ų164143.7 Ų143.786%0.85980%0.798SS**  trans98.1123.8144.8-50.9177.1000119
586T38.9Very low37.2Very low124 Ų124142 Ų14276%0.76180%0.799SS**  trans95.5103.8158.971.70000118.3L588T586-L588 PolarHBondContact O-N 2.82Å
587N34.4Very low37.2Very low171 Ų171138.3 Ų138.391%0.91479%0.793SS**  trans-61.985.4168-74.5-53.3000111.4
588L32.1Very low37Very low148 Ų148132.7 Ų132.778%0.77578%0.782SS**  trans-144.987.5168.2-65.5175.2000109.4T586T586-L588 PolarHBondContact O-N 2.82Å
589S30Very low36.7Very low123 Ų123128.6 Ų128.686%0.8679%0.785SS**  trans-154.164.5170.4-81.40000112.5
590S35.1Very low36.8Very low137 Ų137121 Ų12196%0.95876%0.758SS**  trans-96.468.3159.8-63.20000109.4
591S34.5Very low36.6Very low116 Ų116114 Ų11481%0.81174%0.735SS**  trans-159.4104.9169.91800000110.7
592S35.6Very low36.8Very low85 Ų85111.2 Ų111.259%0.59473%0.726SS**  trans-162.8147.4168.263.90000112.4M594S592-M594 PolarHBondContact O-N 3.08Å
593G36.5Very low37.3Very low77 Ų77105.7 Ų105.779%0.79469%0.691SS**SBendtrans73.1-52.1156.100000119.6T595G593-T595 VanDerWaalsContact C-N 3.3Å; G593-T595 PolarHBondContact O-N 3.04Å
594M47.7Very low37.7Very low130 Ų130102.3 Ų102.364%0.6467%0.666SS**  trans-85.553.9-161-58.6-16582.600114.8S592 S596 L597S592-M594 PolarHBondContact O-N 3.08Å; M594-S596 VanDerWaalsContact C-N 3.26Å; M594-S596 PolarHBondContact O-N 3.12Å; M594-S596 VanDerWaalsContact O-N 3.16Å; M594-L597 HydrophobicContact CE-CD1 3.43Å; M594-L597 VanDerWaalsContact CE-CD1 3.43Å; M594-L597 HydrophobicContact CE-CD2 4.35Å; M594-L597 HydrophobicContact CE-CG 3.85Å; M594-L597 HydrophobicContact SD-CD1 4.35Å
595T34.3Very low38.1Very low135 Ų135103.1 Ų103.183%0.82866%0.66SS**THydrogen-bonded Turntrans-84.863.4166.358.30000110.2G593G593-T595 VanDerWaalsContact C-N 3.3Å; G593-T595 PolarHBondContact O-N 3.04Å
596S31.4Very low38.5Very low114 Ų11496.3 Ų96.380%0.79763%0.625SS**THydrogen-bonded Turntrans-163.42.6169.9-78.70000115.3M594 S598M594-S596 VanDerWaalsContact C-N 3.26Å; M594-S596 PolarHBondContact O-N 3.12Å; M594-S596 VanDerWaalsContact O-N 3.16Å; S596-S598 PolarHBondContact O-N 2.75Å; S596-S598 VanDerWaalsContact O-N 3.13Å
597L36.7Very low39Very low117 Ų11790.9 Ų90.961%0.61359%0.592SS**  trans-84.289.7169.3-62.7-175.3000108.5M594 S599M594-L597 HydrophobicContact CE-CD1 3.43Å; M594-L597 VanDerWaalsContact CE-CD1 3.43Å; M594-L597 HydrophobicContact CE-CD2 4.35Å; M594-L597 HydrophobicContact CE-CG 3.85Å; M594-L597 HydrophobicContact SD-CD1 4.35Å; L597-S599 VanDerWaalsContact C-N 3.35Å; L597-S599 PolarHBondContact O-N 3.33Å
598S34.4Very low39.9Very low71 Ų7189.3 Ų89.350%0.49757%0.574SS.*  trans-58.8100.9171.1-103.70000110S596 A600S596-S598 PolarHBondContact O-N 2.75Å; S596-S598 VanDerWaalsContact O-N 3.13Å; S598-A600 VanDerWaalsContact C-N 3.28Å; S598-A600 PolarHBondContact O-N 2.88Å
599S31.8Very low40.8Very low125 Ų12584.4 Ų84.487%0.87455%0.553SS**  trans-48.989.9152.8-46.30000109.4L597L597-S599 VanDerWaalsContact C-N 3.35Å; L597-S599 PolarHBondContact O-N 3.33Å
600A39.4Very low41.7Very low37 Ų3782 Ų8231%0.30655%0.547SS..  trans-143.413177.900000115.2S598 R797S598-A600 VanDerWaalsContact C-N 3.28Å; S598-A600 PolarHBondContact O-N 2.88Å; A600-R797 PolarHBondContact O-NH2 3.44Å
601S39Very low42.4Very low59 Ų5979.9 Ų79.941%0.41353%0.525SS..  trans-111.348156.7-161.30000110.5S603 M605S601-S603 PolarHBondContact O-N 2.89Å; S601-M605 WeakPolarHBondContact O-CG 3.35Å
602G41.3Very low43.3Very low63 Ų6376.8 Ų76.865%0.64950%0.497SS*.THydrogen-bonded Turntrans-66.5-4.4-179.200000114.6K671G602-K671 PolarHBondContact O-NZ 3.04Å
603S49Very low44.1Very low18 Ų1875 Ų7513%0.12649%0.493CS..THydrogen-bonded Turntrans-88.9-49.8-174.1-1530000112.7S601 Y661 D665 K671S601-S603 PolarHBondContact O-N 2.89Å; S603-Y661 WeakPolarHBondContact O-CE1 3.28Å; S603-D665 WeakPolarHBondContact CB-OD2 3.34Å; S603-D665 PolarHBondContact OG-OD2 3.03Å; S603-K671 PolarHBondContact O-NZ 3.48Å
604V47.3Very low45.1Very low30 Ų3080 Ų8018%0.18250%0.501CS..THydrogen-bonded Turntrans-100.6-9.2-175.2-64.70000114.9S606 V607 Y608 L663 D665V604-S606 PolarHBondContact O-N 2.97Å; V604-S606 VanDerWaalsContact O-N 3.09Å; V604-V607 WeakPolarHBondContact O-CA 3.41Å; V604-V607 WeakPolarHBondContact O-CB 3.35Å; V604-V607 PolarHBondContact O-N 3.34Å; V604-Y608 HydrophobicContact CB-CD2 3.93Å; V604-Y608 HydrophobicContact CB-CE2 3.67Å; V604-Y608 HydrophobicContact CG1-CE2 4.48Å; V604-Y608 HydrophobicContact CG2-CD2 4.09Å; V604-Y608 HydrophobicContact CG2-CE2 3.9Å; V604-Y608 WeakPolarHBondContact O-CD2 3.07Å; V604-Y608 PolarHBondContact O-N 3Å; V604-L663 HydrophobicContact CG1-CD2 3.9Å; V604-D665 HydrophobicContact CG1-CB 4.45Å
605M48.3Very low46.3Very low122 Ų12276 Ų7660%0.60148%0.482SS*.THydrogen-bonded Turntrans-59.1-28.5-179.5-78.8-159.281.700113.9S601 V607 Y608 S609S601-M605 WeakPolarHBondContact O-CG 3.35Å; M605-V607 VanDerWaalsContact C-N 3.29Å; M605-V607 PolarHBondContact O-N 3Å; M605-Y608 PolarHBondContact O-N 2.69Å; M605-S609 PolarHBondContact O-N 3.22Å; M605-S609 VanDerWaalsContact O-N 3.08Å; M605-S609 PolarHBondContact O-OG 3.43Å
606S51.4Low48.5Very low20 Ų2074.4 Ų74.414%0.1447%0.465CS..THydrogen-bonded Turntrans-73.8-19.5173.643.90000114V604 Y661 K671 W708V604-S606 PolarHBondContact O-N 2.97Å; V604-S606 VanDerWaalsContact O-N 3.09Å; S606-Y661 PolarHBondContact OG-OH 2.96Å; S606-K671 PolarHBondContact OG-NZ 3.44Å; S606-W708 WeakPolarHBondContact O-CH2 3.16Å
607V48.2Very low51.2Low10 Ų1069.9 Ų69.96%0.06143%0.433CS..THydrogen-bonded Turntrans-82.2-26.1173.7-169.40000109.9V604 M605 Y661 K747V604-V607 WeakPolarHBondContact O-CA 3.41Å; V604-V607 WeakPolarHBondContact O-CB 3.35Å; V604-V607 PolarHBondContact O-N 3.34Å; M605-V607 VanDerWaalsContact C-N 3.29Å; M605-V607 PolarHBondContact O-N 3Å; V607-Y661 HydrophobicContact CG2-CD1 4.09Å; V607-Y661 HydrophobicContact CG2-CD2 3.77Å; V607-Y661 HydrophobicContact CG2-CE1 4.11Å; V607-Y661 HydrophobicContact CG2-CE2 3.82Å; V607-Y661 HydrophobicContact CG2-CG 3.93Å; V607-K747 WeakPolarHBondContact O-CE 3.31Å; V607-K747 PolarHBondContact O-NZ 3.44Å
608Y53.3Low53.7Low138 Ų13869.8 Ų69.854%0.54143%0.427SS..SBendtrans-108.67.1-177.2-59.4-68.9000115.2V604 M605 G610V604-Y608 HydrophobicContact CB-CD2 3.93Å; V604-Y608 HydrophobicContact CB-CE2 3.67Å; V604-Y608 HydrophobicContact CG1-CE2 4.48Å; V604-Y608 HydrophobicContact CG2-CD2 4.09Å; V604-Y608 HydrophobicContact CG2-CE2 3.9Å; V604-Y608 WeakPolarHBondContact O-CD2 3.07Å; V604-Y608 PolarHBondContact O-N 3Å; M605-Y608 PolarHBondContact O-N 2.69Å; Y608-G610 PolarHBondContact O-N 3.08Å
609S52.3Low56.6Low46 Ų4667.2 Ų67.232%0.32241%0.412SS..  trans-78.690.9178.4-65.50000110.6M605 D611 F612M605-S609 PolarHBondContact O-N 3.22Å; M605-S609 VanDerWaalsContact O-N 3.08Å; M605-S609 PolarHBondContact O-OG 3.43Å; S609-D611 PolarHBondContact O-N 2.96Å; S609-F612 WeakPolarHBondContact O-CE1 3.42Å; S609-F612 WeakPolarHBondContact O-CE2 3.48Å; S609-F612 WeakPolarHBondContact O-CZ 3.36Å
610G47.3Very low59.7Low72 Ų7262.9 Ų62.974%0.74238%0.382SS*.  trans-64.618.6-175.600000117.7Y608Y608-G610 PolarHBondContact O-N 3.08Å
611D50.6Low62.4Low93 Ų9361.1 Ų61.150%0.49737%0.367SS..  trans-108.649.6172.470.7-30.5000111.5S609 G613 R715S609-D611 PolarHBondContact O-N 2.96Å; D611-G613 PolarHBondContact O-N 3.29Å; D611-R715 IonicContact OD2-CZ 3.36Å; D611-R715 IonicContact OD2-NH1 2.84Å; D611-R715 PolarHBondContact OD2-NH1 3.23Å
612F54.3Low65.2Low50 Ų5059.7 Ų59.722%0.21935%0.354CS..  trans-71.695.4169.6-48-71000107.2S609 W708 F718 K747S609-F612 WeakPolarHBondContact O-CE1 3.42Å; S609-F612 WeakPolarHBondContact O-CE2 3.48Å; S609-F612 WeakPolarHBondContact O-CZ 3.36Å; F612-W708 HydrophobicContact CD1-CH2 4.36Å; F612-W708 AromaticContact CE1-CH2 3.93Å; F612-W708 HydrophobicContact CE1-CH2 3.93Å; F612-F718 HydrophobicContact CB-CB 4.13Å; F612-F718 HydrophobicContact CB-CD1 4.43Å; F612-F718 HydrophobicContact CD1-CB 3.65Å; F612-F718 HydrophobicContact CD1-CD1 4.48Å; F612-F718 HydrophobicContact CD1-CD2 4.29Å; F612-F718 AromaticContact CD1-CG 3.92Å; F612-F718 HydrophobicContact CD1-CG 3.92Å; F612-F718 HydrophobicContact CG-CB 4.25Å; F612-F718 HydrophobicContact CG-CG 4.41Å; F612-K747 HydrophobicContact CD1-CD 4.34Å; F612-K747 HydrophobicContact CD2-CB 3.9Å; F612-K747 HydrophobicContact CD2-CD 3.91Å; F612-K747 HydrophobicContact CD2-CG 3.74Å; F612-K747 HydrophobicContact CE1-CD 3.81Å; F612-K747 HydrophobicContact CE2-CB 4.11Å; F612-K747 HydrophobicContact CE2-CD 3.33Å; F612-K747 HydrophobicContact CE2-CG 3.42Å; F612-K747 VanDerWaalsContact CE2-CG 3.42Å; F612-K747 HydrophobicContact CG-CB 4.36Å; F612-K747 HydrophobicContact CG-CD 4.39Å; F612-K747 HydrophobicContact CZ-CD 3.28Å; F612-K747 HydrophobicContact CZ-CG 3.94Å
613G52.1Low67.8Low49 Ų4956.8 Ų56.851%0.50532%0.323SS..  trans-46.1155.6-174.900000113.7D611 L615D611-G613 PolarHBondContact O-N 3.29Å; G613-L615 PolarHBondContact O-N 3.06Å
614N57.6Low69.9Low180 Ų18056.4 Ų56.496%0.96332%0.321SS*.SBendtrans-60.744-170.1-60.7-4.1000116.3
615L72.8Confident72.2Confident46 Ų4655 Ų5524%0.24131%0.313CS..  trans-91.1123.9174.5-82.9148.9000109G613 V617 A646 A647G613-L615 PolarHBondContact O-N 3.06Å; L615-V617 PolarHBondContact O-N 3.22Å; L615-V617 VanDerWaalsContact O-N 3.12Å; L615-A646 WeakPolarHBondContact CD2-O 3.38Å; L615-A647 HydrophobicContact CD1-CB 4.46Å
616E80.8Confident74.2Confident103 Ų10352.1 Ų52.148%0.48130%0.3SS..  trans-67.1108.9172.4159.6159.5-103.800109.9K618 A645 R746E616-K618 HydrophobicContact CG-CD 4.32Å; E616-K618 HydrophobicContact CG-CG 4.13Å; E616-K618 PolarHBondContact O-N 3.3Å; E616-K618 WeakPolarHBondContact OE2-CE 3.29Å; E616-K618 IonicContact OE2-NZ 2.75Å; E616-K618 PolarHBondContact OE2-NZ 3.49Å; E616-A645 VanDerWaalsContact O-CB 3.32Å; E616-A645 WeakPolarHBondContact O-CB 3.24Å; E616-R746 IonicContact OE1-NH2 2.8Å; E616-R746 PolarHBondContact OE1-NH2 2.88Å
617V87Confident76.1Confident19 Ų1952.2 Ų52.212%0.11530%0.298CS..  trans-58.6129.9174168.80000110.9L615 F718 L719 L744 R746L615-V617 PolarHBondContact O-N 3.22Å; L615-V617 VanDerWaalsContact O-N 3.12Å; V617-F718 HydrophobicContact CG2-CD1 4.2Å; V617-F718 HydrophobicContact CG2-CE1 4.02Å; V617-L719 VanDerWaalsContact CG1-O 3.31Å; V617-L719 WeakPolarHBondContact CG1-O 3.42Å; V617-L744 HydrophobicContact CG1-CB 3.92Å; V617-R746 HydrophobicContact CB-CG 3.57Å; V617-R746 HydrophobicContact CG1-CG 4.5Å; V617-R746 HydrophobicContact CG2-CB 4.38Å; V617-R746 HydrophobicContact CG2-CG 3.7Å
618K89.4Confident78.2Confident114 Ų11453.3 Ų53.350%0.49630%0.304SS..  trans-143.4157177.8-75.8-179.9174.2157.30110E616 D643 A645E616-K618 HydrophobicContact CG-CD 4.32Å; E616-K618 HydrophobicContact CG-CG 4.13Å; E616-K618 PolarHBondContact O-N 3.3Å; E616-K618 WeakPolarHBondContact OE2-CE 3.29Å; E616-K618 IonicContact OE2-NZ 2.75Å; E616-K618 PolarHBondContact OE2-NZ 3.49Å; K618-D643 CarbonylContact C-O 3.57Å; K618-A645 HydrophobicContact CB-CB 4.47Å
619G94.4Very high79.9Confident18 Ų1851.7 Ų51.719%0.18630%0.301CS..  trans100.5-178171.900000114.7K642 D643 L744G619-K642 CarbonylContact C-O 3.38Å; G619-K642 WeakPolarHBondContact CA-O 3.29Å; G619-D643 WeakPolarHBondContact CA-O 3.44Å; G619-D643 PolarHBondContact N-O 2.82Å; G619-L744 WeakPolarHBondContact O-CB 3.34Å; G619-L744 PolarHBondContact O-N 2.75Å
620S97Very high81.9Confident33 Ų3354.7 Ų54.723%0.23132%0.323CS..EExtended strand (participates in β ladder)trans-136.7154.4-177.6-59.40000110.6C641 K642 Y742S620-C641 CarbonylContact O-C 3.54Å; S620-C641 VanDerWaalsContact O-CA 3.26Å; S620-C641 WeakPolarHBondContact O-CA 3.19Å; S620-C641 WeakPolarHBondContact O-CB 3.32Å; S620-K642 PolarHBondContact N-O 3.06Å; S620-K642 PolarHBondContact O-N 3Å; S620-Y742 CarbonylContact C-O 3.47Å; S620-Y742 VanDerWaalsContact CA-O 3.26Å; S620-Y742 WeakPolarHBondContact CA-O 3.29Å; S620-Y742 WeakPolarHBondContact CB-O 3.41Å
621V97.5Very high84Confident0 Ų055.5 Ų55.50%031%0.309CS..EExtended strand (participates in β ladder)trans-118.8137.8174.7590000110.2F623 L705 V722 Y742 L744V621-F623 HydrophobicContact CG1-CD1 4.1Å; V621-F623 HydrophobicContact CG1-CE1 4.14Å; V621-F623 HydrophobicContact CG2-CD1 4.27Å; V621-L705 HydrophobicContact CB-CD2 4.48Å; V621-L705 HydrophobicContact CG1-CD2 3.92Å; V621-L705 HydrophobicContact CG2-CD2 4.05Å; V621-V722 HydrophobicContact CG1-CG2 3.73Å; V621-Y742 PolarHBondContact N-O 2.55Å; V621-Y742 PolarHBondContact O-N 3.09Å; V621-L744 HydrophobicContact CB-CD2 4.19Å; V621-L744 HydrophobicContact CG1-CD2 3.76Å
622Q97.2Very high86Confident29 Ų2956.1 Ų56.114%0.13631%0.308CS..EExtended strand (participates in β ladder)trans-105.2121176.2-162-177.519.300109.8A639 Q640 L739 K740 W741Q622-A639 HydrophobicContact CB-CB 4.41Å; Q622-A639 PolarHBondContact O-N 3.22Å; Q622-Q640 HydrophobicContact CB-CG 4.02Å; Q622-Q640 PolarHBondContact N-O 2.84Å; Q622-Q640 PolarHBondContact O-N 3.39Å; Q622-L739 HydrophobicContact CG-CB 4.03Å; Q622-L739 HydrophobicContact CG-CD2 4.27Å; Q622-K740 VanDerWaalsContact CA-O 3.31Å; Q622-K740 WeakPolarHBondContact CA-O 3.44Å; Q622-W741 HydrophobicContact CB-CD2 3.76Å; Q622-W741 HydrophobicContact CB-CE3 3.67Å; Q622-W741 HydrophobicContact CB-CG 4.47Å; Q622-W741 HydrophobicContact CB-CH2 3.96Å; Q622-W741 HydrophobicContact CB-CZ2 4.04Å; Q622-W741 HydrophobicContact CB-CZ3 3.77Å; Q622-W741 HydrophobicContact CG-CD2 3.97Å; Q622-W741 HydrophobicContact CG-CE3 4.4Å; Q622-W741 HydrophobicContact CG-CG 4.28Å; Q622-W741 HydrophobicContact CG-CZ2 4.33Å
623F96.2Very high87.8Confident2 Ų254.4 Ų54.41%0.00930%0.3CS..EExtended strand (participates in β ladder)trans-151.6166.6176.469.6-85.9000111.8V621 L625 V636 F637 L703 L705 V722 L724 K740 Y742V621-F623 HydrophobicContact CG1-CD1 4.1Å; V621-F623 HydrophobicContact CG1-CE1 4.14Å; V621-F623 HydrophobicContact CG2-CD1 4.27Å; F623-L625 HydrophobicContact CD2-CD2 4.1Å; F623-L625 HydrophobicContact CD2-CG 4.32Å; F623-L625 HydrophobicContact CE2-CD1 4.42Å; F623-L625 HydrophobicContact CE2-CD2 4.07Å; F623-L625 HydrophobicContact CE2-CG 4.1Å; F623-V636 HydrophobicContact CD2-CG1 4.43Å; F623-F637 CarbonylContact C-O 3.41Å; F623-F637 WeakPolarHBondContact CA-O 3.43Å; F623-F637 WeakPolarHBondContact CB-O 3.45Å; F623-L703 HydrophobicContact CE2-CD2 4.34Å; F623-L705 HydrophobicContact CB-CD1 4.4Å; F623-L705 HydrophobicContact CD1-CD1 3.74Å; F623-L705 HydrophobicContact CD2-CD1 4.16Å; F623-L705 HydrophobicContact CE1-CD1 3.9Å; F623-L705 HydrophobicContact CE2-CD1 4.32Å; F623-L705 HydrophobicContact CG-CD1 3.86Å; F623-L705 HydrophobicContact CZ-CD1 4.19Å; F623-V722 HydrophobicContact CE1-CG1 4.31Å; F623-V722 HydrophobicContact CZ-CG1 4.3Å; F623-L724 HydrophobicContact CE2-CD1 3.58Å; F623-L724 HydrophobicContact CZ-CD1 3.46Å; F623-L724 VanDerWaalsContact CZ-CD1 3.46Å; F623-L724 HydrophobicContact CZ-CG 4.27Å; F623-K740 PolarHBondContact N-O 3.32Å; F623-K740 VanDerWaalsContact N-O 3.11Å; F623-K740 PolarHBondContact O-N 2.91Å; F623-K740 VanDerWaalsContact O-N 3.08Å; F623-Y742 AromaticContact CD1-CD2 3.57Å; F623-Y742 HydrophobicContact CD1-CD2 3.57Å; F623-Y742 HydrophobicContact CD1-CE2 4.05Å; F623-Y742 HydrophobicContact CD1-CG 4.43Å; F623-Y742 AromaticContact CE1-CD2 3.11Å; F623-Y742 HydrophobicContact CE1-CD2 3.11Å; F623-Y742 AromaticContact CE1-CE2 3.64Å; F623-Y742 HydrophobicContact CE1-CE2 3.64Å; F623-Y742 AromaticContact CE1-CG 3.64Å; F623-Y742 HydrophobicContact CE1-CG 3.64Å; F623-Y742 HydrophobicContact CE2-CD2 4.46Å; F623-Y742 HydrophobicContact CE2-CE2 4.17Å; F623-Y742 HydrophobicContact CG-CD2 4.43Å; F623-Y742 HydrophobicContact CG-CE2 4.5Å; F623-Y742 AromaticContact CZ-CD2 3.65Å; F623-Y742 HydrophobicContact CZ-CD2 3.65Å; F623-Y742 AromaticContact CZ-CE2 3.71Å; F623-Y742 HydrophobicContact CZ-CE2 3.71Å; F623-Y742 HydrophobicContact CZ-CG 4.12Å
624A93.8Very high89.7Confident10 Ų1052.1 Ų52.18%0.08328%0.276CS..EExtended strand (participates in β ladder)trans-133153.717400000110.4F637 L739A624-F637 PolarHBondContact N-O 3.16Å; A624-F637 PolarHBondContact O-N 3.17Å; A624-L739 HydrophobicContact CB-CD2 4.15Å
625L93.7Very high91.4Very high2 Ų245 Ų451%0.0124%0.237CC..EExtended strand (participates in β ladder)trans-117.7130176.2-59.4-178.5000109.2F623 V636 L703 L724 L726 W729F623-L625 HydrophobicContact CD2-CD2 4.1Å; F623-L625 HydrophobicContact CD2-CG 4.32Å; F623-L625 HydrophobicContact CE2-CD1 4.42Å; F623-L625 HydrophobicContact CE2-CD2 4.07Å; F623-L625 HydrophobicContact CE2-CG 4.1Å; L625-V636 HydrophobicContact CD2-CB 4.08Å; L625-V636 HydrophobicContact CD2-CG1 3.8Å; L625-V636 HydrophobicContact CD2-CG2 3.76Å; L625-L703 HydrophobicContact CD1-CD2 3.93Å; L625-L703 HydrophobicContact CD2-CD2 3.52Å; L625-L703 HydrophobicContact CG-CD2 4.35Å; L625-L724 HydrophobicContact CD1-CD1 3.91Å; L625-L726 HydrophobicContact CD1-CD2 4.02Å; L625-W729 HydrophobicContact CB-CZ2 4.06Å; L625-W729 HydrophobicContact CD1-CD2 4.24Å; L625-W729 HydrophobicContact CD1-CH2 4.27Å; L625-W729 HydrophobicContact CD1-CZ2 3.96Å; L625-W729 HydrophobicContact CG-CZ2 4.21Å
626D91.1Very high92.5Very high61 Ų6142.8 Ų42.833%0.32623%0.226SC..EExtended strand (participates in β ladder)trans-136.7146.1170.7-166.931.4000110.1H635 K737D626-H635 PolarHBondContact N-O 3.15Å; D626-H635 PolarHBondContact O-N 2.88Å; D626-K737 IonicContact OD1-NZ 2.75Å; D626-K737 PolarHBondContact OD1-NZ 3.36Å
627Y91.8Very high93.2Very high22 Ų2241 Ų419%0.08622%0.216CC..EExtended strand (participates in β ladder)trans-113.3115.4176.6-177-98.9000109.6E629 K632 E633 L634 I693 E694 R695 L698Y627-E629 HydrophobicContact CE1-CB 4.33Å; Y627-E629 WeakPolarHBondContact CE1-OE2 3.33Å; Y627-E629 PolarHBondContact O-N 3.02Å; Y627-K632 WeakPolarHBondContact OH-CA 3.33Å; Y627-E633 WeakPolarHBondContact CD2-O 3.4Å; Y627-L634 HydrophobicContact CD2-CB 4.26Å; Y627-I693 VanDerWaalsContact CE2-O 3.26Å; Y627-I693 WeakPolarHBondContact CE2-O 3.49Å; Y627-I693 PolarHBondContact OH-O 3.39Å; Y627-E694 WeakPolarHBondContact OH-CA 2.89Å; Y627-R695 HydrophobicContact CD1-CB 4.27Å; Y627-R695 HydrophobicContact CD1-CG 4.21Å; Y627-R695 HydrophobicContact CE1-CB 3.6Å; Y627-R695 HydrophobicContact CE1-CG 4.04Å; Y627-R695 PolarHBondContact OH-N 2.7Å; Y627-L698 HydrophobicContact CD2-CD1 3.37Å; Y627-L698 HydrophobicContact CE2-CD1 3.71Å; Y627-L698 HydrophobicContact CG-CD1 3.97Å
628V91.4Very high93.7Very high32 Ų3240 Ų4019%0.19421%0.211CC..EExtended strand (participates in β ladder)trans-92.195.9-178.3-174.40000108.8S630 L631 K632 E633V628-S630 VanDerWaalsContact C-N 3.3Å; V628-S630 WeakPolarHBondContact CG1-OG 3.47Å; V628-S630 PolarHBondContact O-N 2.72Å; V628-L631 HydrophobicContact CB-CB 4.44Å; V628-L631 HydrophobicContact CG1-CB 4.08Å; V628-L631 HydrophobicContact CG1-CD1 3.93Å; V628-L631 HydrophobicContact CG1-CG 3.86Å; V628-L631 PolarHBondContact O-N 3.31Å; V628-L631 VanDerWaalsContact O-N 3.13Å; V628-K632 PolarHBondContact O-N 3.21Å; V628-E633 PolarHBondContact N-O 2.8Å; V628-E633 PolarHBondContact O-N 3.06Å
629E90.4Very high94.1Very high104 Ų10434.8 Ų34.849%0.48619%0.188SC..G310 helixtrans-58.3-39.5-175.4-164.868.5-111.200112.6Y627 L631 K632 R695Y627-E629 HydrophobicContact CE1-CB 4.33Å; Y627-E629 WeakPolarHBondContact CE1-OE2 3.33Å; Y627-E629 PolarHBondContact O-N 3.02Å; E629-L631 PolarHBondContact O-N 2.93Å; E629-K632 PolarHBondContact O-N 2.86Å; E629-R695 WeakPolarHBondContact OE2-CD 3.44Å
630S92.9Very high94.2Very high110 Ų11036.9 Ų36.977%0.76919%0.193SC*.G310 helixtrans-63-27.1179.958.40000113.7V628V628-S630 VanDerWaalsContact C-N 3.3Å; V628-S630 WeakPolarHBondContact CG1-OG 3.47Å; V628-S630 PolarHBondContact O-N 2.72Å
631L92.4Very high94.3Very high89 Ų8935.4 Ų35.447%0.46618%0.183SC..G310 helixtrans-102.6-10.1-179.8-60.9179.7000112.8V628 E629 E633V628-L631 HydrophobicContact CB-CB 4.44Å; V628-L631 HydrophobicContact CG1-CB 4.08Å; V628-L631 HydrophobicContact CG1-CD1 3.93Å; V628-L631 HydrophobicContact CG1-CG 3.86Å; V628-L631 PolarHBondContact O-N 3.31Å; V628-L631 VanDerWaalsContact O-N 3.13Å; E629-L631 PolarHBondContact O-N 2.93Å; L631-E633 VanDerWaalsContact C-N 3.31Å; L631-E633 HydrophobicContact CB-CB 4.19Å; L631-E633 HydrophobicContact CB-CG 4.12Å
632K91.4Very high94.2Very high106 Ų10640.4 Ų40.446%0.46121%0.205SC..THydrogen-bonded Turntrans52.350-169-60.2179.5165.9-163.10111.7Y627 V628 E629 I693 E694Y627-K632 WeakPolarHBondContact OH-CA 3.33Å; V628-K632 PolarHBondContact O-N 3.21Å; E629-K632 PolarHBondContact O-N 2.86Å; K632-I693 CarbonylContact C-O 3.54Å; K632-I693 PolarHBondContact O-N 3.15Å; K632-I693 VanDerWaalsContact O-N 3.14Å; K632-E694 HydrophobicContact CD-CG 4.31Å; K632-E694 IonicContact NZ-OE1 3.69Å; K632-E694 PolarHBondContact NZ-OE1 3.3Å
633E92.6Very high94.1Very high14 Ų1443.4 Ų43.47%0.06522%0.222CC..EExtended strand (participates in β ladder)trans-132.8135.2-175.2-74.6179.1176.300112.9Y627 V628 L631 H635 R690 Y691 K692Y627-E633 WeakPolarHBondContact CD2-O 3.4Å; V628-E633 PolarHBondContact N-O 2.8Å; V628-E633 PolarHBondContact O-N 3.06Å; L631-E633 VanDerWaalsContact C-N 3.31Å; L631-E633 HydrophobicContact CB-CB 4.19Å; L631-E633 HydrophobicContact CB-CG 4.12Å; E633-H635 IonicContact OE2-CD2 3.64Å; E633-H635 IonicContact OE2-NE2 2.86Å; E633-H635 PolarHBondContact OE2-NE2 2.75Å; E633-H635 VanDerWaalsContact OE2-NE2 3.12Å; E633-R690 IonicContact OE1-NH2 2.91Å; E633-R690 IonicContact OE2-CZ 3.37Å; E633-R690 IonicContact OE2-NE 2.66Å; E633-R690 PolarHBondContact OE2-NE 3.35Å; E633-R690 IonicContact OE2-NH2 3.54Å; E633-R690 PolarHBondContact OE2-NH2 3Å; E633-Y691 CarbonylContact C-O 3.42Å; E633-Y691 WeakPolarHBondContact CA-O 3.24Å; E633-Y691 WeakPolarHBondContact CB-O 3.45Å; E633-K692 HydrophobicContact CG-CG 3.84Å; E633-K692 WeakPolarHBondContact OE1-CE 3.37Å
634L92Very high94.1Very high0 Ų043.5 Ų43.50%022%0.222CC..EExtended strand (participates in β ladder)trans-85.6124.6164.3175.472000109.3Y627 V636 L662 Y691 I693 L698 L726 W731Y627-L634 HydrophobicContact CD2-CB 4.26Å; L634-V636 HydrophobicContact CD2-CG2 4.35Å; L634-V636 HydrophobicContact CG-CG2 4.35Å; L634-L662 HydrophobicContact CD2-CD1 4.28Å; L634-L662 HydrophobicContact CD2-CD2 3.83Å; L634-Y691 HydrophobicContact CD2-CD2 4.48Å; L634-Y691 PolarHBondContact N-O 3.42Å; L634-Y691 PolarHBondContact O-N 2.78Å; L634-I693 HydrophobicContact CB-CG2 3.88Å; L634-L698 HydrophobicContact CB-CD2 4.19Å; L634-L698 HydrophobicContact CD2-CD2 3.91Å; L634-L698 HydrophobicContact CG-CD2 4.44Å; L634-L726 HydrophobicContact CD2-CD1 4.2Å; L634-W731 HydrophobicContact CD1-CH2 3.63Å; L634-W731 HydrophobicContact CD1-CZ3 3.7Å
635H94.3Very high94.1Very high31 Ų3143.4 Ų43.414%0.14422%0.222CC..EExtended strand (participates in β ladder)trans-105.6119.1177.3-74.2-155.4000108.7D626 E633 I688 R690D626-H635 PolarHBondContact N-O 3.15Å; D626-H635 PolarHBondContact O-N 2.88Å; E633-H635 IonicContact OE2-CD2 3.64Å; E633-H635 IonicContact OE2-NE2 2.86Å; E633-H635 PolarHBondContact OE2-NE2 2.75Å; E633-H635 VanDerWaalsContact OE2-NE2 3.12Å; H635-I688 HydrophobicContact CB-CG2 3.79Å; H635-R690 PolarHBondContact NE2-NE 3.01Å
636V94.9Very high94Very high0 Ų044.1 Ų44.10%023%0.228CC..EExtended strand (participates in β ladder)trans-104.7102.9173.7-174.80000107.7F623 L625 L634 V638 T660 L689 Y691 L703 L705F623-V636 HydrophobicContact CD2-CG1 4.43Å; L625-V636 HydrophobicContact CD2-CB 4.08Å; L625-V636 HydrophobicContact CD2-CG1 3.8Å; L625-V636 HydrophobicContact CD2-CG2 3.76Å; L634-V636 HydrophobicContact CD2-CG2 4.35Å; L634-V636 HydrophobicContact CG-CG2 4.35Å; V636-V638 HydrophobicContact CG1-CG2 4.23Å; V636-V638 PolarHBondContact O-N 3.3Å; V636-T660 HydrophobicContact CG1-CG2 4.25Å; V636-L689 HydrophobicContact CB-CB 4.28Å; V636-L689 PolarHBondContact N-O 2.81Å; V636-L689 PolarHBondContact O-N 3.43Å; V636-Y691 HydrophobicContact CG2-CD2 4.14Å; V636-Y691 HydrophobicContact CG2-CE2 4.04Å; V636-L703 HydrophobicContact CG1-CD2 4.39Å; V636-L703 HydrophobicContact CG2-CD1 4.19Å; V636-L703 HydrophobicContact CG2-CD2 4.26Å; V636-L705 HydrophobicContact CG1-CD1 4.48Å
637F96.4Very high93.7Very high64 Ų6442.2 Ų42.228%0.28122%0.221SC..EExtended strand (participates in β ladder)trans-88.9107179.1178-127.5000110.2F623 A624 A639 N686 I688 L739F623-F637 CarbonylContact C-O 3.41Å; F623-F637 WeakPolarHBondContact CA-O 3.43Å; F623-F637 WeakPolarHBondContact CB-O 3.45Å; A624-F637 PolarHBondContact N-O 3.16Å; A624-F637 PolarHBondContact O-N 3.17Å; F637-A639 HydrophobicContact CE1-CB 4.25Å; F637-A639 HydrophobicContact CZ-CB 4.48Å; F637-N686 HydrophobicContact CE2-CB 4.37Å; F637-N686 HydrophobicContact CZ-CB 4.48Å; F637-I688 HydrophobicContact CB-CG1 4.27Å; F637-I688 HydrophobicContact CD2-CD1 4.49Å; F637-I688 HydrophobicContact CD2-CG1 3.58Å; F637-I688 HydrophobicContact CE2-CG1 4.37Å; F637-I688 HydrophobicContact CG-CG1 4.3Å; F637-L739 HydrophobicContact CD1-CD2 3.64Å; F637-L739 HydrophobicContact CD1-CG 4.35Å; F637-L739 HydrophobicContact CE1-CD1 4.1Å; F637-L739 HydrophobicContact CE1-CD2 3.77Å; F637-L739 HydrophobicContact CE1-CG 4.24Å
638V97.3Very high93.4Very high0 Ų043.7 Ų43.70%023%0.23CC..EExtended strand (participates in β ladder)trans-94.1108.3178.2-175.50000108.2V636 V658 T674 Y685 N686 E687 L689 L705V636-V638 HydrophobicContact CG1-CG2 4.23Å; V636-V638 PolarHBondContact O-N 3.3Å; V638-V658 HydrophobicContact CG1-CB 4.1Å; V638-V658 HydrophobicContact CG1-CG1 4.17Å; V638-V658 HydrophobicContact CG1-CG2 3.88Å; V638-V658 HydrophobicContact CG2-CG1 4.25Å; V638-T674 HydrophobicContact CB-CG2 4.13Å; V638-T674 HydrophobicContact CG1-CG2 4.22Å; V638-T674 HydrophobicContact CG2-CG2 4.32Å; V638-Y685 HydrophobicContact CG1-CD2 3.86Å; V638-Y685 HydrophobicContact CG1-CE2 4.49Å; V638-Y685 HydrophobicContact CG1-CG 4.44Å; V638-N686 WeakPolarHBondContact O-CA 3.38Å; V638-N686 PolarHBondContact O-N 2.82Å; V638-N686 VanDerWaalsContact O-N 3.14Å; V638-E687 PolarHBondContact N-O 3.31Å; V638-E687 PolarHBondContact O-N 2.73Å; V638-L689 HydrophobicContact CG2-CD1 4.13Å; V638-L689 HydrophobicContact CG2-CG 4.48Å; V638-L705 HydrophobicContact CG2-CD1 4.33Å
639A97.2Very high92.9Very high3 Ų347.1 Ų47.13%0.02525%0.251CS..EExtended strand (participates in β ladder)trans-82.1-66.8-178.600000111Q622 F637 Y685 N686 L739Q622-A639 HydrophobicContact CB-CB 4.41Å; Q622-A639 PolarHBondContact O-N 3.22Å; F637-A639 HydrophobicContact CE1-CB 4.25Å; F637-A639 HydrophobicContact CZ-CB 4.48Å; A639-Y685 PolarHBondContact O-N 3.29Å; A639-N686 PolarHBondContact O-N 3.45Å; A639-N686 PolarHBondContact O-OD1 2.94Å; A639-L739 HydrophobicContact CB-CD1 4.16Å; A639-L739 HydrophobicContact CB-CD2 3.6Å
640Q97.7Very high92.5Very high62 Ų6252 Ų5229%0.2927%0.27SS..EExtended strand (participates in β ladder)trans-158.6165.9-171.758.4-177.318.900112.5Q622 P683 V684 W741Q622-Q640 HydrophobicContact CB-CG 4.02Å; Q622-Q640 PolarHBondContact N-O 2.84Å; Q622-Q640 PolarHBondContact O-N 3.39Å; Q640-P683 CarbonylContact C-O 3.51Å; Q640-P683 WeakPolarHBondContact CA-O 3.4Å; Q640-P683 WeakPolarHBondContact CB-O 3.47Å; Q640-V684 HydrophobicContact CB-CB 4.43Å; Q640-V684 HydrophobicContact CB-CG2 4.1Å; Q640-W741 HydrophobicContact CG-CH2 3.79Å; Q640-W741 HydrophobicContact CG-CZ2 4.24Å
641C97.9Very high92.2Very high3 Ų353.6 Ų53.62%0.0226%0.263CS..EExtended strand (participates in β ladder)trans-119.3157.9165.8-54.50000110.7S620 L644 N682 P683S620-C641 CarbonylContact O-C 3.54Å; S620-C641 VanDerWaalsContact O-CA 3.26Å; S620-C641 WeakPolarHBondContact O-CA 3.19Å; S620-C641 WeakPolarHBondContact O-CB 3.32Å; C641-L644 HydrophobicContact CB-CD1 3.79Å; C641-L644 HydrophobicContact CB-CD2 3.79Å; C641-L644 HydrophobicContact CB-CG 3.82Å; C641-N682 CarbonylContact O-C 3.35Å; C641-N682 VanDerWaalsContact O-CA 3.26Å; C641-N682 WeakPolarHBondContact O-CA 3.22Å; C641-P683 HydrophobicContact CB-CG 3.73Å; C641-P683 PolarHBondContact N-O 2.85Å
642K96.5Very high91.9Very high105 Ų10554.8 Ų54.846%0.45727%0.267SS..EExtended strand (participates in β ladder)trans-130.7139.9-179.7160.1177.7171178.90110G619 S620 L644 N682 W741G619-K642 CarbonylContact C-O 3.38Å; G619-K642 WeakPolarHBondContact CA-O 3.29Å; S620-K642 PolarHBondContact N-O 3.06Å; S620-K642 PolarHBondContact O-N 3Å; K642-L644 VanDerWaalsContact C-N 3.31Å; K642-L644 PolarHBondContact O-N 2.93Å; K642-N682 VanDerWaalsContact CA-OD1 3.25Å; K642-N682 WeakPolarHBondContact CA-OD1 3.39Å; K642-W741 HydrophobicContact CB-CH2 3.68Å; K642-W741 HydrophobicContact CB-CZ3 3.62Å
643D95.2Very high91.9Very high91 Ų9156.3 Ų56.349%0.48727%0.27SS..SBendtrans53.140.9170.6-56.3-33.4000114.3K618 G619 N682K618-D643 CarbonylContact C-O 3.57Å; G619-D643 WeakPolarHBondContact CA-O 3.44Å; G619-D643 PolarHBondContact N-O 2.82Å; D643-N682 PolarHBondContact N-OD1 3.2Å
644L95.9Very high91.9Very high4 Ų455.7 Ų55.72%0.02127%0.267CS..  trans-63.2152.1178.8-64.5-179000112C641 K642 P656 L681 P683 V707 L719 L744C641-L644 HydrophobicContact CB-CD1 3.79Å; C641-L644 HydrophobicContact CB-CD2 3.79Å; C641-L644 HydrophobicContact CB-CG 3.82Å; K642-L644 VanDerWaalsContact C-N 3.31Å; K642-L644 PolarHBondContact O-N 2.93Å; L644-P656 HydrophobicContact CD1-CB 3.52Å; L644-P656 HydrophobicContact CD1-CG 3.88Å; L644-L681 HydrophobicContact CB-CB 4.45Å; L644-L681 WeakPolarHBondContact CB-O 3.34Å; L644-L681 VanDerWaalsContact CG-O 3.28Å; L644-L681 WeakPolarHBondContact CG-O 3.47Å; L644-L681 PolarHBondContact N-O 3.5Å; L644-L681 VanDerWaalsContact N-O 3.08Å; L644-L681 WeakPolarHBondContact O-CD2 3.25Å; L644-P683 HydrophobicContact CD1-CG 3.77Å; L644-V707 HydrophobicContact CD1-CG1 3.96Å; L644-V707 HydrophobicContact CD2-CG1 4.13Å; L644-L719 HydrophobicContact CD1-CD1 4.39Å; L644-L744 HydrophobicContact CD2-CD1 3.29Å
645A92.3Very high92.1Very high9 Ų957.2 Ų57.27%0.07428%0.275CS..  trans-60.8138172.100000111.9E616 K618 A647 S654 L719E616-A645 VanDerWaalsContact O-CB 3.32Å; E616-A645 WeakPolarHBondContact O-CB 3.24Å; K618-A645 HydrophobicContact CB-CB 4.47Å; A645-A647 PolarHBondContact O-N 2.89Å; A645-S654 PolarHBondContact O-OG 2.89Å; A645-L719 HydrophobicContact CB-CD2 4.22Å
646A91.6Very high92.2Very high16 Ų1655.8 Ų55.813%0.13227%0.268CS..  trans-81.2110.1175.200000110.6L615 S654 L681L615-A646 WeakPolarHBondContact CD2-O 3.38Å; A646-S654 WeakPolarHBondContact CA-OG 3.45Å; A646-L681 HydrophobicContact CB-CD1 4.4Å; A646-L681 HydrophobicContact CB-CD2 4.08Å
647A86.6Confident92.3Very high22 Ų2256.4 Ų56.418%0.18227%0.271CS..SBendtrans-73-34.7178.100000112.2L615 A645 S654 H709 L719L615-A647 HydrophobicContact CD1-CB 4.46Å; A645-A647 PolarHBondContact O-N 2.89Å; A647-S654 PolarHBondContact N-OG 2.9Å; A647-H709 HydrophobicContact CB-CB 3.79Å; A647-H709 WeakPolarHBondContact CB-CD2 3.46Å; A647-H709 VanDerWaalsContact CB-CG 3.48Å; A647-L719 HydrophobicContact CB-CD2 4.46Å
648D84.5Confident92.4Very high53 Ų5353.3 Ų53.328%0.28326%0.257SS..BIsolated β-bridgetrans-93.595.1168-172.9-14.3000109.2K650 K651 Q652 R653D648-K650 PolarHBondContact O-N 2.8Å; D648-K650 WeakPolarHBondContact OD1-CB 3.18Å; D648-K650 PolarHBondContact OD1-N 2.85Å; D648-K651 HydrophobicContact CB-CB 4.35Å; D648-K651 PolarHBondContact O-N 2.82Å; D648-K651 PolarHBondContact OD1-N 3.13Å; D648-K651 VanDerWaalsContact OD2-CD 3.26Å; D648-K651 WeakPolarHBondContact OD2-CD 3.4Å; D648-K651 WeakPolarHBondContact OD2-CG 3.36Å; D648-Q652 WeakPolarHBondContact O-CA 3.36Å; D648-Q652 PolarHBondContact O-N 3.39Å; D648-R653 PolarHBondContact N-O 3.06Å; D648-R653 VanDerWaalsContact N-O 3.16Å; D648-R653 PolarHBondContact O-N 2.91Å
649V80.3Confident92.2Very high103 Ų10354.4 Ų54.462%0.62426%0.262SS*.THydrogen-bonded Turntrans-59.4-31.9179.5-176.60000111.6Q652V649-Q652 PolarHBondContact O-NE2 3.07Å
650K81.9Confident92.1Very high206 Ų20654.3 Ų54.390%0.89626%0.261SS*.THydrogen-bonded Turntrans-70.7-37.6-179.3-62.3-173.2176.7-172.40111.5D648D648-K650 PolarHBondContact O-N 2.8Å; D648-K650 WeakPolarHBondContact OD1-CB 3.18Å; D648-K650 PolarHBondContact OD1-N 2.85Å
651K86.5Confident91.8Very high144 Ų14451.4 Ų51.463%0.62625%0.247SC*.THydrogen-bonded Turntrans-100-7.6-176.7-63.2-175.7-171.4168.10114.1D648 R653D648-K651 HydrophobicContact CB-CB 4.35Å; D648-K651 PolarHBondContact O-N 2.82Å; D648-K651 PolarHBondContact OD1-N 3.13Å; D648-K651 VanDerWaalsContact OD2-CD 3.26Å; D648-K651 WeakPolarHBondContact OD2-CD 3.4Å; D648-K651 WeakPolarHBondContact OD2-CG 3.36Å; K651-R653 WeakPolarHBondContact O-CG 3.18Å; K651-R653 PolarHBondContact O-N 3.12Å
652Q87.7Confident91.4Very high115 Ų11551.5 Ų51.554%0.53725%0.248SC..THydrogen-bonded Turntrans52.941.3-174.1-67.4-65-42.300112.6D648 V649D648-Q652 WeakPolarHBondContact O-CA 3.36Å; D648-Q652 PolarHBondContact O-N 3.39Å; V649-Q652 PolarHBondContact O-NE2 3.07Å
653R90.3Very high90.8Very high138 Ų13847.5 Ų47.552%0.52123%0.231SC..BIsolated β-bridgetrans-139.6156.2-175.9-69-178.5-156.2-75-2.9111.8D648 K651D648-R653 PolarHBondContact N-O 3.06Å; D648-R653 VanDerWaalsContact N-O 3.16Å; D648-R653 PolarHBondContact O-N 2.91Å; K651-R653 WeakPolarHBondContact O-CG 3.18Å; K651-R653 PolarHBondContact O-N 3.12Å
654S93.7Very high89.9Confident0 Ų046.8 Ų46.80%023%0.231CC..  trans-132.9157.8173.8-680000109.5A645 A646 A647 P656 K679 T680A645-S654 PolarHBondContact O-OG 2.89Å; A646-S654 WeakPolarHBondContact CA-OG 3.45Å; A647-S654 PolarHBondContact N-OG 2.9Å; S654-P656 WeakPolarHBondContact O-CD 3.25Å; S654-K679 CarbonylContact O-C 3.51Å; S654-K679 VanDerWaalsContact O-CA 3.32Å; S654-K679 WeakPolarHBondContact O-CA 3.34Å; S654-K679 PolarHBondContact O-N 3.39Å; S654-T680 PolarHBondContact O-N 3.16Å
655D95.1Very high88.5Confident33 Ų3348.3 Ų48.318%0.17624%0.24CC..  trans-107.873166.9-64.3-19.6000109.1V676 V677 K678 K679 H709 R710D655-V676 HydrophobicContact CB-CG1 4.06Å; D655-V677 CarbonylContact C-O 3.41Å; D655-V677 VanDerWaalsContact CA-O 3.31Å; D655-V677 WeakPolarHBondContact CA-O 3.15Å; D655-K678 VanDerWaalsContact OD1-CA 3.25Å; D655-K678 WeakPolarHBondContact OD1-CA 3.44Å; D655-K679 PolarHBondContact OD1-N 3.48Å; D655-H709 PolarHBondContact N-CE1 3.43Å; D655-H709 PolarHBondContact N-ND1 3.21Å; D655-H709 WeakPolarHBondContact O-CA 3.41Å; D655-R710 HydrophobicContact CB-CB 4.42Å; D655-R710 PolarHBondContact O-N 3.38Å
656P96.8Very high86.9Confident0 Ų056 Ų560%027%0.271CS..EExtended strand (participates in β ladder)trans-73.5148.9-171.831.5-40.6000114.2L644 S654 V677 T680 P683 Y685 V707 W708 L719L644-P656 HydrophobicContact CD1-CB 3.52Å; L644-P656 HydrophobicContact CD1-CG 3.88Å; S654-P656 WeakPolarHBondContact O-CD 3.25Å; P656-V677 WeakPolarHBondContact CD-O 3.47Å; P656-V677 PolarHBondContact O-N 3.19Å; P656-T680 VanDerWaalsContact CD-O 3.26Å; P656-T680 WeakPolarHBondContact CD-O 3.49Å; P656-T680 HydrophobicContact CG-CG2 4.12Å; P656-P683 HydrophobicContact CB-CG 4.03Å; P656-P683 HydrophobicContact CG-CB 3.66Å; P656-P683 HydrophobicContact CG-CG 3.46Å; P656-P683 VanDerWaalsContact CG-CG 3.46Å; P656-Y685 VanDerWaalsContact C-OH 3.29Å; P656-Y685 WeakPolarHBondContact CB-OH 3.18Å; P656-Y685 PolarHBondContact O-OH 2.9Å; P656-V707 HydrophobicContact CB-CG1 4.35Å; P656-W708 CarbonylContact C-O 3.49Å; P656-W708 VanDerWaalsContact CA-O 3.22Å; P656-W708 WeakPolarHBondContact CA-O 3.46Å; P656-L719 HydrophobicContact CB-CD1 4.13Å
657Y97.3Very high85.2Confident13 Ų1357.4 Ų57.45%0.05129%0.287CS..EExtended strand (participates in β ladder)trans-145.7153.8164.368.6-81.8000110.5K659 K673 V676 Y685 W708 R710 N716Y657-K659 HydrophobicContact CD2-CB 4.35Å; Y657-K659 HydrophobicContact CE2-CB 4.11Å; Y657-K659 HydrophobicContact CE2-CD 3.88Å; Y657-K659 HydrophobicContact CE2-CG 4.07Å; Y657-K659 PolarHBondContact OH-NZ 3.46Å; Y657-K673 HydrophobicContact CD2-CB 4.49Å; Y657-V676 HydrophobicContact CD1-CG2 4Å; Y657-V676 HydrophobicContact CG-CG2 4.07Å; Y657-Y685 WeakPolarHBondContact CA-OH 3.25Å; Y657-Y685 PolarHBondContact N-OH 2.77Å; Y657-W708 HydrophobicContact CD1-CB 4.01Å; Y657-W708 WeakPolarHBondContact CD1-O 3.46Å; Y657-W708 HydrophobicContact CD2-CB 4.48Å; Y657-W708 HydrophobicContact CE1-CB 3.42Å; Y657-W708 VanDerWaalsContact CE1-CB 3.42Å; Y657-W708 HydrophobicContact CE1-CG 4.49Å; Y657-W708 HydrophobicContact CE2-CB 3.97Å; Y657-W708 HydrophobicContact CE2-CG 4.34Å; Y657-W708 AromaticContact CZ-CG 4Å; Y657-W708 PolarHBondContact N-O 2.9Å; Y657-W708 PolarHBondContact O-N 2.79Å; Y657-R710 HydrophobicContact CD1-CB 4.16Å; Y657-R710 HydrophobicContact CE1-CB 4.1Å; Y657-N716 PolarHBondContact OH-ND2 3.02Å
658V97.1Very high83.7Confident0 Ų065.6 Ų65.60%032%0.319CS..EExtended strand (participates in β ladder)trans-104.8144.7-179.6-1770000110.5V638 T660 K673 T674 Y685 L705 S706 V707V638-V658 HydrophobicContact CG1-CB 4.1Å; V638-V658 HydrophobicContact CG1-CG1 4.17Å; V638-V658 HydrophobicContact CG1-CG2 3.88Å; V638-V658 HydrophobicContact CG2-CG1 4.25Å; V658-T660 HydrophobicContact CG1-CG2 4.4Å; V658-K673 CarbonylContact O-C 3.54Å; V658-K673 WeakPolarHBondContact O-CA 3.31Å; V658-K673 WeakPolarHBondContact O-CB 3.24Å; V658-T674 HydrophobicContact CB-CG2 3.94Å; V658-T674 PolarHBondContact N-OG1 2.94Å; V658-T674 PolarHBondContact O-N 3.22Å; V658-Y685 HydrophobicContact CG2-CD2 4.23Å; V658-Y685 HydrophobicContact CG2-CE2 3.58Å; V658-L705 HydrophobicContact CG1-CD1 4.03Å; V658-L705 HydrophobicContact CG1-CD2 3.5Å; V658-L705 HydrophobicContact CG1-CG 3.56Å; V658-S706 CarbonylContact C-O 3.47Å; V658-S706 WeakPolarHBondContact CA-O 3.44Å; V658-V707 HydrophobicContact CG2-CG2 4.21Å
659K94.9Very high82.5Confident23 Ų2368.4 Ų68.410%0.133%0.331CS..EExtended strand (participates in β ladder)trans-146.297.3-160.3-165.9-168-161.2166.30107.9Y657 Y661 K672 S706 W708Y657-K659 HydrophobicContact CD2-CB 4.35Å; Y657-K659 HydrophobicContact CE2-CB 4.11Å; Y657-K659 HydrophobicContact CE2-CD 3.88Å; Y657-K659 HydrophobicContact CE2-CG 4.07Å; Y657-K659 PolarHBondContact OH-NZ 3.46Å; K659-Y661 HydrophobicContact CD-CE2 4.36Å; K659-Y661 WeakPolarHBondContact CD-OH 3.37Å; K659-Y661 WeakPolarHBondContact CE-OH 3.43Å; K659-Y661 HydrophobicContact CG-CE2 4.03Å; K659-Y661 WeakPolarHBondContact CG-OH 3.36Å; K659-K672 CarbonylContact C-O 3.49Å; K659-K672 WeakPolarHBondContact CA-O 3.34Å; K659-S706 WeakPolarHBondContact CB-O 2.79Å; K659-S706 PolarHBondContact N-O 3.09Å; K659-S706 PolarHBondContact O-N 2.95Å; K659-S706 PolarHBondContact O-OG 3.49Å; K659-W708 HydrophobicContact CD-CD2 4Å; K659-W708 HydrophobicContact CD-CG 3.84Å; K659-W708 HydrophobicContact CD-CZ2 4.17Å; K659-W708 VanDerWaalsContact NZ-CZ2 3.34Å
660T94.4Very high82Confident0 Ų063.8 Ų63.80%031%0.305CS..EExtended strand (participates in β ladder)trans-97.8148.3-172.957.40000112V636 V658 K671 K672 L689 Y691 N704 L705V636-T660 HydrophobicContact CG1-CG2 4.25Å; V658-T660 HydrophobicContact CG1-CG2 4.4Å; T660-K671 WeakPolarHBondContact O-CA 3.34Å; T660-K672 PolarHBondContact N-O 3.45Å; T660-K672 PolarHBondContact O-N 3.22Å; T660-L689 HydrophobicContact CG2-CD1 3.84Å; T660-L689 WeakPolarHBondContact OG1-CD1 3.31Å; T660-Y691 WeakPolarHBondContact CB-OH 3.19Å; T660-Y691 PolarHBondContact O-OH 2.84Å; T660-Y691 PolarHBondContact OG1-OH 3.25Å; T660-N704 CarbonylContact C-O 3.5Å; T660-N704 VanDerWaalsContact CA-O 3.25Å; T660-N704 WeakPolarHBondContact CA-O 3.43Å; T660-L705 HydrophobicContact CG2-CB 4Å; T660-L705 HydrophobicContact CG2-CD1 3.91Å; T660-L705 HydrophobicContact CG2-CG 3.74Å
661Y91Very high82.3Confident1 Ų157.3 Ų57.30%0.00428%0.277CS..EExtended strand (participates in β ladder)trans-135.7141.9176.8-56.6-90.4000110.6S603 S606 V607 K659 G670 K671 L703 N704S603-Y661 WeakPolarHBondContact O-CE1 3.28Å; S606-Y661 PolarHBondContact OG-OH 2.96Å; V607-Y661 HydrophobicContact CG2-CD1 4.09Å; V607-Y661 HydrophobicContact CG2-CD2 3.77Å; V607-Y661 HydrophobicContact CG2-CE1 4.11Å; V607-Y661 HydrophobicContact CG2-CE2 3.82Å; V607-Y661 HydrophobicContact CG2-CG 3.93Å; K659-Y661 HydrophobicContact CD-CE2 4.36Å; K659-Y661 WeakPolarHBondContact CD-OH 3.37Å; K659-Y661 WeakPolarHBondContact CE-OH 3.43Å; K659-Y661 HydrophobicContact CG-CE2 4.03Å; K659-Y661 WeakPolarHBondContact CG-OH 3.36Å; Y661-G670 VanDerWaalsContact CA-O 3.31Å; Y661-G670 WeakPolarHBondContact CA-O 3.25Å; Y661-K671 HydrophobicContact CD1-CB 4.21Å; Y661-K671 HydrophobicContact CD1-CD 4.28Å; Y661-K671 HydrophobicContact CD1-CG 4.02Å; Y661-K671 HydrophobicContact CE1-CB 4.23Å; Y661-K671 HydrophobicContact CE1-CD 3.54Å; Y661-K671 VanDerWaalsContact CE1-CE 3.4Å; Y661-K671 HydrophobicContact CE1-CG 3.55Å; Y661-K671 WeakPolarHBondContact OH-CE 2.98Å; Y661-L703 WeakPolarHBondContact O-CA 3.36Å; Y661-N704 PolarHBondContact N-O 3.01Å; Y661-N704 PolarHBondContact O-N 2.85Å
662L89.7Confident82.6Confident6 Ų653.6 Ų53.63%0.03126%0.261CS..EExtended strand (participates in β ladder)trans-100.9120164.2-68.3178.1000108.2L634 D665 G670 Y691 I693 L703 L726L634-L662 HydrophobicContact CD2-CD1 4.28Å; L634-L662 HydrophobicContact CD2-CD2 3.83Å; L662-D665 VanDerWaalsContact O-CA 3.31Å; L662-D665 WeakPolarHBondContact O-CA 3.18Å; L662-D665 PolarHBondContact O-N 2.89Å; L662-G670 PolarHBondContact N-O 3.5Å; L662-Y691 HydrophobicContact CD1-CD1 3.51Å; L662-Y691 HydrophobicContact CD1-CD2 4.1Å; L662-Y691 HydrophobicContact CD1-CE1 4.12Å; L662-Y691 HydrophobicContact CD1-CG 3.5Å; L662-Y691 VanDerWaalsContact CD1-CG 3.5Å; L662-Y691 HydrophobicContact CG-CD1 3.97Å; L662-Y691 HydrophobicContact CG-CD2 4.36Å; L662-Y691 HydrophobicContact CG-CE1 4.05Å; L662-Y691 HydrophobicContact CG-CE2 4.45Å; L662-Y691 HydrophobicContact CG-CG 4.12Å; L662-I693 HydrophobicContact CD1-CD1 4.28Å; L662-I693 HydrophobicContact CD1-CG2 4.33Å; L662-L703 HydrophobicContact CD2-CB 4.34Å; L662-L703 HydrophobicContact CD2-CD1 3.83Å; L662-L726 HydrophobicContact CD2-CD1 3.8Å
663L84.7Confident83Confident20 Ų2055 Ų5511%0.10527%0.265CS..EExtended strand (participates in β ladder)trans-115.5133.8-175.4-57.3177.1000109.2V604 Q701 K702 N704V604-L663 HydrophobicContact CG1-CD2 3.9Å; L663-Q701 VanDerWaalsContact C-OE1 3.28Å; L663-Q701 CarbonylContact O-C 3.45Å; L663-Q701 WeakPolarHBondContact O-CA 3.45Å; L663-Q701 PolarHBondContact O-OE1 3.16Å; L663-K702 HydrophobicContact CB-CB 4.5Å; L663-K702 PolarHBondContact N-O 2.91Å; L663-K702 PolarHBondContact O-N 2.9Å; L663-N704 HydrophobicContact CD1-CB 3.84Å; L663-N704 HydrophobicContact CG-CB 4.49Å
664P76.3Confident83.3Confident76 Ų7648.7 Ų48.749%0.49424%0.242SC..SBendcis-72.7128.6-5.328.7-33.5000112.4K666 T700 Q701P664-K666 PolarHBondContact O-N 3.18Å; P664-K666 VanDerWaalsContact O-N 3.08Å; P664-T700 WeakPolarHBondContact CD-O 3.46Å; P664-Q701 PolarHBondContact O-NE2 2.83Å; P664-Q701 PolarHBondContact O-OE1 3.33Å
665D65.5Low83.4Confident37 Ų3754.8 Ų54.820%0.19827%0.274CS..  trans-65108.5-176.2-174.33.2000111.6S603 V604 L662 G667 G670S603-D665 WeakPolarHBondContact CB-OD2 3.34Å; S603-D665 PolarHBondContact OG-OD2 3.03Å; V604-D665 HydrophobicContact CG1-CB 4.45Å; L662-D665 VanDerWaalsContact O-CA 3.31Å; L662-D665 WeakPolarHBondContact O-CA 3.18Å; L662-D665 PolarHBondContact O-N 2.89Å; D665-G667 VanDerWaalsContact CG-O 3.23Å; D665-G667 PolarHBondContact O-N 2.85Å; D665-G667 PolarHBondContact OD1-N 2.97Å; D665-G667 VanDerWaalsContact OD1-O 3.11Å; D665-G670 VanDerWaalsContact OD1-CA 3.27Å; D665-G670 WeakPolarHBondContact OD1-CA 3.11Å; D665-G670 PolarHBondContact OD1-N 2.88Å
666K58Low83.5Confident170 Ų17055.2 Ų55.274%0.73928%0.277SS*.  trans-81.669.2170.3-57.2-63.8-176.9-1770109.8P664P664-K666 PolarHBondContact O-N 3.18Å; P664-K666 VanDerWaalsContact O-N 3.08Å
667G57.6Low83.5Confident45 Ų4557.3 Ų57.346%0.46429%0.29SS..SBendtrans122.7-150.9167.100000115.8D665 M669D665-G667 VanDerWaalsContact CG-O 3.23Å; D665-G667 PolarHBondContact O-N 2.85Å; D665-G667 PolarHBondContact OD1-N 2.97Å; D665-G667 VanDerWaalsContact OD1-O 3.11Å; G667-M669 VanDerWaalsContact C-N 3.34Å
668K54.9Low83.4Confident194 Ų19463.5 Ų63.584%0.84332%0.317SS*.SBendtrans-94.711.5179.2-66.7-174.3178.5-175.30112.7
669M58.9Low83.3Confident112 Ų11270.7 Ų70.755%0.55235%0.349SS*.  trans-117.7-13-166.4-162.470.2109.700113.6G667 K671G667-M669 VanDerWaalsContact C-N 3.34Å; M669-K671 PolarHBondContact O-N 2.87Å
670G70.3Confident83.3Confident7 Ų771.1 Ų71.17%0.07235%0.353CS..SBendtrans-74.938.717700000114.7Y661 L662 D665Y661-G670 VanDerWaalsContact CA-O 3.31Å; Y661-G670 WeakPolarHBondContact CA-O 3.25Å; L662-G670 PolarHBondContact N-O 3.5Å; D665-G670 VanDerWaalsContact OD1-CA 3.27Å; D665-G670 WeakPolarHBondContact OD1-CA 3.11Å; D665-G670 PolarHBondContact OD1-N 2.88Å
671K87.6Confident83.4Confident69 Ų6973.1 Ų73.130%0.336%0.364SS..EExtended strand (participates in β ladder)trans-148.2123.4-177.8-173.6167.1-166.5147.90111.9G602 S603 S606 T660 Y661 M669G602-K671 PolarHBondContact O-NZ 3.04Å; S603-K671 PolarHBondContact O-NZ 3.48Å; S606-K671 PolarHBondContact OG-NZ 3.44Å; T660-K671 WeakPolarHBondContact O-CA 3.34Å; Y661-K671 HydrophobicContact CD1-CB 4.21Å; Y661-K671 HydrophobicContact CD1-CD 4.28Å; Y661-K671 HydrophobicContact CD1-CG 4.02Å; Y661-K671 HydrophobicContact CE1-CB 4.23Å; Y661-K671 HydrophobicContact CE1-CD 3.54Å; Y661-K671 VanDerWaalsContact CE1-CE 3.4Å; Y661-K671 HydrophobicContact CE1-CG 3.55Å; Y661-K671 WeakPolarHBondContact OH-CE 2.98Å; M669-K671 PolarHBondContact O-N 2.87Å
672K93.2Very high83.7Confident66 Ų6677 Ų7729%0.28738%0.384SS..EExtended strand (participates in β ladder)trans-139.2157.3176.9-59.3-76.1166.5156.60110.5K659 T660 L689 R690 Y691K659-K672 CarbonylContact C-O 3.49Å; K659-K672 WeakPolarHBondContact CA-O 3.34Å; T660-K672 PolarHBondContact N-O 3.45Å; T660-K672 PolarHBondContact O-N 3.22Å; K672-L689 HydrophobicContact CB-CB 3.87Å; K672-L689 HydrophobicContact CB-CD1 4.12Å; K672-L689 HydrophobicContact CB-CD2 4.27Å; K672-L689 HydrophobicContact CB-CG 4.31Å; K672-L689 HydrophobicContact CG-CB 4.4Å; K672-R690 WeakPolarHBondContact CE-O 3.41Å; K672-R690 PolarHBondContact NZ-O 3.1Å; K672-Y691 HydrophobicContact CB-CE1 4.43Å; K672-Y691 HydrophobicContact CB-CE2 4.29Å; K672-Y691 WeakPolarHBondContact CB-OH 3.47Å; K672-Y691 HydrophobicContact CG-CD1 4.17Å; K672-Y691 HydrophobicContact CG-CD2 4.43Å; K672-Y691 HydrophobicContact CG-CE1 3.57Å; K672-Y691 HydrophobicContact CG-CE2 3.87Å; K672-Y691 WeakPolarHBondContact CG-OH 3.41Å; K672-Y691 PolarHBondContact N-OH 3.33Å; K672-Y691 VanDerWaalsContact N-OH 3.16Å
673K94.9Very high84Confident146 Ų14676.7 Ų76.764%0.63538%0.383SS*.EExtended strand (participates in β ladder)trans-146.3152.6177.665.6175.3-175.6174.50111.5Y657 V658 L689Y657-K673 HydrophobicContact CD2-CB 4.49Å; V658-K673 CarbonylContact O-C 3.54Å; V658-K673 WeakPolarHBondContact O-CA 3.31Å; V658-K673 WeakPolarHBondContact O-CB 3.24Å; K673-L689 WeakPolarHBondContact O-CD2 3.21Å
674T97.5Very high84.7Confident5 Ų579.4 Ų79.43%0.03140%0.4CS..PPolyproline II helixtrans-79.2173.7170.364.60000111.2V638 V658 Y685 E687 L689V638-T674 HydrophobicContact CB-CG2 4.13Å; V638-T674 HydrophobicContact CG1-CG2 4.22Å; V638-T674 HydrophobicContact CG2-CG2 4.32Å; V658-T674 HydrophobicContact CB-CG2 3.94Å; V658-T674 PolarHBondContact N-OG1 2.94Å; V658-T674 PolarHBondContact O-N 3.22Å; T674-Y685 HydrophobicContact CG2-CD1 4.24Å; T674-Y685 HydrophobicContact CG2-CG 4.24Å; T674-Y685 WeakPolarHBondContact OG1-CD1 3.42Å; T674-Y685 WeakPolarHBondContact OG1-CE1 3.32Å; T674-E687 VanDerWaalsContact CA-OE2 3.27Å; T674-E687 WeakPolarHBondContact CA-OE2 3.48Å; T674-E687 HydrophobicContact CG2-CB 4.23Å; T674-L689 HydrophobicContact CG2-CD1 4.23Å; T674-L689 HydrophobicContact CG2-CD2 4.33Å
675L96.4Very high85.7Confident127 Ų12776.7 Ų76.767%0.66538%0.38SS*.PPolyproline II helixtrans-64.3161.6162.2-60.5175.5000111Y685 E687L675-Y685 WeakPolarHBondContact O-CE1 3.46Å; L675-E687 VanDerWaalsContact CB-OE1 3.24Å; L675-E687 WeakPolarHBondContact CB-OE1 3.26Å; L675-E687 WeakPolarHBondContact CG-OE1 3.44Å; L675-E687 PolarHBondContact N-OE1 2.88Å; L675-E687 PolarHBondContact N-OE2 3.26Å
676V97Very high87.1Confident42 Ų4279.8 Ų79.826%0.25540%0.397SS..PPolyproline II helixtrans-93.3119.7177.7-179.10000108.2D655 Y657 R710D655-V676 HydrophobicContact CB-CG1 4.06Å; Y657-V676 HydrophobicContact CD1-CG2 4Å; Y657-V676 HydrophobicContact CG-CG2 4.07Å; V676-R710 HydrophobicContact CG1-CB 3.88Å; V676-R710 HydrophobicContact CG2-CB 4.31Å
677V97.1Very high89Confident44 Ų4473.9 Ų73.927%0.26737%0.372SS..PPolyproline II helixtrans-93.9124.4173.4-173.20000107.5D655 P656 T680 P683 Y685D655-V677 CarbonylContact C-O 3.41Å; D655-V677 VanDerWaalsContact CA-O 3.31Å; D655-V677 WeakPolarHBondContact CA-O 3.15Å; P656-V677 WeakPolarHBondContact CD-O 3.47Å; P656-V677 PolarHBondContact O-N 3.19Å; V677-T680 HydrophobicContact CB-CG2 4.14Å; V677-T680 HydrophobicContact CG1-CG2 3.54Å; V677-P683 HydrophobicContact CB-CB 3.85Å; V677-P683 HydrophobicContact CG1-CB 4.2Å; V677-P683 HydrophobicContact CG2-CB 4.04Å; V677-Y685 HydrophobicContact CB-CE1 4.47Å; V677-Y685 HydrophobicContact CG2-CD1 3.77Å; V677-Y685 HydrophobicContact CG2-CE1 3.65Å
678K95.1Very high90.8Very high144 Ų14476.1 Ų76.163%0.62637%0.372SS*.PPolyproline II helixtrans-88.2150.1-173-63.4-178.3-179.2175.90111.9D655 T680D655-K678 VanDerWaalsContact OD1-CA 3.25Å; D655-K678 WeakPolarHBondContact OD1-CA 3.44Å; K678-T680 VanDerWaalsContact C-N 3.34Å; K678-T680 PolarHBondContact O-N 2.91Å
679K93.6Very high92.8Very high150 Ų15067.4 Ų67.465%0.65234%0.335SS*.SBendtrans56.936.9165.5-60.4178.5-177.9177.40114.9S654 D655S654-K679 CarbonylContact O-C 3.51Å; S654-K679 VanDerWaalsContact O-CA 3.32Å; S654-K679 WeakPolarHBondContact O-CA 3.34Å; S654-K679 PolarHBondContact O-N 3.39Å; D655-K679 PolarHBondContact OD1-N 3.48Å
680T95.7Very high94.4Very high33 Ų3367.4 Ų67.420%0.20233%0.329CS..  trans-139.8148.3-178.3-173.80000112.4S654 P656 V677 K678 N682 P683S654-T680 PolarHBondContact O-N 3.16Å; P656-T680 VanDerWaalsContact CD-O 3.26Å; P656-T680 WeakPolarHBondContact CD-O 3.49Å; P656-T680 HydrophobicContact CG-CG2 4.12Å; V677-T680 HydrophobicContact CB-CG2 4.14Å; V677-T680 HydrophobicContact CG1-CG2 3.54Å; K678-T680 VanDerWaalsContact C-N 3.34Å; K678-T680 PolarHBondContact O-N 2.91Å; T680-N682 PolarHBondContact OG1-N 3.11Å; T680-N682 PolarHBondContact OG1-O 2.91Å; T680-P683 HydrophobicContact CG2-CB 3.85Å
681L96Very high95.5Very high41 Ų4167.3 Ų67.322%0.21533%0.326CS..SBendtrans-99.3-8.8168.1-55-177.8000112.1L644 A646 P683L644-L681 HydrophobicContact CB-CB 4.45Å; L644-L681 WeakPolarHBondContact CB-O 3.34Å; L644-L681 VanDerWaalsContact CG-O 3.28Å; L644-L681 WeakPolarHBondContact CG-O 3.47Å; L644-L681 PolarHBondContact N-O 3.5Å; L644-L681 VanDerWaalsContact N-O 3.08Å; L644-L681 WeakPolarHBondContact O-CD2 3.25Å; A646-L681 HydrophobicContact CB-CD1 4.4Å; A646-L681 HydrophobicContact CB-CD2 4.08Å; L681-P683 VanDerWaalsContact C-CD 3.41Å; L681-P683 WeakPolarHBondContact O-CD 2.97Å
682N96.9Very high95.6Very high82 Ų8271.6 Ų71.644%0.43935%0.345SS..SBendtrans-125.665.1-179-59.7-61.4000109.8C641 K642 D643 T680C641-N682 CarbonylContact O-C 3.35Å; C641-N682 VanDerWaalsContact O-CA 3.26Å; C641-N682 WeakPolarHBondContact O-CA 3.22Å; K642-N682 VanDerWaalsContact CA-OD1 3.25Å; K642-N682 WeakPolarHBondContact CA-OD1 3.39Å; D643-N682 PolarHBondContact N-OD1 3.2Å; T680-N682 PolarHBondContact OG1-N 3.11Å; T680-N682 PolarHBondContact OG1-O 2.91Å
683P97.3Very high95.3Very high1 Ų169.7 Ų69.71%0.00634%0.338CS..  trans-70.5140.1-178.931.7-38.4000111.6Q640 C641 L644 P656 V677 T680 L681 Y685Q640-P683 CarbonylContact C-O 3.51Å; Q640-P683 WeakPolarHBondContact CA-O 3.4Å; Q640-P683 WeakPolarHBondContact CB-O 3.47Å; C641-P683 HydrophobicContact CB-CG 3.73Å; C641-P683 PolarHBondContact N-O 2.85Å; L644-P683 HydrophobicContact CD1-CG 3.77Å; P656-P683 HydrophobicContact CB-CG 4.03Å; P656-P683 HydrophobicContact CG-CB 3.66Å; P656-P683 HydrophobicContact CG-CG 3.46Å; P656-P683 VanDerWaalsContact CG-CG 3.46Å; V677-P683 HydrophobicContact CB-CB 3.85Å; V677-P683 HydrophobicContact CG1-CB 4.2Å; V677-P683 HydrophobicContact CG2-CB 4.04Å; T680-P683 HydrophobicContact CG2-CB 3.85Å; L681-P683 VanDerWaalsContact C-CD 3.41Å; L681-P683 WeakPolarHBondContact O-CD 2.97Å; P683-Y685 HydrophobicContact CB-CE1 4.18Å; P683-Y685 HydrophobicContact CB-CE2 3.82Å; P683-Y685 HydrophobicContact CG-CE2 3.66Å; P683-Y685 WeakPolarHBondContact CG-OH 3.3Å
684V97.9Very high95Very high76 Ų7666 Ų6646%0.46132%0.323SS..EExtended strand (participates in β ladder)trans-110.8123.7168.5-177.70000107.4Q640 N686Q640-V684 HydrophobicContact CB-CB 4.43Å; Q640-V684 HydrophobicContact CB-CG2 4.1Å; V684-N686 WeakPolarHBondContact CG1-ND2 3.31Å
685Y97.6Very high94.5Very high19 Ų1970.4 Ų70.48%0.07534%0.338CS..EExtended strand (participates in β ladder)trans-106-51-178.2-56.1-79.5000111.2V638 A639 P656 Y657 V658 T674 L675 V677 P683 E687V638-Y685 HydrophobicContact CG1-CD2 3.86Å; V638-Y685 HydrophobicContact CG1-CE2 4.49Å; V638-Y685 HydrophobicContact CG1-CG 4.44Å; A639-Y685 PolarHBondContact O-N 3.29Å; P656-Y685 VanDerWaalsContact C-OH 3.29Å; P656-Y685 WeakPolarHBondContact CB-OH 3.18Å; P656-Y685 PolarHBondContact O-OH 2.9Å; Y657-Y685 WeakPolarHBondContact CA-OH 3.25Å; Y657-Y685 PolarHBondContact N-OH 2.77Å; V658-Y685 HydrophobicContact CG2-CD2 4.23Å; V658-Y685 HydrophobicContact CG2-CE2 3.58Å; T674-Y685 HydrophobicContact CG2-CD1 4.24Å; T674-Y685 HydrophobicContact CG2-CG 4.24Å; T674-Y685 WeakPolarHBondContact OG1-CD1 3.42Å; T674-Y685 WeakPolarHBondContact OG1-CE1 3.32Å; L675-Y685 WeakPolarHBondContact O-CE1 3.46Å; V677-Y685 HydrophobicContact CB-CE1 4.47Å; V677-Y685 HydrophobicContact CG2-CD1 3.77Å; V677-Y685 HydrophobicContact CG2-CE1 3.65Å; P683-Y685 HydrophobicContact CB-CE1 4.18Å; P683-Y685 HydrophobicContact CB-CE2 3.82Å; P683-Y685 HydrophobicContact CG-CE2 3.66Å; P683-Y685 WeakPolarHBondContact CG-OH 3.3Å; Y685-E687 PolarHBondContact O-N 3.26Å
686N96.6Very high94Very high102 Ų10270.3 Ų70.355%0.54534%0.335SS..EExtended strand (participates in β ladder)trans49.445.7-171.6-61.3-29.5000112.6F637 V638 A639 V684F637-N686 HydrophobicContact CE2-CB 4.37Å; F637-N686 HydrophobicContact CZ-CB 4.48Å; V638-N686 WeakPolarHBondContact O-CA 3.38Å; V638-N686 PolarHBondContact O-N 2.82Å; V638-N686 VanDerWaalsContact O-N 3.14Å; A639-N686 PolarHBondContact O-N 3.45Å; A639-N686 PolarHBondContact O-OD1 2.94Å; V684-N686 WeakPolarHBondContact CG1-ND2 3.31Å
687E97Very high93.4Very high47 Ų4772.9 Ų72.922%0.2234%0.343CS..EExtended strand (participates in β ladder)trans-113.8139.4-176.2-73.3-176.5-127.500112V638 T674 L675 Y685V638-E687 PolarHBondContact N-O 3.31Å; V638-E687 PolarHBondContact O-N 2.73Å; T674-E687 VanDerWaalsContact CA-OE2 3.27Å; T674-E687 WeakPolarHBondContact CA-OE2 3.48Å; T674-E687 HydrophobicContact CG2-CB 4.23Å; L675-E687 VanDerWaalsContact CB-OE1 3.24Å; L675-E687 WeakPolarHBondContact CB-OE1 3.26Å; L675-E687 WeakPolarHBondContact CG-OE1 3.44Å; L675-E687 PolarHBondContact N-OE1 2.88Å; L675-E687 PolarHBondContact N-OE2 3.26Å; Y685-E687 PolarHBondContact O-N 3.26Å
688I96.1Very high92.9Very high92 Ų9270.8 Ų70.847%0.47233%0.33SS..EExtended strand (participates in β ladder)trans-101.1114.9174.4-57173000109.8H635 F637 R690H635-I688 HydrophobicContact CB-CG2 3.79Å; F637-I688 HydrophobicContact CB-CG1 4.27Å; F637-I688 HydrophobicContact CD2-CD1 4.49Å; F637-I688 HydrophobicContact CD2-CG1 3.58Å; F637-I688 HydrophobicContact CE2-CG1 4.37Å; F637-I688 HydrophobicContact CG-CG1 4.3Å; I688-R690 HydrophobicContact CG2-CG 3.91Å
689L95.4Very high92.3Very high11 Ų1170.3 Ų70.36%0.05833%0.328CS..EExtended strand (participates in β ladder)trans-92.3113.8174.4-53.3-179.1000109.6V636 V638 T660 K672 K673 T674V636-L689 HydrophobicContact CB-CB 4.28Å; V636-L689 PolarHBondContact N-O 2.81Å; V636-L689 PolarHBondContact O-N 3.43Å; V638-L689 HydrophobicContact CG2-CD1 4.13Å; V638-L689 HydrophobicContact CG2-CG 4.48Å; T660-L689 HydrophobicContact CG2-CD1 3.84Å; T660-L689 WeakPolarHBondContact OG1-CD1 3.31Å; K672-L689 HydrophobicContact CB-CB 3.87Å; K672-L689 HydrophobicContact CB-CD1 4.12Å; K672-L689 HydrophobicContact CB-CD2 4.27Å; K672-L689 HydrophobicContact CB-CG 4.31Å; K672-L689 HydrophobicContact CG-CB 4.4Å; K673-L689 WeakPolarHBondContact O-CD2 3.21Å; T674-L689 HydrophobicContact CG2-CD1 4.23Å; T674-L689 HydrophobicContact CG2-CD2 4.33Å
690R94.2Very high91.9Very high112 Ų11267.2 Ų67.242%0.42332%0.322SS..EExtended strand (participates in β ladder)trans-101.3128.2-172.2-61170.764.71763.3112.5E633 H635 K672 I688E633-R690 IonicContact OE1-NH2 2.91Å; E633-R690 IonicContact OE2-CZ 3.37Å; E633-R690 IonicContact OE2-NE 2.66Å; E633-R690 PolarHBondContact OE2-NE 3.35Å; E633-R690 IonicContact OE2-NH2 3.54Å; E633-R690 PolarHBondContact OE2-NH2 3Å; H635-R690 PolarHBondContact NE2-NE 3.01Å; K672-R690 WeakPolarHBondContact CE-O 3.41Å; K672-R690 PolarHBondContact NZ-O 3.1Å; I688-R690 HydrophobicContact CG2-CG 3.91Å
691Y91.6Very high91.4Very high4 Ų465.9 Ų65.92%0.01631%0.313CS..EExtended strand (participates in β ladder)trans-114.7126.4174.6-69.9-83.1000110.6E633 L634 V636 T660 L662 K672 I693E633-Y691 CarbonylContact C-O 3.42Å; E633-Y691 WeakPolarHBondContact CA-O 3.24Å; E633-Y691 WeakPolarHBondContact CB-O 3.45Å; L634-Y691 HydrophobicContact CD2-CD2 4.48Å; L634-Y691 PolarHBondContact N-O 3.42Å; L634-Y691 PolarHBondContact O-N 2.78Å; V636-Y691 HydrophobicContact CG2-CD2 4.14Å; V636-Y691 HydrophobicContact CG2-CE2 4.04Å; T660-Y691 WeakPolarHBondContact CB-OH 3.19Å; T660-Y691 PolarHBondContact O-OH 2.84Å; T660-Y691 PolarHBondContact OG1-OH 3.25Å; L662-Y691 HydrophobicContact CD1-CD1 3.51Å; L662-Y691 HydrophobicContact CD1-CD2 4.1Å; L662-Y691 HydrophobicContact CD1-CE1 4.12Å; L662-Y691 HydrophobicContact CD1-CG 3.5Å; L662-Y691 VanDerWaalsContact CD1-CG 3.5Å; L662-Y691 HydrophobicContact CG-CD1 3.97Å; L662-Y691 HydrophobicContact CG-CD2 4.36Å; L662-Y691 HydrophobicContact CG-CE1 4.05Å; L662-Y691 HydrophobicContact CG-CE2 4.45Å; L662-Y691 HydrophobicContact CG-CG 4.12Å; K672-Y691 HydrophobicContact CB-CE1 4.43Å; K672-Y691 HydrophobicContact CB-CE2 4.29Å; K672-Y691 WeakPolarHBondContact CB-OH 3.47Å; K672-Y691 HydrophobicContact CG-CD1 4.17Å; K672-Y691 HydrophobicContact CG-CD2 4.43Å; K672-Y691 HydrophobicContact CG-CE1 3.57Å; K672-Y691 HydrophobicContact CG-CE2 3.87Å; K672-Y691 WeakPolarHBondContact CG-OH 3.41Å; K672-Y691 PolarHBondContact N-OH 3.33Å; K672-Y691 VanDerWaalsContact N-OH 3.16Å; Y691-I693 PolarHBondContact O-N 3.36Å
692K90.1Very high91.1Very high160 Ų16067 Ų6770%0.69632%0.316SS*.EExtended strand (participates in β ladder)trans-84.199.9173-67.1-175177.3-167.60109.1E633E633-K692 HydrophobicContact CG-CG 3.84Å; E633-K692 WeakPolarHBondContact OE1-CE 3.37Å
693I87.6Confident90.9Very high26 Ų2663.2 Ų63.213%0.13330%0.296CS..  trans-149.9136.8-177-176.6160.9000108.3Y627 K632 L634 L662 Y691 F697 L698 Q701Y627-I693 VanDerWaalsContact CE2-O 3.26Å; Y627-I693 WeakPolarHBondContact CE2-O 3.49Å; Y627-I693 PolarHBondContact OH-O 3.39Å; K632-I693 CarbonylContact C-O 3.54Å; K632-I693 PolarHBondContact O-N 3.15Å; K632-I693 VanDerWaalsContact O-N 3.14Å; L634-I693 HydrophobicContact CB-CG2 3.88Å; L662-I693 HydrophobicContact CD1-CD1 4.28Å; L662-I693 HydrophobicContact CD1-CG2 4.33Å; Y691-I693 PolarHBondContact O-N 3.36Å; I693-F697 HydrophobicContact CD1-CB 3.97Å; I693-F697 HydrophobicContact CG1-CB 3.89Å; I693-L698 HydrophobicContact CD1-CD2 4.06Å; I693-L698 HydrophobicContact CG1-CD2 4.28Å; I693-L698 HydrophobicContact CG2-CD2 3.58Å; I693-L698 HydrophobicContact CG2-CG 4.23Å; I693-Q701 HydrophobicContact CD1-CG 4.02Å
694E87.4Confident90.7Very high69 Ų6963.2 Ų63.232%0.32230%0.296SS..  trans-78.2147.9177-52.2-169.6141.800110.9Y627 K632 Q696 F697Y627-E694 WeakPolarHBondContact OH-CA 2.89Å; K632-E694 HydrophobicContact CD-CG 4.31Å; K632-E694 IonicContact NZ-OE1 3.69Å; K632-E694 PolarHBondContact NZ-OE1 3.3Å; E694-Q696 HydrophobicContact CB-CG 4.06Å; E694-Q696 PolarHBondContact O-N 2.75Å; E694-Q696 VanDerWaalsContact O-N 3.09Å; E694-Q696 PolarHBondContact OE2-NE2 3.45Å; E694-F697 HydrophobicContact CB-CD2 3.92Å; E694-F697 HydrophobicContact CB-CE2 4.29Å; E694-F697 HydrophobicContact CG-CD2 4.44Å; E694-F697 HydrophobicContact CG-CE2 4.49Å; E694-F697 PolarHBondContact O-N 2.75Å
695R87.2Confident90.5Very high96 Ų9659.6 Ų59.636%0.36227%0.274SS..Hα-helixtrans-52.7-37.2-175.7-164.8173-177.8-1632.6113.1Y627 E629 F697 L698 D732Y627-R695 HydrophobicContact CD1-CB 4.27Å; Y627-R695 HydrophobicContact CD1-CG 4.21Å; Y627-R695 HydrophobicContact CE1-CB 3.6Å; Y627-R695 HydrophobicContact CE1-CG 4.04Å; Y627-R695 PolarHBondContact OH-N 2.7Å; E629-R695 WeakPolarHBondContact OE2-CD 3.44Å; R695-F697 VanDerWaalsContact C-N 3.26Å; R695-F697 PolarHBondContact O-N 3.33Å; R695-L698 WeakPolarHBondContact O-CB 3.16Å; R695-L698 PolarHBondContact O-N 3.06Å; R695-D732 IonicContact NH2-OD1 3.51Å; R695-D732 PolarHBondContact NH2-OD1 2.65Å
696Q86Confident90.4Very high125 Ų12558.8 Ų58.858%0.58427%0.271SS*.Hα-helixtrans-59.6-33.5178.560.9-178.9-0.700113.5E694E694-Q696 HydrophobicContact CB-CG 4.06Å; E694-Q696 PolarHBondContact O-N 2.75Å; E694-Q696 VanDerWaalsContact O-N 3.09Å; E694-Q696 PolarHBondContact OE2-NE2 3.45Å
697F85.3Confident90.3Very high97 Ų9753.9 Ų53.943%0.42525%0.245SC..Hα-helixtrans-84-20.6-179.6-63.4-66.5000112.6I693 E694 R695 K699 T700 Q701I693-F697 HydrophobicContact CD1-CB 3.97Å; I693-F697 HydrophobicContact CG1-CB 3.89Å; E694-F697 HydrophobicContact CB-CD2 3.92Å; E694-F697 HydrophobicContact CB-CE2 4.29Å; E694-F697 HydrophobicContact CG-CD2 4.44Å; E694-F697 HydrophobicContact CG-CE2 4.49Å; E694-F697 PolarHBondContact O-N 2.75Å; R695-F697 VanDerWaalsContact C-N 3.26Å; R695-F697 PolarHBondContact O-N 3.33Å; F697-K699 PolarHBondContact O-N 2.64Å; F697-T700 PolarHBondContact O-N 3.47Å; F697-T700 PolarHBondContact O-OG1 2.84Å; F697-Q701 VanDerWaalsContact O-CG 3.26Å; F697-Q701 WeakPolarHBondContact O-CG 3.3Å
698L86.6Confident90.2Very high0 Ų052.5 Ų52.50%024%0.238CC..Hα-helixtrans-59-36.6178.9-71.3176.3000112.4Y627 L634 I693 R695 T700 Q701 L726 W731Y627-L698 HydrophobicContact CD2-CD1 3.37Å; Y627-L698 HydrophobicContact CE2-CD1 3.71Å; Y627-L698 HydrophobicContact CG-CD1 3.97Å; L634-L698 HydrophobicContact CB-CD2 4.19Å; L634-L698 HydrophobicContact CD2-CD2 3.91Å; L634-L698 HydrophobicContact CG-CD2 4.44Å; I693-L698 HydrophobicContact CD1-CD2 4.06Å; I693-L698 HydrophobicContact CG1-CD2 4.28Å; I693-L698 HydrophobicContact CG2-CD2 3.58Å; I693-L698 HydrophobicContact CG2-CG 4.23Å; R695-L698 WeakPolarHBondContact O-CB 3.16Å; R695-L698 PolarHBondContact O-N 3.06Å; L698-T700 PolarHBondContact O-N 3.38Å; L698-Q701 PolarHBondContact O-N 3.35Å; L698-L726 HydrophobicContact CD2-CD1 4.01Å; L698-L726 VanDerWaalsContact O-CB 3.25Å; L698-L726 WeakPolarHBondContact O-CB 3.27Å; L698-W731 HydrophobicContact CB-CZ2 4.14Å; L698-W731 HydrophobicContact CD1-CH2 3.88Å; L698-W731 HydrophobicContact CD1-CZ2 3.93Å; L698-W731 HydrophobicContact CD1-CZ3 4.38Å
699K83.2Confident90Very high133 Ų13348.9 Ų48.958%0.57822%0.219SC*.THydrogen-bonded Turntrans-62.8-13.2177.8-61.9-173.6177.8-171.70114.3F697 E727F697-K699 PolarHBondContact O-N 2.64Å; K699-E727 VanDerWaalsContact O-CB 3.29Å; K699-E727 WeakPolarHBondContact O-CB 3.29Å
700T83.6Confident89.9Confident85 Ų8554 Ų5452%0.52124%0.237SC..THydrogen-bonded Turntrans-10610.2179.966.90000112.5P664 F697 L698P664-T700 WeakPolarHBondContact CD-O 3.46Å; F697-T700 PolarHBondContact O-N 3.47Å; F697-T700 PolarHBondContact O-OG1 2.84Å; L698-T700 PolarHBondContact O-N 3.38Å
701Q86.5Confident89.6Confident5 Ų550.4 Ų50.42%0.02323%0.227CC..  trans-122.9149.7-170-61.4-74.3-52.700110.9L663 P664 I693 F697 L698 L726L663-Q701 VanDerWaalsContact C-OE1 3.28Å; L663-Q701 CarbonylContact O-C 3.45Å; L663-Q701 WeakPolarHBondContact O-CA 3.45Å; L663-Q701 PolarHBondContact O-OE1 3.16Å; P664-Q701 PolarHBondContact O-NE2 2.83Å; P664-Q701 PolarHBondContact O-OE1 3.33Å; I693-Q701 HydrophobicContact CD1-CG 4.02Å; F697-Q701 VanDerWaalsContact O-CG 3.26Å; F697-Q701 WeakPolarHBondContact O-CG 3.3Å; L698-Q701 PolarHBondContact O-N 3.35Å; Q701-L726 HydrophobicContact CB-CD1 4.15Å; Q701-L726 WeakPolarHBondContact O-CB 3.48Å; Q701-L726 PolarHBondContact O-N 3.28Å
702K89.9Confident89.3Confident66 Ų6654.8 Ų54.829%0.28725%0.254SS..EExtended strand (participates in β ladder)trans-110.4136.4165.6-60.6-177.9177.9-1780108.2L663 E723 L724 E754L663-K702 HydrophobicContact CB-CB 4.5Å; L663-K702 PolarHBondContact N-O 2.91Å; L663-K702 PolarHBondContact O-N 2.9Å; K702-E723 HydrophobicContact CB-CG 4.46Å; K702-E723 WeakPolarHBondContact CD-OE1 3.42Å; K702-E723 IonicContact NZ-OE1 3.23Å; K702-L724 CarbonylContact C-O 3.48Å; K702-L724 WeakPolarHBondContact CA-O 3.48Å; K702-E754 IonicContact NZ-OE2 3.39Å; K702-E754 PolarHBondContact NZ-OE2 2.88Å
703L92Very high88.8Confident1 Ų156.5 Ų56.51%0.00526%0.262CS..EExtended strand (participates in β ladder)trans-90.5116.7169.5178.172.1000109F623 L625 V636 Y661 L662 E723 L724 L726F623-L703 HydrophobicContact CE2-CD2 4.34Å; L625-L703 HydrophobicContact CD1-CD2 3.93Å; L625-L703 HydrophobicContact CD2-CD2 3.52Å; L625-L703 HydrophobicContact CG-CD2 4.35Å; V636-L703 HydrophobicContact CG1-CD2 4.39Å; V636-L703 HydrophobicContact CG2-CD1 4.19Å; V636-L703 HydrophobicContact CG2-CD2 4.26Å; Y661-L703 WeakPolarHBondContact O-CA 3.36Å; L662-L703 HydrophobicContact CD2-CB 4.34Å; L662-L703 HydrophobicContact CD2-CD1 3.83Å; L703-E723 WeakPolarHBondContact O-CA 3.48Å; L703-L724 PolarHBondContact N-O 2.88Å; L703-L724 PolarHBondContact O-N 2.91Å; L703-L726 HydrophobicContact CB-CD1 4.26Å; L703-L726 HydrophobicContact CB-CD2 4.06Å; L703-L726 HydrophobicContact CB-CG 4.24Å
704N92.3Very high88.5Confident1 Ų163 Ų631%0.00529%0.289CS..EExtended strand (participates in β ladder)trans-100.1116.3168.1179.1-77.2000109T660 Y661 L663 E721T660-N704 CarbonylContact C-O 3.5Å; T660-N704 VanDerWaalsContact CA-O 3.25Å; T660-N704 WeakPolarHBondContact CA-O 3.43Å; Y661-N704 PolarHBondContact N-O 3.01Å; Y661-N704 PolarHBondContact O-N 2.85Å; L663-N704 HydrophobicContact CD1-CB 3.84Å; L663-N704 HydrophobicContact CG-CB 4.49Å; N704-E721 PolarHBondContact ND2-OE2 3.37Å; N704-E721 VanDerWaalsContact ND2-OE2 3.13Å
705L94.9Very high88.1Confident1 Ų168.9 Ų68.91%0.00531%0.308CS..EExtended strand (participates in β ladder)trans-109.1115.2174.8-176.6156.7000108.5V621 F623 V636 V638 V658 T660 V707 E721 V722V621-L705 HydrophobicContact CB-CD2 4.48Å; V621-L705 HydrophobicContact CG1-CD2 3.92Å; V621-L705 HydrophobicContact CG2-CD2 4.05Å; F623-L705 HydrophobicContact CB-CD1 4.4Å; F623-L705 HydrophobicContact CD1-CD1 3.74Å; F623-L705 HydrophobicContact CD2-CD1 4.16Å; F623-L705 HydrophobicContact CE1-CD1 3.9Å; F623-L705 HydrophobicContact CE2-CD1 4.32Å; F623-L705 HydrophobicContact CG-CD1 3.86Å; F623-L705 HydrophobicContact CZ-CD1 4.19Å; V636-L705 HydrophobicContact CG1-CD1 4.48Å; V638-L705 HydrophobicContact CG2-CD1 4.33Å; V658-L705 HydrophobicContact CG1-CD1 4.03Å; V658-L705 HydrophobicContact CG1-CD2 3.5Å; V658-L705 HydrophobicContact CG1-CG 3.56Å; T660-L705 HydrophobicContact CG2-CB 4Å; T660-L705 HydrophobicContact CG2-CD1 3.91Å; T660-L705 HydrophobicContact CG2-CG 3.74Å; L705-V707 HydrophobicContact CD2-CG2 4.4Å; L705-E721 CarbonylContact O-C 3.58Å; L705-E721 VanDerWaalsContact O-CA 3.25Å; L705-E721 WeakPolarHBondContact O-CA 3.46Å; L705-V722 PolarHBondContact N-O 3.41Å; L705-V722 PolarHBondContact O-N 3.1Å
706S94.1Very high88.1Confident1 Ų167.2 Ų67.21%0.00731%0.306CS..EExtended strand (participates in β ladder)trans-120.5141.5-177.258.70000111.9V658 K659 W708 G720V658-S706 CarbonylContact C-O 3.47Å; V658-S706 WeakPolarHBondContact CA-O 3.44Å; K659-S706 WeakPolarHBondContact CB-O 2.79Å; K659-S706 PolarHBondContact N-O 3.09Å; K659-S706 PolarHBondContact O-N 2.95Å; K659-S706 PolarHBondContact O-OG 3.49Å; S706-W708 PolarHBondContact OG-NE1 3.42Å; S706-G720 WeakPolarHBondContact CA-O 3.38Å
707V95.7Very high88.2Confident0 Ų062.7 Ų62.70%029%0.289CS..EExtended strand (participates in β ladder)trans-106.7135.7179.5-168.90000109L644 P656 V658 L705 L719 G720 L744L644-V707 HydrophobicContact CD1-CG1 3.96Å; L644-V707 HydrophobicContact CD2-CG1 4.13Å; P656-V707 HydrophobicContact CB-CG1 4.35Å; V658-V707 HydrophobicContact CG2-CG2 4.21Å; L705-V707 HydrophobicContact CD2-CG2 4.4Å; V707-L719 HydrophobicContact CB-CB 4.25Å; V707-L719 HydrophobicContact CG1-CB 4.19Å; V707-L719 HydrophobicContact CG1-CD1 4.25Å; V707-L719 WeakPolarHBondContact O-CB 3.42Å; V707-L719 PolarHBondContact O-N 3.49Å; V707-G720 PolarHBondContact N-O 2.98Å; V707-G720 PolarHBondContact O-N 2.87Å; V707-L744 HydrophobicContact CB-CD1 4.4Å; V707-L744 HydrophobicContact CG2-CD1 4.04Å; V707-L744 HydrophobicContact CG2-CD2 3.66Å
708W94.4Very high88.4Confident18 Ų1858.6 Ų58.67%0.06827%0.271CS..EExtended strand (participates in β ladder)trans-139.2142.4-171-6674.2000111.3S606 F612 P656 Y657 K659 S706 N716 S717 F718S606-W708 WeakPolarHBondContact O-CH2 3.16Å; F612-W708 HydrophobicContact CD1-CH2 4.36Å; F612-W708 AromaticContact CE1-CH2 3.93Å; F612-W708 HydrophobicContact CE1-CH2 3.93Å; P656-W708 CarbonylContact C-O 3.49Å; P656-W708 VanDerWaalsContact CA-O 3.22Å; P656-W708 WeakPolarHBondContact CA-O 3.46Å; Y657-W708 HydrophobicContact CD1-CB 4.01Å; Y657-W708 WeakPolarHBondContact CD1-O 3.46Å; Y657-W708 HydrophobicContact CD2-CB 4.48Å; Y657-W708 HydrophobicContact CE1-CB 3.42Å; Y657-W708 VanDerWaalsContact CE1-CB 3.42Å; Y657-W708 HydrophobicContact CE1-CG 4.49Å; Y657-W708 HydrophobicContact CE2-CB 3.97Å; Y657-W708 HydrophobicContact CE2-CG 4.34Å; Y657-W708 AromaticContact CZ-CG 4Å; Y657-W708 PolarHBondContact N-O 2.9Å; Y657-W708 PolarHBondContact O-N 2.79Å; K659-W708 HydrophobicContact CD-CD2 4Å; K659-W708 HydrophobicContact CD-CG 3.84Å; K659-W708 HydrophobicContact CD-CZ2 4.17Å; K659-W708 VanDerWaalsContact NZ-CZ2 3.34Å; S706-W708 PolarHBondContact OG-NE1 3.42Å; W708-N716 HydrophobicContact CE3-CB 4.18Å; W708-S717 CarbonylContact C-O 3.54Å; W708-S717 WeakPolarHBondContact CA-O 3.33Å; W708-F718 HydrophobicContact CD2-CD2 4.32Å; W708-F718 AromaticContact CE2-CD2 3.87Å; W708-F718 HydrophobicContact CE3-CB 4.28Å; W708-F718 HydrophobicContact CH2-CD2 4.35Å; W708-F718 AromaticContact CZ2-CD2 3.93Å; W708-F718 HydrophobicContact CZ2-CD2 3.93Å; W708-F718 HydrophobicContact CZ3-CB 4.24Å
709H92.9Very high88.7Confident16 Ų1658.6 Ų58.67%0.07427%0.271CS..EExtended strand (participates in β ladder)trans-82.5129.8164.617444.4000109.9A647 D655 N716 S717 L719A647-H709 HydrophobicContact CB-CB 3.79Å; A647-H709 WeakPolarHBondContact CB-CD2 3.46Å; A647-H709 VanDerWaalsContact CB-CG 3.48Å; D655-H709 PolarHBondContact N-CE1 3.43Å; D655-H709 PolarHBondContact N-ND1 3.21Å; D655-H709 WeakPolarHBondContact O-CA 3.41Å; H709-N716 CarbonylContact O-C 3.36Å; H709-N716 WeakPolarHBondContact O-CA 3.32Å; H709-N716 WeakPolarHBondContact O-CB 3.41Å; H709-S717 PolarHBondContact N-O 2.66Å; H709-S717 PolarHBondContact O-N 2.95Å; H709-S717 VanDerWaalsContact O-N 3.16Å; H709-L719 HydrophobicContact CB-CD1 4.09Å; H709-L719 HydrophobicContact CB-CD2 4.26Å; H709-L719 HydrophobicContact CB-CG 4.2Å
710R93.3Very high89.1Confident118 Ų11852.3 Ų52.345%0.44524%0.243SC..  trans-81.6114.5166.6179.1177.1174.9-165.20.8110.2D655 Y657 V676 N716D655-R710 HydrophobicContact CB-CB 4.42Å; D655-R710 PolarHBondContact O-N 3.38Å; Y657-R710 HydrophobicContact CD1-CB 4.16Å; Y657-R710 HydrophobicContact CE1-CB 4.1Å; V676-R710 HydrophobicContact CG1-CB 3.88Å; V676-R710 HydrophobicContact CG2-CB 4.31Å; R710-N716 WeakPolarHBondContact CA-OD1 3.29Å
711D87Confident89.6Confident37 Ų3749.4 Ų49.420%0.19822%0.224CC..  trans-96.4139.9167.5-161.9-47.1000109.1F713 K714 N716D711-F713 PolarHBondContact OD1-N 3.47Å; D711-K714 HydrophobicContact CB-CB 4.02Å; D711-K714 VanDerWaalsContact CG-CB 3.43Å; D711-K714 PolarHBondContact OD1-N 3.48Å; D711-K714 VanDerWaalsContact OD2-CB 3.32Å; D711-K714 WeakPolarHBondContact OD2-CB 3.34Å; D711-K714 WeakPolarHBondContact OD2-CD 3.15Å; D711-K714 WeakPolarHBondContact OD2-CG 3.28Å; D711-N716 PolarHBondContact N-OD1 2.94Å; D711-N716 VanDerWaalsContact N-OD1 3.14Å
712T86.2Confident89.9Confident96 Ų9649.6 Ų49.659%0.58923%0.225SC*.SBendtrans-83.7-31.2-178.9-57.30000111.7
713F79.3Confident90.1Very high196 Ų19650.9 Ų50.986%0.8623%0.232SC*.SBendtrans-120-7.3-174.2-58.7-72.7000113.1D711D711-F713 PolarHBondContact OD1-N 3.47Å
714K80.2Confident90Very high163 Ų16351.9 Ų51.971%0.70924%0.238SC*.SBendtrans-121.8-178.3174.7-47.3-178.5-177.81730112D711D711-K714 HydrophobicContact CB-CB 4.02Å; D711-K714 VanDerWaalsContact CG-CB 3.43Å; D711-K714 PolarHBondContact OD1-N 3.48Å; D711-K714 VanDerWaalsContact OD2-CB 3.32Å; D711-K714 WeakPolarHBondContact OD2-CB 3.34Å; D711-K714 WeakPolarHBondContact OD2-CD 3.15Å; D711-K714 WeakPolarHBondContact OD2-CG 3.28Å
715R80.4Confident89.9Confident192 Ų19254.5 Ų54.573%0.72525%0.252SS*.PPolyproline II helixtrans-67.4144167.9-65.7-177-177.8162.17.1109.4D611 S717D611-R715 IonicContact OD2-CZ 3.36Å; D611-R715 IonicContact OD2-NH1 2.84Å; D611-R715 PolarHBondContact OD2-NH1 3.23Å; R715-S717 PolarHBondContact O-N 2.85Å
716N87.3Confident89.6Confident61 Ų6154.5 Ų54.533%0.32625%0.251SS..PPolyproline II helixtrans-59.7127.5173.9-68.8-18.6000110.6Y657 W708 H709 R710 D711Y657-N716 PolarHBondContact OH-ND2 3.02Å; W708-N716 HydrophobicContact CE3-CB 4.18Å; H709-N716 CarbonylContact O-C 3.36Å; H709-N716 WeakPolarHBondContact O-CA 3.32Å; H709-N716 WeakPolarHBondContact O-CB 3.41Å; R710-N716 WeakPolarHBondContact CA-OD1 3.29Å; D711-N716 PolarHBondContact N-OD1 2.94Å; D711-N716 VanDerWaalsContact N-OD1 3.14Å
717S87.3Confident89.3Confident30 Ų3060.8 Ų60.821%0.2128%0.281CS..EExtended strand (participates in β ladder)trans-81.7139.8178.1-48.80000110.9W708 H709 R715W708-S717 CarbonylContact C-O 3.54Å; W708-S717 WeakPolarHBondContact CA-O 3.33Å; H709-S717 PolarHBondContact N-O 2.66Å; H709-S717 PolarHBondContact O-N 2.95Å; H709-S717 VanDerWaalsContact O-N 3.16Å; R715-S717 PolarHBondContact O-N 2.85Å
718F90Very high88.7Confident11 Ų1166.1 Ų66.15%0.04831%0.314CS..EExtended strand (participates in β ladder)trans-78.3133.4173.1176.6-99.3000110F612 V617 W708 G720 E721 K747F612-F718 HydrophobicContact CB-CB 4.13Å; F612-F718 HydrophobicContact CB-CD1 4.43Å; F612-F718 HydrophobicContact CD1-CB 3.65Å; F612-F718 HydrophobicContact CD1-CD1 4.48Å; F612-F718 HydrophobicContact CD1-CD2 4.29Å; F612-F718 AromaticContact CD1-CG 3.92Å; F612-F718 HydrophobicContact CD1-CG 3.92Å; F612-F718 HydrophobicContact CG-CB 4.25Å; F612-F718 HydrophobicContact CG-CG 4.41Å; V617-F718 HydrophobicContact CG2-CD1 4.2Å; V617-F718 HydrophobicContact CG2-CE1 4.02Å; W708-F718 HydrophobicContact CD2-CD2 4.32Å; W708-F718 AromaticContact CE2-CD2 3.87Å; W708-F718 HydrophobicContact CE3-CB 4.28Å; W708-F718 HydrophobicContact CH2-CD2 4.35Å; W708-F718 AromaticContact CZ2-CD2 3.93Å; W708-F718 HydrophobicContact CZ2-CD2 3.93Å; W708-F718 HydrophobicContact CZ3-CB 4.24Å; F718-G720 WeakPolarHBondContact CE2-O 3.13Å; F718-G720 VanDerWaalsContact CZ-CA 3.41Å; F718-E721 HydrophobicContact CE2-CB 3.91Å; F718-E721 HydrophobicContact CE2-CG 4.36Å; F718-E721 HydrophobicContact CZ-CB 3.71Å; F718-E721 HydrophobicContact CZ-CG 3.82Å; F718-K747 HydrophobicContact CD1-CB 4.29Å; F718-K747 HydrophobicContact CE1-CB 3.67Å; F718-K747 HydrophobicContact CE2-CD 4.17Å; F718-K747 HydrophobicContact CZ-CB 3.85Å; F718-K747 HydrophobicContact CZ-CD 4.08Å
719L91.6Very high88.2Confident0 Ų066.8 Ų66.80%032%0.316CS..EExtended strand (participates in β ladder)trans-110.6-10.6-179.1-61.7179.6000113.1V617 L644 A645 A647 P656 V707 H709V617-L719 VanDerWaalsContact CG1-O 3.31Å; V617-L719 WeakPolarHBondContact CG1-O 3.42Å; L644-L719 HydrophobicContact CD1-CD1 4.39Å; A645-L719 HydrophobicContact CB-CD2 4.22Å; A647-L719 HydrophobicContact CB-CD2 4.46Å; P656-L719 HydrophobicContact CB-CD1 4.13Å; V707-L719 HydrophobicContact CB-CB 4.25Å; V707-L719 HydrophobicContact CG1-CB 4.19Å; V707-L719 HydrophobicContact CG1-CD1 4.25Å; V707-L719 WeakPolarHBondContact O-CB 3.42Å; V707-L719 PolarHBondContact O-N 3.49Å; H709-L719 HydrophobicContact CB-CD1 4.09Å; H709-L719 HydrophobicContact CB-CD2 4.26Å; H709-L719 HydrophobicContact CB-CG 4.2Å
720G92.3Very high87.8Confident0 Ų069.9 Ų69.90%033%0.333CS..EExtended strand (participates in β ladder)trans142.6163.6178.500000113.1S706 V707 F718 K745S706-G720 WeakPolarHBondContact CA-O 3.38Å; V707-G720 PolarHBondContact N-O 2.98Å; V707-G720 PolarHBondContact O-N 2.87Å; F718-G720 WeakPolarHBondContact CE2-O 3.13Å; F718-G720 VanDerWaalsContact CZ-CA 3.41Å; G720-K745 WeakPolarHBondContact CA-O 3.1Å
721E93.8Very high87.2Confident24 Ų2466 Ų6611%0.11232%0.319CS..EExtended strand (participates in β ladder)trans-139.9163.4175.771.7-167.1168.500113.2N704 L705 F718 K745 K747N704-E721 PolarHBondContact ND2-OE2 3.37Å; N704-E721 VanDerWaalsContact ND2-OE2 3.13Å; L705-E721 CarbonylContact O-C 3.58Å; L705-E721 VanDerWaalsContact O-CA 3.25Å; L705-E721 WeakPolarHBondContact O-CA 3.46Å; F718-E721 HydrophobicContact CE2-CB 3.91Å; F718-E721 HydrophobicContact CE2-CG 4.36Å; F718-E721 HydrophobicContact CZ-CB 3.71Å; F718-E721 HydrophobicContact CZ-CG 3.82Å; E721-K745 PolarHBondContact N-O 3.21Å; E721-K745 PolarHBondContact O-N 3.08Å; E721-K747 WeakPolarHBondContact OE1-CD 3.03Å; E721-K747 IonicContact OE1-NZ 2.75Å; E721-K747 IonicContact OE2-NZ 2.65Å; E721-K747 PolarHBondContact OE2-NZ 2.77Å
722V93.9Very high86.7Confident10 Ų1070.2 Ų70.26%0.06134%0.341CS..EExtended strand (participates in β ladder)trans-130.7129.1170.9-179.30000106.8V621 F623 L705 L724 Y742 L744V621-V722 HydrophobicContact CG1-CG2 3.73Å; F623-V722 HydrophobicContact CE1-CG1 4.31Å; F623-V722 HydrophobicContact CZ-CG1 4.3Å; L705-V722 PolarHBondContact N-O 3.41Å; L705-V722 PolarHBondContact O-N 3.1Å; V722-L724 HydrophobicContact CG1-CD2 4.29Å; V722-L724 HydrophobicContact CG1-CG 4.25Å; V722-Y742 HydrophobicContact CG1-CD1 4.01Å; V722-Y742 HydrophobicContact CG1-CG 4.1Å; V722-L744 HydrophobicContact CG2-CD2 4.07Å
723E92.6Very high86.2Confident92 Ų9267 Ų6743%0.4332%0.323SS..EExtended strand (participates in β ladder)trans-112.2128.9172.6-170.2165.7113.500109.2K702 L703K702-E723 HydrophobicContact CB-CG 4.46Å; K702-E723 WeakPolarHBondContact CD-OE1 3.42Å; K702-E723 IonicContact NZ-OE1 3.23Å; L703-E723 WeakPolarHBondContact O-CA 3.48Å
724L91Very high85.9Confident23 Ų2366.2 Ų66.212%0.1232%0.319CS..EExtended strand (participates in β ladder)trans-122127.5175.7-64.5-179.3000109.2F623 L625 K702 L703 V722 W729 Y742F623-L724 HydrophobicContact CE2-CD1 3.58Å; F623-L724 HydrophobicContact CZ-CD1 3.46Å; F623-L724 VanDerWaalsContact CZ-CD1 3.46Å; F623-L724 HydrophobicContact CZ-CG 4.27Å; L625-L724 HydrophobicContact CD1-CD1 3.91Å; K702-L724 CarbonylContact C-O 3.48Å; K702-L724 WeakPolarHBondContact CA-O 3.48Å; L703-L724 PolarHBondContact N-O 2.88Å; L703-L724 PolarHBondContact O-N 2.91Å; V722-L724 HydrophobicContact CG1-CD2 4.29Å; V722-L724 HydrophobicContact CG1-CG 4.25Å; L724-W729 HydrophobicContact CD1-CE3 4.33Å; L724-W729 HydrophobicContact CD1-CH2 4.27Å; L724-W729 HydrophobicContact CD1-CZ3 3.79Å; L724-W729 HydrophobicContact CD2-CZ3 4.37Å; L724-Y742 HydrophobicContact CD1-CE1 4.38Å; L724-Y742 HydrophobicContact CD2-CD1 4.29Å; L724-Y742 HydrophobicContact CD2-CE1 3.83Å
725D90.1Very high85.4Confident56 Ų5664.4 Ų64.430%0.29931%0.313SS..EExtended strand (participates in β ladder)trans-79123169.9-177.110.2000109.8E727D725-E727 VanDerWaalsContact C-N 3.32Å; D725-E727 WeakPolarHBondContact OD1-CB 3.39Å; D725-E727 PolarHBondContact OD1-N 3.08Å
726L89.2Confident85Confident0 Ų056.2 Ų56.20%028%0.284CS..SBendtrans-86-8.1-177.4-57.8-179.3000112.2L625 L634 L662 L698 Q701 L703 W731L625-L726 HydrophobicContact CD1-CD2 4.02Å; L634-L726 HydrophobicContact CD2-CD1 4.2Å; L662-L726 HydrophobicContact CD2-CD1 3.8Å; L698-L726 HydrophobicContact CD2-CD1 4.01Å; L698-L726 VanDerWaalsContact O-CB 3.25Å; L698-L726 WeakPolarHBondContact O-CB 3.27Å; Q701-L726 HydrophobicContact CB-CD1 4.15Å; Q701-L726 WeakPolarHBondContact O-CB 3.48Å; Q701-L726 PolarHBondContact O-N 3.28Å; L703-L726 HydrophobicContact CB-CD1 4.26Å; L703-L726 HydrophobicContact CB-CD2 4.06Å; L703-L726 HydrophobicContact CB-CG 4.24Å; L726-W731 HydrophobicContact CB-CZ2 4.08Å; L726-W731 HydrophobicContact CD2-CH2 4.15Å; L726-W731 HydrophobicContact CD2-CZ2 4.19Å; L726-W731 PolarHBondContact O-NE1 3.02Å
727E86Confident84.5Confident133 Ų13358.4 Ų58.462%0.62129%0.29SS*.SBendtrans-67-50.1169.7-171.5174.817600111.2K699 D725 W729K699-E727 VanDerWaalsContact O-CB 3.29Å; K699-E727 WeakPolarHBondContact O-CB 3.29Å; D725-E727 VanDerWaalsContact C-N 3.32Å; D725-E727 WeakPolarHBondContact OD1-CB 3.39Å; D725-E727 PolarHBondContact OD1-N 3.08Å; E727-W729 VanDerWaalsContact C-N 3.28Å; E727-W729 PolarHBondContact O-N 3.05Å
728T83.9Confident84.2Confident113 Ų11363 Ų6369%0.69331%0.308SS*.SBendtrans-85.8-0.5-176.956.30000113.1D730T728-D730 PolarHBondContact O-N 3.42Å
729W85Confident84.3Confident31 Ų3165.9 Ų65.912%0.11732%0.324CS..  trans-73.6120.4179.7-170.6-96.4000111.4L625 L724 E727 W731 N736 Y742L625-W729 HydrophobicContact CB-CZ2 4.06Å; L625-W729 HydrophobicContact CD1-CD2 4.24Å; L625-W729 HydrophobicContact CD1-CH2 4.27Å; L625-W729 HydrophobicContact CD1-CZ2 3.96Å; L625-W729 HydrophobicContact CG-CZ2 4.21Å; L724-W729 HydrophobicContact CD1-CE3 4.33Å; L724-W729 HydrophobicContact CD1-CH2 4.27Å; L724-W729 HydrophobicContact CD1-CZ3 3.79Å; L724-W729 HydrophobicContact CD2-CZ3 4.37Å; E727-W729 VanDerWaalsContact C-N 3.28Å; E727-W729 PolarHBondContact O-N 3.05Å; W729-W731 HydrophobicContact CB-CZ2 4.29Å; W729-W731 AromaticContact CD1-CD2 3.65Å; W729-W731 AromaticContact CD1-CE2 3.72Å; W729-W731 AromaticContact CD1-CE3 3.74Å; W729-W731 AromaticContact CD1-CH2 3.99Å; W729-W731 AromaticContact CD1-CZ2 3.91Å; W729-W731 AromaticContact CD1-CZ3 3.91Å; W729-W731 HydrophobicContact CG-CZ2 4.36Å; W729-W731 PolarHBondContact O-N 2.92Å; W729-W731 VanDerWaalsContact O-N 3.09Å; W729-W731 PolarHBondContact O-NE1 3.18Å; W729-N736 HydrophobicContact CH2-CB 4.34Å; W729-N736 HydrophobicContact CZ2-CB 3.53Å; W729-Y742 VanDerWaalsContact CH2-OH 3.22Å; W729-Y742 WeakPolarHBondContact CH2-OH 3.42Å
730D82.8Confident84.3Confident82 Ų8269 Ų6944%0.43934%0.338SS..  trans-75.3100.3174.7-178.7-4.7000110.4T728 D732 S733 N736T728-D730 PolarHBondContact O-N 3.42Å; D730-D732 VanDerWaalsContact C-N 3.31Å; D730-D732 PolarHBondContact OD1-N 2.95Å; D730-S733 VanDerWaalsContact CG-CB 3.45Å; D730-S733 PolarHBondContact OD1-N 2.66Å; D730-S733 WeakPolarHBondContact OD2-CB 3.2Å; D730-N736 WeakPolarHBondContact O-CB 3.36Å; D730-N736 PolarHBondContact O-ND2 3.27Å
731W81.7Confident84.4Confident35 Ų3574.1 Ų74.113%0.13336%0.357CS..SBendtrans-72.7-21.2-179.3-63.496.2000113.8L634 L698 L726 W729L634-W731 HydrophobicContact CD1-CH2 3.63Å; L634-W731 HydrophobicContact CD1-CZ3 3.7Å; L698-W731 HydrophobicContact CB-CZ2 4.14Å; L698-W731 HydrophobicContact CD1-CH2 3.88Å; L698-W731 HydrophobicContact CD1-CZ2 3.93Å; L698-W731 HydrophobicContact CD1-CZ3 4.38Å; L726-W731 HydrophobicContact CB-CZ2 4.08Å; L726-W731 HydrophobicContact CD2-CH2 4.15Å; L726-W731 HydrophobicContact CD2-CZ2 4.19Å; L726-W731 PolarHBondContact O-NE1 3.02Å; W729-W731 HydrophobicContact CB-CZ2 4.29Å; W729-W731 AromaticContact CD1-CD2 3.65Å; W729-W731 AromaticContact CD1-CE2 3.72Å; W729-W731 AromaticContact CD1-CE3 3.74Å; W729-W731 AromaticContact CD1-CH2 3.99Å; W729-W731 AromaticContact CD1-CZ2 3.91Å; W729-W731 AromaticContact CD1-CZ3 3.91Å; W729-W731 HydrophobicContact CG-CZ2 4.36Å; W729-W731 PolarHBondContact O-N 2.92Å; W729-W731 VanDerWaalsContact O-N 3.09Å; W729-W731 PolarHBondContact O-NE1 3.18Å
732D75.3Confident84.5Confident127 Ų12774.7 Ų74.768%0.67936%0.359SS*.SBendtrans-98.7-17.9-172.3-59.6-38.1000111.6R695 D730 K734R695-D732 IonicContact NH2-OD1 3.51Å; R695-D732 PolarHBondContact NH2-OD1 2.65Å; D730-D732 VanDerWaalsContact C-N 3.31Å; D730-D732 PolarHBondContact OD1-N 2.95Å; D732-K734 PolarHBondContact O-N 3.13Å
733S76.4Confident84.6Confident29 Ų2978.2 Ų78.220%0.20338%0.382CS..  trans-65.4119.6172.6174.90000112.6D730 Q735 N736D730-S733 VanDerWaalsContact CG-CB 3.45Å; D730-S733 PolarHBondContact OD1-N 2.66Å; D730-S733 WeakPolarHBondContact OD2-CB 3.2Å; S733-Q735 PolarHBondContact O-N 3.07Å; S733-Q735 PolarHBondContact OG-N 3.43Å; S733-N736 PolarHBondContact O-N 2.98Å
734K73.3Confident84.7Confident178 Ų17874.6 Ų74.677%0.77437%0.365SS*.THydrogen-bonded Turntrans-54.4-26.1172.9-68.7-175.5179.7179.50112.9D732D732-K734 PolarHBondContact O-N 3.13Å
735Q70.3Confident84.7Confident125 Ų12580.5 Ų80.558%0.58439%0.39SS*.THydrogen-bonded Turntrans-71.6-32.7179.4-61.8-175.60.600112.3S733 K737 Q738 K740S733-Q735 PolarHBondContact O-N 3.07Å; S733-Q735 PolarHBondContact OG-N 3.43Å; Q735-K737 VanDerWaalsContact C-N 3.29Å; Q735-K737 PolarHBondContact O-N 3.47Å; Q735-Q738 WeakPolarHBondContact O-CB 3.42Å; Q735-Q738 PolarHBondContact O-N 3.05Å; Q735-Q738 VanDerWaalsContact O-N 3.12Å; Q735-K740 WeakPolarHBondContact O-CE 3.27Å
736N70.8Confident84.5Confident21 Ų2184.3 Ų84.311%0.11240%0.4CS..THydrogen-bonded Turntrans-76.3-18.7-177.9-76.7-11.9000113.4W729 D730 S733 Q738 K740W729-N736 HydrophobicContact CH2-CB 4.34Å; W729-N736 HydrophobicContact CZ2-CB 3.53Å; D730-N736 WeakPolarHBondContact O-CB 3.36Å; D730-N736 PolarHBondContact O-ND2 3.27Å; S733-N736 PolarHBondContact O-N 2.98Å; N736-Q738 VanDerWaalsContact C-N 3.3Å; N736-K740 PolarHBondContact OD1-NZ 3.21Å
737K76.4Confident83.5Confident106 Ų10686 Ų8646%0.46141%0.407SS..THydrogen-bonded Turntrans-77.7-14.5168.3-66.1173.5-178.5-93.60112.8D626 Q735D626-K737 IonicContact OD1-NZ 2.75Å; D626-K737 PolarHBondContact OD1-NZ 3.36Å; Q735-K737 VanDerWaalsContact C-N 3.29Å; Q735-K737 PolarHBondContact O-N 3.47Å
738Q81.9Confident82Confident126 Ų12684.7 Ų84.759%0.58941%0.408SS*.SBendtrans-85.7154.5176.9-64.2179.313.200111.3Q735 N736 K740Q735-Q738 WeakPolarHBondContact O-CB 3.42Å; Q735-Q738 PolarHBondContact O-N 3.05Å; Q735-Q738 VanDerWaalsContact O-N 3.12Å; N736-Q738 VanDerWaalsContact C-N 3.3Å; Q738-K740 PolarHBondContact O-N 3.23Å
739L91.2Very high80.2Confident73 Ų7382.7 Ų82.738%0.38240%0.404SS..  trans-63.8115.6175.9-77.3170.1000111.2Q622 A624 F637 A639Q622-L739 HydrophobicContact CG-CB 4.03Å; Q622-L739 HydrophobicContact CG-CD2 4.27Å; A624-L739 HydrophobicContact CB-CD2 4.15Å; F637-L739 HydrophobicContact CD1-CD2 3.64Å; F637-L739 HydrophobicContact CD1-CG 4.35Å; F637-L739 HydrophobicContact CE1-CD1 4.1Å; F637-L739 HydrophobicContact CE1-CD2 3.77Å; F637-L739 HydrophobicContact CE1-CG 4.24Å; A639-L739 HydrophobicContact CB-CD1 4.16Å; A639-L739 HydrophobicContact CB-CD2 3.6Å
740K91.7Very high78.1Confident64 Ų6486.5 Ų86.528%0.27843%0.432SS..EExtended strand (participates in β ladder)trans-113145.6177.4-73.1-179.1175.5-178.50111.2Q622 F623 Q735 N736 Q738 Y742Q622-K740 VanDerWaalsContact CA-O 3.31Å; Q622-K740 WeakPolarHBondContact CA-O 3.44Å; F623-K740 PolarHBondContact N-O 3.32Å; F623-K740 VanDerWaalsContact N-O 3.11Å; F623-K740 PolarHBondContact O-N 2.91Å; F623-K740 VanDerWaalsContact O-N 3.08Å; Q735-K740 WeakPolarHBondContact O-CE 3.27Å; N736-K740 PolarHBondContact OD1-NZ 3.21Å; Q738-K740 PolarHBondContact O-N 3.23Å; K740-Y742 HydrophobicContact CB-CD2 4.4Å; K740-Y742 HydrophobicContact CB-CE2 3.6Å; K740-Y742 WeakPolarHBondContact O-CD2 3.3Å
741W95.2Very high75.7Confident108 Ų10887.7 Ų87.741%0.40944%0.442SS..EExtended strand (participates in β ladder)trans-87.9130.6173.3-74.5102.1000110.5Q622 Q640 K642Q622-W741 HydrophobicContact CB-CD2 3.76Å; Q622-W741 HydrophobicContact CB-CE3 3.67Å; Q622-W741 HydrophobicContact CB-CG 4.47Å; Q622-W741 HydrophobicContact CB-CH2 3.96Å; Q622-W741 HydrophobicContact CB-CZ2 4.04Å; Q622-W741 HydrophobicContact CB-CZ3 3.77Å; Q622-W741 HydrophobicContact CG-CD2 3.97Å; Q622-W741 HydrophobicContact CG-CE3 4.4Å; Q622-W741 HydrophobicContact CG-CG 4.28Å; Q622-W741 HydrophobicContact CG-CZ2 4.33Å; Q640-W741 HydrophobicContact CG-CH2 3.79Å; Q640-W741 HydrophobicContact CG-CZ2 4.24Å; K642-W741 HydrophobicContact CB-CH2 3.68Å; K642-W741 HydrophobicContact CB-CZ3 3.62Å
742Y95.2Very high73.5Confident37 Ų3791 Ų9115%0.14548%0.477CS..EExtended strand (participates in β ladder)trans-120.3125.1176-65.9-89.6000109.7S620 V621 F623 V722 L724 W729 K740S620-Y742 CarbonylContact C-O 3.47Å; S620-Y742 VanDerWaalsContact CA-O 3.26Å; S620-Y742 WeakPolarHBondContact CA-O 3.29Å; S620-Y742 WeakPolarHBondContact CB-O 3.41Å; V621-Y742 PolarHBondContact N-O 2.55Å; V621-Y742 PolarHBondContact O-N 3.09Å; F623-Y742 AromaticContact CD1-CD2 3.57Å; F623-Y742 HydrophobicContact CD1-CD2 3.57Å; F623-Y742 HydrophobicContact CD1-CE2 4.05Å; F623-Y742 HydrophobicContact CD1-CG 4.43Å; F623-Y742 AromaticContact CE1-CD2 3.11Å; F623-Y742 HydrophobicContact CE1-CD2 3.11Å; F623-Y742 AromaticContact CE1-CE2 3.64Å; F623-Y742 HydrophobicContact CE1-CE2 3.64Å; F623-Y742 AromaticContact CE1-CG 3.64Å; F623-Y742 HydrophobicContact CE1-CG 3.64Å; F623-Y742 HydrophobicContact CE2-CD2 4.46Å; F623-Y742 HydrophobicContact CE2-CE2 4.17Å; F623-Y742 HydrophobicContact CG-CD2 4.43Å; F623-Y742 HydrophobicContact CG-CE2 4.5Å; F623-Y742 AromaticContact CZ-CD2 3.65Å; F623-Y742 HydrophobicContact CZ-CD2 3.65Å; F623-Y742 AromaticContact CZ-CE2 3.71Å; F623-Y742 HydrophobicContact CZ-CE2 3.71Å; F623-Y742 HydrophobicContact CZ-CG 4.12Å; V722-Y742 HydrophobicContact CG1-CD1 4.01Å; V722-Y742 HydrophobicContact CG1-CG 4.1Å; L724-Y742 HydrophobicContact CD1-CE1 4.38Å; L724-Y742 HydrophobicContact CD2-CD1 4.29Å; L724-Y742 HydrophobicContact CD2-CE1 3.83Å; W729-Y742 VanDerWaalsContact CH2-OH 3.22Å; W729-Y742 WeakPolarHBondContact CH2-OH 3.42Å; K740-Y742 HydrophobicContact CB-CD2 4.4Å; K740-Y742 HydrophobicContact CB-CE2 3.6Å; K740-Y742 WeakPolarHBondContact O-CD2 3.3Å
743P96.2Very high71.6Confident84 Ų8491.8 Ų91.855%0.54548%0.481SS..EExtended strand (participates in β ladder)trans-67.7136.2174.728.4-33.2000110.2
744L95.2Very high69.6Low16 Ų1697.2 Ų97.28%0.08450%0.503CS..PPolyproline II helixtrans-75.8132.7177.8-66.8175.6000110.4V617 G619 V621 L644 V707 V722V617-L744 HydrophobicContact CG1-CB 3.92Å; G619-L744 WeakPolarHBondContact O-CB 3.34Å; G619-L744 PolarHBondContact O-N 2.75Å; V621-L744 HydrophobicContact CB-CD2 4.19Å; V621-L744 HydrophobicContact CG1-CD2 3.76Å; L644-L744 HydrophobicContact CD2-CD1 3.29Å; V707-L744 HydrophobicContact CB-CD1 4.4Å; V707-L744 HydrophobicContact CG2-CD1 4.04Å; V707-L744 HydrophobicContact CG2-CD2 3.66Å; V722-L744 HydrophobicContact CG2-CD2 4.07Å
745K91.7Very high68.4Low146 Ų14694.4 Ų94.464%0.63550%0.5SS*.BIsolated β-bridgetrans-103.7149.1178-63.2-178.5-178.2178.40110.9G720 E721G720-K745 WeakPolarHBondContact CA-O 3.1Å; E721-K745 PolarHBondContact N-O 3.21Å; E721-K745 PolarHBondContact O-N 3.08Å
746R84.9Confident67.7Low137 Ų13793.6 Ų93.652%0.51750%0.497SS..PPolyproline II helixtrans-61.5148.4165.2-74.1-173.3-169.1150.75109E616 V617 T748E616-R746 IonicContact OE1-NH2 2.8Å; E616-R746 PolarHBondContact OE1-NH2 2.88Å; V617-R746 HydrophobicContact CB-CG 3.57Å; V617-R746 HydrophobicContact CG1-CG 4.5Å; V617-R746 HydrophobicContact CG2-CB 4.38Å; V617-R746 HydrophobicContact CG2-CG 3.7Å; R746-T748 PolarHBondContact O-N 3.31Å
747K69.3Low67.4Low35 Ų3597.6 Ų97.615%0.15252%0.518CS..  trans-72.698170.1-168.5128.6-173.5153.70108.7V607 F612 F718 E721 A749V607-K747 WeakPolarHBondContact O-CE 3.31Å; V607-K747 PolarHBondContact O-NZ 3.44Å; F612-K747 HydrophobicContact CD1-CD 4.34Å; F612-K747 HydrophobicContact CD2-CB 3.9Å; F612-K747 HydrophobicContact CD2-CD 3.91Å; F612-K747 HydrophobicContact CD2-CG 3.74Å; F612-K747 HydrophobicContact CE1-CD 3.81Å; F612-K747 HydrophobicContact CE2-CB 4.11Å; F612-K747 HydrophobicContact CE2-CD 3.33Å; F612-K747 HydrophobicContact CE2-CG 3.42Å; F612-K747 VanDerWaalsContact CE2-CG 3.42Å; F612-K747 HydrophobicContact CG-CB 4.36Å; F612-K747 HydrophobicContact CG-CD 4.39Å; F612-K747 HydrophobicContact CZ-CD 3.28Å; F612-K747 HydrophobicContact CZ-CG 3.94Å; F718-K747 HydrophobicContact CD1-CB 4.29Å; F718-K747 HydrophobicContact CE1-CB 3.67Å; F718-K747 HydrophobicContact CE2-CD 4.17Å; F718-K747 HydrophobicContact CZ-CB 3.85Å; F718-K747 HydrophobicContact CZ-CD 4.08Å; E721-K747 WeakPolarHBondContact OE1-CD 3.03Å; E721-K747 IonicContact OE1-NZ 2.75Å; E721-K747 IonicContact OE2-NZ 2.65Å; E721-K747 PolarHBondContact OE2-NZ 2.77Å; K747-A749 PolarHBondContact O-N 3.05Å; K747-A749 VanDerWaalsContact O-N 3.16Å
748T53.5Low67.6Low105 Ų10593.4 Ų93.464%0.64450%0.499SS*.  trans-69.3111.3168.2-52.20000106R746 V751R746-T748 PolarHBondContact O-N 3.31Å; T748-V751 HydrophobicContact CG2-CG2 3.95Å
749A46.7Very low68.1Low72 Ų7287.4 Ų87.460%0.59547%0.472SS*.  trans-49.1132.5164.400000106.5K747 V751K747-A749 PolarHBondContact O-N 3.05Å; K747-A749 VanDerWaalsContact O-N 3.16Å; A749-V751 PolarHBondContact O-N 3.08Å
750P40.5Very low68.3Low111 Ų11187.9 Ų87.972%0.72147%0.472SS*.  trans-51108.2-171.817.2-28.9000108.6A752P750-A752 PolarHBondContact O-N 2.96Å
751V32.6Very low68.6Low107 Ų10784.8 Ų84.865%0.64846%0.459SS*.  trans-53.5134161.2174.90000104.1T748 A749 L753T748-V751 HydrophobicContact CG2-CG2 3.95Å; A749-V751 PolarHBondContact O-N 3.08Å; V751-L753 PolarHBondContact O-N 2.89Å
752A35.2Very low68.7Low104 Ų10482.6 Ų82.686%0.8645%0.452SS*.THydrogen-bonded Turntrans-60.348.3-169.800000116P750P750-A752 PolarHBondContact O-N 2.96Å
753L34.8Very low68.8Low144 Ų14480.8 Ų80.875%0.75445%0.445SS*.THydrogen-bonded Turntrans-141.3-13.1-171.9-120.5171.2000115.2V751 T755V751-L753 PolarHBondContact O-N 2.89Å; L753-T755 VanDerWaalsContact C-N 3.34Å; L753-T755 PolarHBondContact O-N 3.44Å
754E36Very low68.9Low142 Ų14276.9 Ų76.966%0.66442%0.419SS*.SBendtrans-86.479.4166.1-152.4-17615.900108.4K702 E756K702-E754 IonicContact NZ-OE2 3.39Å; K702-E754 PolarHBondContact NZ-OE2 2.88Å; E754-E756 PolarHBondContact O-N 3.29Å
755T46.8Very low69.1Low119 Ų11976.1 Ų76.173%0.7342%0.415SS*.  trans-7294.3-165.2-51.80000113.3L753 N757L753-T755 VanDerWaalsContact C-N 3.34Å; L753-T755 PolarHBondContact O-N 3.44Å; T755-N757 VanDerWaalsContact C-N 3.26Å; T755-N757 PolarHBondContact O-N 3.5Å
756E55.3Low69.3Low109 Ų10970.4 Ų70.451%0.50939%0.391SS..  trans-74.569.8174.3-161.7-154.8-20.500111.8E754 R758E754-E756 PolarHBondContact O-N 3.29Å; E756-R758 VanDerWaalsContact O-CG 3.31Å; E756-R758 WeakPolarHBondContact O-CG 3.16Å; E756-R758 PolarHBondContact O-N 3.25Å; E756-R758 IonicContact OE1-CZ 3.6Å; E756-R758 IonicContact OE1-NE 3.06Å; E756-R758 PolarHBondContact OE1-NE 3.42Å; E756-R758 IonicContact OE1-NH2 3.51Å; E756-R758 PolarHBondContact OE1-NH2 3.37Å; E756-R758 IonicContact OE2-CZ 2.72Å; E756-R758 VanDerWaalsContact OE2-CZ 3.31Å; E756-R758 IonicContact OE2-NE 3.65Å; E756-R758 PolarHBondContact OE2-NE 3.35Å; E756-R758 IonicContact OE2-NH2 3Å; E756-R758 PolarHBondContact OE2-NH2 3.38Å; E756-R758 VanDerWaalsContact OE2-NH2 3.08Å
757N64.6Low69.8Low105 Ų10564.7 Ų64.756%0.56137%0.369SS*.  trans-38.9103.7-179.1-161.326.4000112.5T755 G759T755-N757 VanDerWaalsContact C-N 3.26Å; T755-N757 PolarHBondContact O-N 3.5Å; N757-G759 VanDerWaalsContact C-N 3.3Å
758R82.1Confident71Confident17 Ų1764.7 Ų64.76%0.06437%0.372CS..  trans-91.77.9-178.1-66.7-54.9-172.76312.6113.6E756 P794 L866 L913 M915E756-R758 VanDerWaalsContact O-CG 3.31Å; E756-R758 WeakPolarHBondContact O-CG 3.16Å; E756-R758 PolarHBondContact O-N 3.25Å; E756-R758 IonicContact OE1-CZ 3.6Å; E756-R758 IonicContact OE1-NE 3.06Å; E756-R758 PolarHBondContact OE1-NE 3.42Å; E756-R758 IonicContact OE1-NH2 3.51Å; E756-R758 PolarHBondContact OE1-NH2 3.37Å; E756-R758 IonicContact OE2-CZ 2.72Å; E756-R758 VanDerWaalsContact OE2-CZ 3.31Å; E756-R758 IonicContact OE2-NE 3.65Å; E756-R758 PolarHBondContact OE2-NE 3.35Å; E756-R758 IonicContact OE2-NH2 3Å; E756-R758 PolarHBondContact OE2-NH2 3.38Å; E756-R758 VanDerWaalsContact OE2-NH2 3.08Å; R758-P794 WeakPolarHBondContact O-CD 2.86Å; R758-L866 WeakPolarHBondContact CD-O 3.25Å; R758-L866 PolarHBondContact NH1-O 3.16Å; R758-L913 HydrophobicContact CB-CB 3.78Å; R758-L913 WeakPolarHBondContact CB-O 3.13Å; R758-L913 WeakPolarHBondContact O-CD1 3.25Å; R758-M915 PolarHBondContact NH1-SD 3.12Å; R758-M915 PolarHBondContact NH2-SD 3.46Å
759G90.6Very high72.8Confident1 Ų161.7 Ų61.71%0.0136%0.355CS..  trans82-179.2-167.700000111.8N757 L791 D792 L913N757-G759 VanDerWaalsContact C-N 3.3Å; G759-L791 CarbonylContact C-O 3.46Å; G759-L791 WeakPolarHBondContact CA-O 3.15Å; G759-D792 WeakPolarHBondContact CA-O 3.32Å; G759-D792 PolarHBondContact N-O 2.9Å; G759-L913 VanDerWaalsContact O-CB 3.32Å; G759-L913 WeakPolarHBondContact O-CB 3.21Å; G759-L913 PolarHBondContact O-N 2.93Å
760E95.9Very high74.4Confident82 Ų8261.7 Ų61.738%0.38334%0.343SS..EExtended strand (participates in β ladder)trans-123.4155.8-175.5-60.7175.1-178.900109.6C790 L791 T910 L911E760-C790 CarbonylContact O-C 3.27Å; E760-C790 WeakPolarHBondContact O-CA 3.32Å; E760-C790 WeakPolarHBondContact O-CB 3.37Å; E760-L791 HydrophobicContact CB-CB 4.42Å; E760-L791 PolarHBondContact N-O 2.99Å; E760-L791 PolarHBondContact O-N 3Å; E760-T910 HydrophobicContact CB-CG2 3.77Å; E760-T910 HydrophobicContact CG-CG2 4.46Å; E760-T910 WeakPolarHBondContact OE2-CG2 3.22Å; E760-L911 CarbonylContact C-O 3.56Å; E760-L911 WeakPolarHBondContact CA-O 3.28Å
761M97.4Very high75.6Confident0 Ų061.6 Ų61.60%034%0.342CS..EExtended strand (participates in β ladder)trans-121.5127171.3178.7-177.3-67.700109.5L763 V787 V805 L853 V855 L869 T910 L911 L913M761-L763 HydrophobicContact CB-CD2 4.49Å; M761-L763 HydrophobicContact CG-CD2 3.91Å; M761-L763 HydrophobicContact SD-CD2 3.91Å; M761-V787 HydrophobicContact SD-CG1 4.27Å; M761-V805 HydrophobicContact CE-CG1 3.88Å; M761-V805 HydrophobicContact CE-CG2 3.81Å; M761-L853 HydrophobicContact SD-CB 4.32Å; M761-L853 HydrophobicContact SD-CD1 4.04Å; M761-V855 HydrophobicContact CE-CG2 3.28Å; M761-L869 HydrophobicContact CB-CD1 4.01Å; M761-L869 HydrophobicContact CG-CD1 4.41Å; M761-L869 HydrophobicContact SD-CD1 4.06Å; M761-T910 WeakPolarHBondContact O-CA 3.48Å; M761-L911 PolarHBondContact N-O 3.33Å; M761-L911 PolarHBondContact O-N 2.86Å; M761-L913 HydrophobicContact CB-CD2 4.03Å; M761-L913 HydrophobicContact CB-CG 4.45Å; M761-L913 HydrophobicContact CE-CD2 4.22Å
762K98.2Very high76.8Confident61 Ų6162.2 Ų62.227%0.26535%0.351SS..EExtended strand (participates in β ladder)trans-96.4124.2171.8-172.9175.8176.11780109.3K788 E789 E908 A909K762-K788 HydrophobicContact CG-CB 4.46Å; K762-K788 HydrophobicContact CG-CD 4.32Å; K762-K788 WeakPolarHBondContact O-CB 3.3Å; K762-K788 PolarHBondContact O-N 3.03Å; K762-E789 HydrophobicContact CB-CG 3.93Å; K762-E789 HydrophobicContact CD-CG 4.25Å; K762-E789 WeakPolarHBondContact CD-OE1 3.38Å; K762-E789 PolarHBondContact N-O 3.37Å; K762-E789 IonicContact NZ-OE1 2.86Å; K762-E789 PolarHBondContact O-N 3.03Å; K762-E908 WeakPolarHBondContact CE-OE1 3.31Å; K762-E908 IonicContact NZ-OE1 2.93Å; K762-A909 WeakPolarHBondContact CA-O 3.41Å
763L98.3Very high77.6Confident0 Ų062.8 Ų62.80%035%0.346CS..EExtended strand (participates in β ladder)trans-147.4163.5-177.867.9119.2000111.5M761 L765 W786 L853 L869 I871 L895 E908 A909 L911M761-L763 HydrophobicContact CB-CD2 4.49Å; M761-L763 HydrophobicContact CG-CD2 3.91Å; M761-L763 HydrophobicContact SD-CD2 3.91Å; L763-L765 HydrophobicContact CD1-CD2 3.64Å; L763-L765 HydrophobicContact CD1-CG 3.88Å; L763-W786 CarbonylContact C-O 3.55Å; L763-W786 WeakPolarHBondContact CA-O 3.49Å; L763-W786 WeakPolarHBondContact CB-O 3.18Å; L763-L853 HydrophobicContact CD1-CD1 4.24Å; L763-L853 HydrophobicContact CD2-CD1 4.17Å; L763-L869 HydrophobicContact CD2-CD1 3.59Å; L763-I871 HydrophobicContact CD1-CD1 3.71Å; L763-I871 HydrophobicContact CD2-CD1 4.06Å; L763-L895 HydrophobicContact CD1-CD2 3.98Å; L763-L895 HydrophobicContact CG-CD2 4.45Å; L763-E908 WeakPolarHBondContact O-CA 3.15Å; L763-A909 PolarHBondContact N-O 3.37Å; L763-A909 PolarHBondContact O-N 2.64Å; L763-A909 VanDerWaalsContact O-O 3.14Å; L763-L911 HydrophobicContact CD2-CD1 4.38Å
764A98.1Very high78.7Confident1 Ų158.1 Ų58.11%0.00833%0.333CS..EExtended strand (participates in β ladder)trans-129.1144.7170.600000110.9W786 W906 V907 E908A764-W786 HydrophobicContact CB-CB 4.35Å; A764-W786 HydrophobicContact CB-CE3 4.1Å; A764-W786 PolarHBondContact N-O 3.23Å; A764-W786 PolarHBondContact O-N 3.09Å; A764-W906 HydrophobicContact CB-CE3 3.65Å; A764-W906 HydrophobicContact CB-CZ3 4.24Å; A764-W906 WeakPolarHBondContact O-CZ3 3.42Å; A764-V907 CarbonylContact C-O 3.51Å; A764-V907 WeakPolarHBondContact CA-O 3.07Å; A764-E908 HydrophobicContact CB-CB 4.09Å
765L97.9Very high79.5Confident0 Ų062 Ų620%035%0.347CS..EExtended strand (participates in β ladder)trans-118.3148.7176.8-55.9-177.4000110.1L763 H784 I785 I871 L895 W896 M899 W906 V907L763-L765 HydrophobicContact CD1-CD2 3.64Å; L763-L765 HydrophobicContact CD1-CG 3.88Å; L765-H784 WeakPolarHBondContact CA-O 3.36Å; L765-I785 HydrophobicContact CD2-CB 4.12Å; L765-I785 HydrophobicContact CD2-CG1 3.83Å; L765-I785 HydrophobicContact CD2-CG2 3.88Å; L765-I871 HydrophobicContact CD1-CG2 3.89Å; L765-L895 HydrophobicContact CD1-CD2 3.97Å; L765-L895 HydrophobicContact CD1-CG 3.96Å; L765-L895 HydrophobicContact CG-CD2 4.26Å; L765-L895 HydrophobicContact CG-CG 4.43Å; L765-W896 HydrophobicContact CD1-CE3 3.98Å; L765-W896 HydrophobicContact CD1-CZ3 4.31Å; L765-M899 HydrophobicContact CB-CB 4.26Å; L765-M899 HydrophobicContact CB-CG 3.94Å; L765-M899 HydrophobicContact CB-SD 3.64Å; L765-M899 HydrophobicContact CD1-SD 4.24Å; L765-W906 WeakPolarHBondContact O-CA 3.35Å; L765-V907 HydrophobicContact CB-CG2 4.04Å; L765-V907 PolarHBondContact N-O 2.93Å; L765-V907 VanDerWaalsContact O-CG2 3.29Å; L765-V907 WeakPolarHBondContact O-CG2 3.26Å; L765-V907 PolarHBondContact O-N 2.79Å
766Q97.1Very high79.9Confident26 Ų2664.8 Ų64.812%0.12135%0.349CS..EExtended strand (participates in β ladder)trans-145.9130.9172.1178.4-172.84000108.6V768 H784 N904 W906Q766-V768 HydrophobicContact CG-CG2 3.94Å; Q766-H784 HydrophobicContact CB-CB 4.21Å; Q766-H784 PolarHBondContact N-O 2.78Å; Q766-H784 PolarHBondContact O-N 2.75Å; Q766-N904 VanDerWaalsContact NE2-C 3.3Å; Q766-N904 PolarHBondContact NE2-O 2.75Å; Q766-W906 HydrophobicContact CB-CD2 3.77Å; Q766-W906 HydrophobicContact CB-CE3 3.74Å; Q766-W906 HydrophobicContact CB-CG 4.29Å; Q766-W906 HydrophobicContact CB-CH2 4.33Å; Q766-W906 HydrophobicContact CB-CZ2 4.33Å; Q766-W906 HydrophobicContact CB-CZ3 4.03Å; Q766-W906 VanDerWaalsContact OE1-CE2 3.28Å
767Y95.6Very high79.9Confident17 Ų1766.3 Ų66.37%0.06736%0.36CS..EExtended strand (participates in β ladder)trans-99.2125.2167.1176.4-120.8000108.8P769 E782 V783 F841 L846 P903 N904Y767-P769 HydrophobicContact CD1-CG 3.97Å; Y767-P769 HydrophobicContact CE1-CB 4.16Å; Y767-P769 HydrophobicContact CE1-CG 3.66Å; Y767-P769 WeakPolarHBondContact O-CD 3.44Å; Y767-E782 WeakPolarHBondContact CA-O 3.31Å; Y767-E782 VanDerWaalsContact CD2-O 3.31Å; Y767-E782 WeakPolarHBondContact CD2-O 3.14Å; Y767-V783 HydrophobicContact CD2-CG2 3.93Å; Y767-F841 HydrophobicContact CE2-CB 4.3Å; Y767-L846 HydrophobicContact CD1-CD1 3.78Å; Y767-L846 HydrophobicContact CD2-CD1 4Å; Y767-L846 HydrophobicContact CD2-CD2 4.03Å; Y767-L846 HydrophobicContact CE1-CD1 3.62Å; Y767-L846 HydrophobicContact CE2-CD1 3.86Å; Y767-L846 HydrophobicContact CE2-CD2 4.17Å; Y767-L846 HydrophobicContact CE2-CG 4.37Å; Y767-L846 HydrophobicContact CG-CD1 3.97Å; Y767-P903 HydrophobicContact CD1-CB 4.47Å; Y767-N904 PolarHBondContact O-N 2.88Å
768V94.5Very high79.5Confident35 Ų3564.5 Ų64.521%0.21235%0.354CS..EExtended strand (participates in β ladder)trans-110.899.8176.9-1790000107.3Q766 G781 E782Q766-V768 HydrophobicContact CG-CG2 3.94Å; V768-G781 CarbonylContact O-C 3.45Å; V768-G781 WeakPolarHBondContact O-CA 3.4Å; V768-E782 HydrophobicContact CB-CB 4.47Å; V768-E782 PolarHBondContact N-O 3.02Å; V768-E782 PolarHBondContact O-N 2.65Å
769P90.4Very high79Confident43 Ų4367.7 Ų67.728%0.27938%0.375SS..PPolyproline II helixtrans-61.4146.9170.3-14.726.9000110.1Y767 P903Y767-P769 HydrophobicContact CD1-CG 3.97Å; Y767-P769 HydrophobicContact CE1-CB 4.16Å; Y767-P769 HydrophobicContact CE1-CG 3.66Å; Y767-P769 WeakPolarHBondContact O-CD 3.44Å; P769-P903 HydrophobicContact CG-CB 3.66Å
770E79.6Confident78.8Confident72 Ų7269.3 Ų69.334%0.33639%0.385SS..PPolyproline II helixtrans-61.4130177.1-170.3177.7174.200111.1S772 P778 T779 T780E770-S772 PolarHBondContact O-N 3.49Å; E770-P778 VanDerWaalsContact OE1-CD 3.32Å; E770-P778 WeakPolarHBondContact OE1-CD 3.27Å; E770-P778 VanDerWaalsContact OE1-CG 3.3Å; E770-P778 WeakPolarHBondContact OE1-CG 3.47Å; E770-P778 WeakPolarHBondContact OE2-CB 3.05Å; E770-T779 PolarHBondContact OE2-N 3.08Å; E770-T780 PolarHBondContact OE2-N 3.06Å
771P66.8Low78.6Confident108 Ų10865.6 Ų65.670%0.70137%0.369SS*.PPolyproline II helixtrans-71.1123.8171.227.2-29.9000108.7P773P771-P773 WeakPolarHBondContact O-CD 3.21Å
772S57.7Low78.4Confident120 Ų12069.4 Ų69.484%0.83939%0.387SS*.PPolyproline II helixtrans-83.2119179.749.10000112.4E770E770-S772 PolarHBondContact O-N 3.49Å
773P52.7Low78.3Confident117 Ų11766.5 Ų66.576%0.7637%0.374SS*.  trans-102.2-15.6165.338.7-37.4000113.2P771P771-P773 WeakPolarHBondContact O-CD 3.21Å
774G57.3Low78.2Confident46 Ų4668.1 Ų68.147%0.47438%0.381SS..SBendtrans79.9166.8-171.900000115K776G774-K776 PolarHBondContact O-N 3.35Å
775K52.3Low78.2Confident224 Ų22468 Ų6897%0.97438%0.381SS*.SBendtrans49.716.3-176.7-58.9-171.4-175.5-179.60116.5
776K56.7Low78.2Confident177 Ų17771.7 Ų71.777%0.7740%0.395SS*.SBendtrans-135.9161.7133.6-108.3174.7-179.6176.70108G774G774-K776 PolarHBondContact O-N 3.35Å
777L53.9Low78.3Confident140 Ų14070.5 Ų70.573%0.73339%0.389SS*.  trans-152.275.9-176.9-172.570.7000110.8T779L777-T779 WeakPolarHBondContact CG-OG1 3.31Å
778P55.7Low78.4Confident68 Ų6870.9 Ų70.944%0.44239%0.391SS..  trans-61.1148.5131.83.916000108E770E770-P778 VanDerWaalsContact OE1-CD 3.32Å; E770-P778 WeakPolarHBondContact OE1-CD 3.27Å; E770-P778 VanDerWaalsContact OE1-CG 3.3Å; E770-P778 WeakPolarHBondContact OE1-CG 3.47Å; E770-P778 WeakPolarHBondContact OE2-CB 3.05Å
779T73.3Confident78.5Confident83 Ų8371.6 Ų71.651%0.50939%0.392SS..  trans-122.531-179.8-45.40000109E770 L777E770-T779 PolarHBondContact OE2-N 3.08Å; L777-T779 WeakPolarHBondContact CG-OG1 3.31Å
780T85.6Confident78.8Confident36 Ų3669.5 Ų69.522%0.22138%0.379CS..  trans-129124.2-162.354.50000110.5E770 F841 R842E770-T780 PolarHBondContact OE2-N 3.06Å; T780-F841 CarbonylContact C-O 3.58Å; T780-F841 VanDerWaalsContact CA-O 3.3Å; T780-F841 WeakPolarHBondContact CA-O 3.32Å; T780-R842 HydrophobicContact CG2-CG 3.85Å
781G91.5Very high79.6Confident3 Ų368.5 Ų68.53%0.03138%0.375CS..EExtended strand (participates in β ladder)trans-84.3-176.9173.200000113.7V768 G840 F841V768-G781 CarbonylContact O-C 3.45Å; V768-G781 WeakPolarHBondContact O-CA 3.4Å; G781-G840 PolarHBondContact O-N 2.75Å; G781-F841 PolarHBondContact N-O 3.2Å; G781-F841 PolarHBondContact O-N 3.03Å; G781-F841 VanDerWaalsContact O-N 3.12Å
782E94.2Very high80.8Confident81 Ų8168.2 Ų68.238%0.37937%0.368SS..EExtended strand (participates in β ladder)trans-117.1140.7179.6-59.4178.7173.400111Y767 V768 H784 V837 Y838Y767-E782 WeakPolarHBondContact CA-O 3.31Å; Y767-E782 VanDerWaalsContact CD2-O 3.31Å; Y767-E782 WeakPolarHBondContact CD2-O 3.14Å; V768-E782 HydrophobicContact CB-CB 4.47Å; V768-E782 PolarHBondContact N-O 3.02Å; V768-E782 PolarHBondContact O-N 2.65Å; E782-H784 IonicContact OE2-CD2 2.82Å; E782-H784 IonicContact OE2-CE1 2.85Å; E782-H784 IonicContact OE2-NE2 3.16Å; E782-H784 PolarHBondContact OE2-NE2 2.83Å; E782-V837 HydrophobicContact CB-CG1 4.38Å; E782-Y838 CarbonylContact C-O 3.55Å; E782-Y838 WeakPolarHBondContact CA-O 3.21Å
783V95.3Very high82.4Confident0 Ų062.7 Ų62.70%033%0.329CS..EExtended strand (participates in β ladder)trans-107.6118.2169.51770000108.7Y767 I785 Y838 F841 L846 M899Y767-V783 HydrophobicContact CD2-CG2 3.93Å; V783-I785 HydrophobicContact CG1-CD1 4.45Å; V783-I785 HydrophobicContact CG1-CG1 4.12Å; V783-Y838 PolarHBondContact N-O 3.04Å; V783-Y838 PolarHBondContact O-N 3.06Å; V783-F841 HydrophobicContact CB-CD2 4.07Å; V783-F841 HydrophobicContact CB-CE2 3.76Å; V783-F841 HydrophobicContact CB-CZ 4.1Å; V783-F841 HydrophobicContact CG2-CB 4.41Å; V783-F841 HydrophobicContact CG2-CD1 4Å; V783-F841 HydrophobicContact CG2-CD2 3.61Å; V783-F841 HydrophobicContact CG2-CE1 4.08Å; V783-F841 HydrophobicContact CG2-CE2 3.69Å; V783-F841 HydrophobicContact CG2-CG 3.75Å; V783-F841 HydrophobicContact CG2-CZ 3.91Å; V783-L846 HydrophobicContact CG2-CD2 3.78Å; V783-M899 HydrophobicContact CG1-SD 4.15Å
784H97.1Very high83.9Confident33 Ų3358.2 Ų58.215%0.15330%0.3CS..EExtended strand (participates in β ladder)trans-101.5128.2179.4-69.6-128.4000109.4L765 Q766 E782 W906L765-H784 WeakPolarHBondContact CA-O 3.36Å; Q766-H784 HydrophobicContact CB-CB 4.21Å; Q766-H784 PolarHBondContact N-O 2.78Å; Q766-H784 PolarHBondContact O-N 2.75Å; E782-H784 IonicContact OE2-CD2 2.82Å; E782-H784 IonicContact OE2-CE1 2.85Å; E782-H784 IonicContact OE2-NE2 3.16Å; E782-H784 PolarHBondContact OE2-NE2 2.83Å; H784-W906 HydrophobicContact CB-CH2 3.65Å; H784-W906 HydrophobicContact CB-CZ2 4.23Å; H784-W906 HydrophobicContact CB-CZ3 4.21Å
785I97.7Very high85Confident0 Ų060.3 Ų60.30%030%0.3CS..EExtended strand (participates in β ladder)trans-124106.4-175.3-57.6162.1000108.3L765 V783 V787 I809 T835 M836 Y838 V851 L853L765-I785 HydrophobicContact CD2-CB 4.12Å; L765-I785 HydrophobicContact CD2-CG1 3.83Å; L765-I785 HydrophobicContact CD2-CG2 3.88Å; V783-I785 HydrophobicContact CG1-CD1 4.45Å; V783-I785 HydrophobicContact CG1-CG1 4.12Å; I785-V787 HydrophobicContact CG2-CG2 4.37Å; I785-I809 HydrophobicContact CD1-CD1 3.94Å; I785-T835 CarbonylContact O-C 3.5Å; I785-T835 WeakPolarHBondContact O-CA 3.29Å; I785-M836 HydrophobicContact CB-CB 4.49Å; I785-M836 PolarHBondContact N-O 2.88Å; I785-M836 PolarHBondContact O-N 3.25Å; I785-Y838 HydrophobicContact CD1-CD2 3.75Å; I785-Y838 HydrophobicContact CD1-CE2 3.74Å; I785-V851 HydrophobicContact CD1-CB 4.47Å; I785-V851 HydrophobicContact CD1-CG1 3.67Å; I785-V851 HydrophobicContact CD1-CG2 3.88Å; I785-V851 HydrophobicContact CG1-CG1 4.5Å; I785-L853 HydrophobicContact CG2-CD1 4.32Å; I785-L853 HydrophobicContact CG2-CD2 4.3Å
786W98.1Very high85.8Confident77 Ų7753 Ų5329%0.29227%0.271SS..EExtended strand (participates in β ladder)trans-99.7103.5179.5-17820.2000110.9L763 A764 K788 W906L763-W786 CarbonylContact C-O 3.55Å; L763-W786 WeakPolarHBondContact CA-O 3.49Å; L763-W786 WeakPolarHBondContact CB-O 3.18Å; A764-W786 HydrophobicContact CB-CB 4.35Å; A764-W786 HydrophobicContact CB-CE3 4.1Å; A764-W786 PolarHBondContact N-O 3.23Å; A764-W786 PolarHBondContact O-N 3.09Å; W786-K788 HydrophobicContact CD2-CD 4.49Å; W786-K788 HydrophobicContact CD2-CG 4.05Å; W786-K788 VanDerWaalsContact CE3-CE 3.45Å; W786-K788 HydrophobicContact CG-CG 4.3Å; W786-K788 HydrophobicContact CH2-CD 4.48Å; W786-K788 HydrophobicContact CZ2-CD 4.38Å; W786-K788 HydrophobicContact CZ2-CG 4.28Å; W786-K788 VanDerWaalsContact CZ3-CE 3.43Å; W786-K788 PolarHBondContact O-N 2.91Å; W786-W906 HydrophobicContact CB-CE3 4.36Å; W786-W906 HydrophobicContact CB-CH2 3.84Å; W786-W906 HydrophobicContact CB-CZ3 3.54Å
787V98.1Very high86.2Confident0 Ų048.6 Ų48.60%025%0.25CC..EExtended strand (participates in β ladder)trans-83.6108.9174.8-176.70000108.7M761 I785 V805 T821 F832 N833 H834 L853M761-V787 HydrophobicContact SD-CG1 4.27Å; I785-V787 HydrophobicContact CG2-CG2 4.37Å; V787-V805 HydrophobicContact CG1-CB 4.38Å; V787-V805 HydrophobicContact CG1-CG1 4.46Å; V787-V805 HydrophobicContact CG1-CG2 4.03Å; V787-V805 HydrophobicContact CG2-CG1 4.48Å; V787-T821 HydrophobicContact CB-CG2 4.48Å; V787-F832 HydrophobicContact CG1-CB 4.24Å; V787-F832 HydrophobicContact CG1-CD2 3.93Å; V787-F832 HydrophobicContact CG1-CG 4.35Å; V787-N833 WeakPolarHBondContact O-CA 3.45Å; V787-N833 PolarHBondContact O-N 2.86Å; V787-N833 VanDerWaalsContact O-N 3.16Å; V787-H834 PolarHBondContact N-O 2.86Å; V787-H834 PolarHBondContact O-N 2.7Å; V787-L853 HydrophobicContact CG2-CD2 4.08Å
788K97.8Very high86.6Confident26 Ų2644.5 Ų44.511%0.11324%0.241CC..EExtended strand (participates in β ladder)trans-85.3-66.7-176-58.1-169.4-179.2-167.50111.3K762 W786 F832 N833 E908K762-K788 HydrophobicContact CG-CB 4.46Å; K762-K788 HydrophobicContact CG-CD 4.32Å; K762-K788 WeakPolarHBondContact O-CB 3.3Å; K762-K788 PolarHBondContact O-N 3.03Å; W786-K788 HydrophobicContact CD2-CD 4.49Å; W786-K788 HydrophobicContact CD2-CG 4.05Å; W786-K788 VanDerWaalsContact CE3-CE 3.45Å; W786-K788 HydrophobicContact CG-CG 4.3Å; W786-K788 HydrophobicContact CH2-CD 4.48Å; W786-K788 HydrophobicContact CZ2-CD 4.38Å; W786-K788 HydrophobicContact CZ2-CG 4.28Å; W786-K788 VanDerWaalsContact CZ3-CE 3.43Å; W786-K788 PolarHBondContact O-N 2.91Å; K788-F832 PolarHBondContact O-N 2.85Å; K788-N833 PolarHBondContact O-N 2.84Å; K788-E908 WeakPolarHBondContact CD-OE1 3.43Å; K788-E908 WeakPolarHBondContact CE-OE1 3.38Å; K788-E908 IonicContact NZ-OE1 3.85Å; K788-E908 PolarHBondContact NZ-OE1 3.06Å; K788-E908 IonicContact NZ-OE2 3.76Å; K788-E908 PolarHBondContact NZ-OE2 3.23Å
789E97.5Very high87.3Confident49 Ų4945.4 Ų45.423%0.22925%0.249CC..EExtended strand (participates in β ladder)trans-154.8161.4-175.562.5-170.6153.800111.7K762 L791 P830 V831K762-E789 HydrophobicContact CB-CG 3.93Å; K762-E789 HydrophobicContact CD-CG 4.25Å; K762-E789 WeakPolarHBondContact CD-OE1 3.38Å; K762-E789 PolarHBondContact N-O 3.37Å; K762-E789 IonicContact NZ-OE1 2.86Å; K762-E789 PolarHBondContact O-N 3.03Å; E789-L791 HydrophobicContact CG-CD2 4.49Å; E789-P830 CarbonylContact C-O 3.39Å; E789-P830 VanDerWaalsContact CA-O 3.25Å; E789-P830 WeakPolarHBondContact CA-O 3.35Å; E789-P830 WeakPolarHBondContact CB-O 3.26Å; E789-V831 HydrophobicContact CB-CB 4.45Å; E789-V831 HydrophobicContact CB-CG2 4.13Å
790C97.1Very high87.3Confident0 Ų046.2 Ų46.20%025%0.247CC..EExtended strand (participates in β ladder)trans-113.1148.8162.2-64.20000109.8E760 L793 N829 P830E760-C790 CarbonylContact O-C 3.27Å; E760-C790 WeakPolarHBondContact O-CA 3.32Å; E760-C790 WeakPolarHBondContact O-CB 3.37Å; C790-L793 HydrophobicContact CB-CD1 3.85Å; C790-L793 HydrophobicContact CB-CD2 3.8Å; C790-L793 HydrophobicContact CB-CG 3.8Å; C790-N829 CarbonylContact O-C 3.43Å; C790-N829 WeakPolarHBondContact O-CA 3.26Å; C790-P830 HydrophobicContact CB-CG 3.94Å; C790-P830 PolarHBondContact N-O 3.12Å; C790-P830 WeakPolarHBondContact O-CD 3.25Å
791L94.9Very high87.4Confident50 Ų5044.5 Ų44.526%0.26224%0.236SC..EExtended strand (participates in β ladder)trans-117.1143.8179.2-57.2172.8000109.7G759 E760 E789 L793 N829G759-L791 CarbonylContact C-O 3.46Å; G759-L791 WeakPolarHBondContact CA-O 3.15Å; E760-L791 HydrophobicContact CB-CB 4.42Å; E760-L791 PolarHBondContact N-O 2.99Å; E760-L791 PolarHBondContact O-N 3Å; E789-L791 HydrophobicContact CG-CD2 4.49Å; L791-L793 VanDerWaalsContact C-N 3.31Å; L791-L793 PolarHBondContact O-N 3.03Å; L791-N829 VanDerWaalsContact CA-OD1 3.25Å; L791-N829 WeakPolarHBondContact CA-OD1 3.16Å
792D91.7Very high87.3Confident103 Ų10346.8 Ų46.855%0.55125%0.248SC*.SBendtrans50.541.9172-65.4-27.9000115.5G759 N829G759-D792 WeakPolarHBondContact CA-O 3.32Å; G759-D792 PolarHBondContact N-O 2.9Å; D792-N829 PolarHBondContact N-OD1 3.31Å
793L91.9Very high87.3Confident4 Ų443 Ų432%0.02123%0.23CC..  trans-63.3138.4177.5-67.2-179.8000112.1C790 L791 L795 L801 S803 T828 P830 V855 L866 L913C790-L793 HydrophobicContact CB-CD1 3.85Å; C790-L793 HydrophobicContact CB-CD2 3.8Å; C790-L793 HydrophobicContact CB-CG 3.8Å; L791-L793 VanDerWaalsContact C-N 3.31Å; L791-L793 PolarHBondContact O-N 3.03Å; L793-L795 PolarHBondContact O-N 3.02Å; L793-L801 HydrophobicContact CB-CD1 3.68Å; L793-S803 WeakPolarHBondContact CD1-OG 3.4Å; L793-T828 VanDerWaalsContact CB-O 3.32Å; L793-T828 WeakPolarHBondContact CB-O 3.36Å; L793-T828 WeakPolarHBondContact CG-O 3.46Å; L793-T828 PolarHBondContact N-O 2.65Å; L793-T828 WeakPolarHBondContact O-CG2 3.18Å; L793-P830 HydrophobicContact CD1-CG 3.51Å; L793-V855 HydrophobicContact CD1-CG1 3.98Å; L793-V855 HydrophobicContact CD2-CG1 4.16Å; L793-L866 HydrophobicContact CB-CD1 4.36Å; L793-L866 HydrophobicContact CD1-CD1 4.03Å; L793-L913 HydrophobicContact CD2-CD1 3.41Å; L793-L913 VanDerWaalsContact CD2-CD1 3.41Å
794P83.3Confident87.3Confident23 Ų2343.6 Ų43.615%0.14923%0.233CC..  trans-70.8129-175.127.5-35.9000111.7R758 L796 L866R758-P794 WeakPolarHBondContact O-CD 2.86Å; P794-L796 VanDerWaalsContact C-N 3.33Å; P794-L796 HydrophobicContact CB-CD2 4.04Å; P794-L796 HydrophobicContact CB-CG 4.32Å; P794-L796 HydrophobicContact CG-CD2 4.45Å; P794-L796 HydrophobicContact CG-CG 4.42Å; P794-L796 PolarHBondContact O-N 3.2Å; P794-L866 HydrophobicContact CG-CD2 4.48Å
795L81.3Confident87.3Confident89 Ų8942 Ų4247%0.46623%0.226SC..  trans-81.277.6177.5-163.565.6000110.8L793 R797 G798 L801L793-L795 PolarHBondContact O-N 3.02Å; L795-R797 PolarHBondContact O-N 3.14Å; L795-G798 WeakPolarHBondContact CD2-O 3.2Å; L795-G798 WeakPolarHBondContact CG-O 3.07Å; L795-L801 HydrophobicContact CD1-CD1 4.38Å; L795-L801 HydrophobicContact CD1-CD2 3.7Å; L795-L801 HydrophobicContact CD1-CG 3.56Å
796L69.2Low87.2Confident70 Ų7045.3 Ų45.337%0.36624%0.24SC..  trans-73.3-25.7-174.4-58.5-179.6000113.7P794 Q864 L866P794-L796 VanDerWaalsContact C-N 3.33Å; P794-L796 HydrophobicContact CB-CD2 4.04Å; P794-L796 HydrophobicContact CB-CG 4.32Å; P794-L796 HydrophobicContact CG-CD2 4.45Å; P794-L796 HydrophobicContact CG-CG 4.42Å; P794-L796 PolarHBondContact O-N 3.2Å; L796-Q864 HydrophobicContact CD1-CG 3.9Å; L796-Q864 VanDerWaalsContact CD1-NE2 3.28Å; L796-L866 HydrophobicContact CD1-CD2 3.74Å; L796-L866 HydrophobicContact CG-CD2 4.09Å
797R64.6Low87.1Confident86 Ų8641.7 Ų41.733%0.32523%0.226SC..SBendtrans-154.7127.8178.9-169.7172.7-78153-1.4112.3A600 L795A600-R797 PolarHBondContact O-NH2 3.44Å; L795-R797 PolarHBondContact O-N 3.14Å
798G63.7Low86.8Confident54 Ų5441.9 Ų41.956%0.55723%0.227SC*.SBendtrans85.8-174.9176.600000113.5L795L795-G798 WeakPolarHBondContact CD2-O 3.2Å; L795-G798 WeakPolarHBondContact CG-O 3.07Å
799S69Low86.6Confident87 Ų8741.3 Ų41.361%0.60823%0.225SC*.SBendtrans-89.8-10.1177.558.70000113.5
800H74.6Confident86.4Confident99 Ų9939.1 Ų39.146%0.45822%0.215SC..  trans-145136.2-169.5-64.5-47.1000110.1K826H800-K826 HydrophobicContact CB-CB 4.38Å; H800-K826 HydrophobicContact CB-CG 4.31Å
801L87.1Confident86Confident1 Ų140.3 Ų40.31%0.00522%0.223CC..  trans-93.9145.2170.2-61.1176.1000110.5L793 L795 G825 K826 T828 D857 L866L793-L801 HydrophobicContact CB-CD1 3.68Å; L795-L801 HydrophobicContact CD1-CD1 4.38Å; L795-L801 HydrophobicContact CD1-CD2 3.7Å; L795-L801 HydrophobicContact CD1-CG 3.56Å; L801-G825 CarbonylContact O-C 3.25Å; L801-K826 PolarHBondContact O-N 2.65Å; L801-T828 HydrophobicContact CD1-CG2 4.22Å; L801-D857 HydrophobicContact CD2-CB 4.11Å; L801-L866 HydrophobicContact CD1-CD1 4.22Å
802N90Very high85.6Confident51 Ų5140.2 Ų40.227%0.27322%0.223SC..EExtended strand (participates in β ladder)trans-115.978.8164.3-51.4-60.8000109.3V824 G825 D857 H858N802-V824 CarbonylContact C-O 3.57Å; N802-V824 WeakPolarHBondContact CA-O 3.45Å; N802-G825 WeakPolarHBondContact OD1-CA 3.39Å; N802-D857 PolarHBondContact N-OD1 2.81Å; N802-H858 HydrophobicContact CB-CB 4.28Å; N802-H858 WeakPolarHBondContact CB-O 3.37Å; N802-H858 PolarHBondContact ND2-O 2.85Å; N802-H858 VanDerWaalsContact ND2-O 3.12Å; N802-H858 WeakPolarHBondContact O-CB 3.46Å; N802-H858 PolarHBondContact O-N 3.5Å
803S93.5Very high84.9Confident0 Ų037.1 Ų37.10%021%0.208CC..EExtended strand (participates in β ladder)trans-80.4143-169.2-57.30000112.2L793 A823 V824 F832 W856L793-S803 WeakPolarHBondContact CD1-OG 3.4Å; S803-A823 CarbonylContact O-C 3.43Å; S803-A823 WeakPolarHBondContact O-CA 3.49Å; S803-V824 PolarHBondContact N-O 2.89Å; S803-V824 PolarHBondContact O-N 3.04Å; S803-F832 WeakPolarHBondContact O-CE1 3.37Å; S803-W856 CarbonylContact C-O 3.46Å; S803-W856 WeakPolarHBondContact CA-O 3.25Å
804F95.9Very high84.3Confident14 Ų1439.2 Ų39.26%0.06122%0.223CC..EExtended strand (participates in β ladder)trans-141.8157167.267.4-87.5000110K806 A823 W856 H858 N863F804-K806 HydrophobicContact CD2-CG 4.26Å; F804-K806 HydrophobicContact CE2-CD 3.87Å; F804-K806 HydrophobicContact CE2-CG 3.85Å; F804-A823 HydrophobicContact CB-CB 4.12Å; F804-W856 HydrophobicContact CD1-CB 4.1Å; F804-W856 WeakPolarHBondContact CD1-O 3.43Å; F804-W856 HydrophobicContact CD2-CB 4.3Å; F804-W856 HydrophobicContact CE1-CB 3.55Å; F804-W856 HydrophobicContact CE2-CB 3.76Å; F804-W856 AromaticContact CE2-CD1 4Å; F804-W856 AromaticContact CE2-CG 3.97Å; F804-W856 HydrophobicContact CE2-CG 3.97Å; F804-W856 HydrophobicContact CG-CB 4.45Å; F804-W856 HydrophobicContact CZ-CB 3.37Å; F804-W856 AromaticContact CZ-CG 3.86Å; F804-W856 HydrophobicContact CZ-CG 3.86Å; F804-W856 PolarHBondContact N-O 2.93Å; F804-W856 PolarHBondContact O-N 2.86Å; F804-H858 HydrophobicContact CD1-CB 3.99Å; F804-H858 HydrophobicContact CE1-CB 3.88Å; F804-N863 HydrophobicContact CZ-CB 4.46Å
805V96.7Very high84.1Confident0 Ų049.3 Ų49.30%026%0.258CS..EExtended strand (participates in β ladder)trans-110.4135.9-179.9-176.20000109.4M761 V787 K820 T821 F832 L853 T854 V855M761-V805 HydrophobicContact CE-CG1 3.88Å; M761-V805 HydrophobicContact CE-CG2 3.81Å; V787-V805 HydrophobicContact CG1-CB 4.38Å; V787-V805 HydrophobicContact CG1-CG1 4.46Å; V787-V805 HydrophobicContact CG1-CG2 4.03Å; V787-V805 HydrophobicContact CG2-CG1 4.48Å; V805-K820 CarbonylContact O-C 3.55Å; V805-K820 WeakPolarHBondContact O-CA 3.35Å; V805-K820 WeakPolarHBondContact O-CB 3.25Å; V805-T821 HydrophobicContact CB-CG2 3.91Å; V805-T821 PolarHBondContact N-OG1 2.85Å; V805-T821 PolarHBondContact O-N 2.7Å; V805-F832 HydrophobicContact CG2-CD2 3.92Å; V805-F832 HydrophobicContact CG2-CE1 4.4Å; V805-F832 HydrophobicContact CG2-CE2 3.51Å; V805-F832 HydrophobicContact CG2-CZ 3.78Å; V805-L853 HydrophobicContact CG1-CB 4.47Å; V805-L853 HydrophobicContact CG1-CD2 3.98Å; V805-T854 CarbonylContact C-O 3.47Å; V805-T854 WeakPolarHBondContact CA-O 3.49Å; V805-V855 HydrophobicContact CG2-CG2 4.23Å
806K95Very high83.9Confident69 Ų6954.9 Ų54.930%0.328%0.278SS..EExtended strand (participates in β ladder)trans-109.2134.7168.9-81165.8171.21620108.8F804 K820 L853 T854F804-K806 HydrophobicContact CD2-CG 4.26Å; F804-K806 HydrophobicContact CE2-CD 3.87Å; F804-K806 HydrophobicContact CE2-CG 3.85Å; K806-K820 HydrophobicContact CG-CB 3.94Å; K806-L853 WeakPolarHBondContact O-CA 3.15Å; K806-T854 PolarHBondContact N-O 2.8Å; K806-T854 PolarHBondContact O-N 3.3Å; K806-T854 PolarHBondContact O-OG1 2.92Å
807C95.4Very high84.5Confident0 Ų052 Ų520%026%0.264CS..EExtended strand (participates in β ladder)trans-112.2146.2174.6-175.60000109.9R818 Q819 M836 Y838 E852 L853C807-R818 WeakPolarHBondContact O-CA 3.43Å; C807-Q819 PolarHBondContact N-O 3.16Å; C807-Q819 PolarHBondContact O-N 2.76Å; C807-M836 HydrophobicContact CB-CE 4.26Å; C807-M836 HydrophobicContact CB-SD 3.19Å; C807-M836 WeakPolarHBondContact CB-SD 3.19Å; C807-Y838 HydrophobicContact CB-CE2 4.48Å; C807-Y838 WeakPolarHBondContact CB-OH 3.47Å; C807-Y838 PolarHBondContact O-OH 3.05Å; C807-Y838 VanDerWaalsContact SG-CE2 3.58Å; C807-Y838 PolarHBondContact SG-OH 3.29Å; C807-Y838 VanDerWaalsContact SG-OH 3.37Å; C807-E852 CarbonylContact C-O 3.54Å; C807-E852 WeakPolarHBondContact CA-O 3.27Å; C807-L853 HydrophobicContact CB-CD2 3.68Å
808T93.3Very high85.8Confident5 Ų552.6 Ų52.63%0.03127%0.266CS..EExtended strand (participates in β ladder)trans-147.7137172.3-58.90000108.6L810 R818 E852T808-L810 HydrophobicContact CG2-CD2 4.09Å; T808-R818 HydrophobicContact CG2-CG 3.94Å; T808-R818 VanDerWaalsContact CG2-NH1 3.25Å; T808-R818 WeakPolarHBondContact OG1-CG 3.39Å; T808-R818 PolarHBondContact OG1-NH1 2.93Å; T808-E852 PolarHBondContact N-O 3.49Å; T808-E852 PolarHBondContact O-N 2.69Å
809I93.4Very high87.3Confident14 Ų1453 Ų537%0.07225%0.253CS..EExtended strand (participates in β ladder)trans-90.9116170-52.6-56.1000108.8I785 D812 Y838 F841 A849 V851I785-I809 HydrophobicContact CD1-CD1 3.94Å; I809-D812 CarbonylContact O-C 3.5Å; I809-D812 VanDerWaalsContact O-C 3.27Å; I809-D812 WeakPolarHBondContact O-CA 3.36Å; I809-D812 PolarHBondContact O-N 2.91Å; I809-Y838 HydrophobicContact CD1-CD1 4.32Å; I809-Y838 HydrophobicContact CD1-CD2 3.75Å; I809-Y838 HydrophobicContact CD1-CE1 4.48Å; I809-Y838 HydrophobicContact CD1-CE2 3.91Å; I809-Y838 HydrophobicContact CD1-CG 3.95Å; I809-Y838 HydrophobicContact CG1-CD1 3.47Å; I809-Y838 VanDerWaalsContact CG1-CD1 3.47Å; I809-Y838 HydrophobicContact CG1-CD2 3.84Å; I809-Y838 HydrophobicContact CG1-CE1 3.7Å; I809-Y838 HydrophobicContact CG1-CE2 4.03Å; I809-Y838 HydrophobicContact CG1-CG 3.53Å; I809-F841 HydrophobicContact CB-CZ 4.4Å; I809-F841 HydrophobicContact CD1-CZ 4.17Å; I809-F841 HydrophobicContact CG1-CZ 4.05Å; I809-F841 HydrophobicContact CG2-CE1 3.85Å; I809-F841 HydrophobicContact CG2-CZ 3.55Å; I809-A849 HydrophobicContact CG2-CB 4.43Å; I809-V851 HydrophobicContact CD1-CB 4.46Å; I809-V851 HydrophobicContact CD1-CG2 3.72Å
810L92.2Very high88.5Confident2 Ų255.3 Ų55.31%0.0125%0.253CS..EExtended strand (participates in β ladder)trans-87.9141173-59.8176.6000109.2T808 T813 A849 C850 E852 W885T808-L810 HydrophobicContact CG2-CD2 4.09Å; L810-T813 HydrophobicContact CD2-CG2 4.09Å; L810-A849 WeakPolarHBondContact O-CA 3.47Å; L810-C850 HydrophobicContact CB-CB 4.41Å; L810-C850 PolarHBondContact N-O 3.09Å; L810-C850 PolarHBondContact O-N 2.92Å; L810-E852 HydrophobicContact CD1-CB 4.09Å; L810-E852 HydrophobicContact CG-CB 4.36Å; L810-W885 HydrophobicContact CB-CD2 4.09Å; L810-W885 HydrophobicContact CB-CE3 3.77Å; L810-W885 HydrophobicContact CB-CH2 4.09Å; L810-W885 HydrophobicContact CB-CZ2 4.45Å; L810-W885 HydrophobicContact CB-CZ3 3.79Å; L810-W885 HydrophobicContact CD1-CB 3.78Å; L810-W885 HydrophobicContact CD1-CD2 3.84Å; L810-W885 HydrophobicContact CD1-CE3 3.87Å; L810-W885 HydrophobicContact CD1-CG 3.82Å; L810-W885 HydrophobicContact CG-CE3 4.48Å
811P90.2Very high89.5Confident26 Ų2651 Ų5117%0.16923%0.233CC..SBendcis-85.8111.734.5-37.6000115.6V468 T813 Y879 W885V468-P811 HydrophobicContact CG1-CG 4.11Å; P811-T813 PolarHBondContact O-N 2.91Å; P811-Y879 HydrophobicContact CG-CD2 4.1Å; P811-Y879 HydrophobicContact CG-CE2 3.7Å; P811-W885 HydrophobicContact CB-CH2 4.11Å; P811-W885 HydrophobicContact CB-CZ2 3.87Å
812D85.9Confident89.9Confident48 Ų4861.5 Ų61.526%0.25727%0.273SS..  trans-71.590-179.4-172.29.7000112.7I809 S814 S817I809-D812 CarbonylContact O-C 3.5Å; I809-D812 VanDerWaalsContact O-C 3.27Å; I809-D812 WeakPolarHBondContact O-CA 3.36Å; I809-D812 PolarHBondContact O-N 2.91Å; D812-S814 PolarHBondContact O-N 3.4Å; D812-S814 WeakPolarHBondContact OD1-CB 3.43Å; D812-S814 PolarHBondContact OD1-N 2.76Å; D812-S817 PolarHBondContact O-OG 2.88Å; D812-S817 VanDerWaalsContact OD2-CB 3.31Å; D812-S817 WeakPolarHBondContact OD2-CB 3.42Å
813T77.3Confident90.1Very high38 Ų3861.9 Ų61.923%0.23328%0.283CS..  trans-79.43176.758.60000114.9L810 P811 R818 L921L810-T813 HydrophobicContact CD2-CG2 4.09Å; P811-T813 PolarHBondContact O-N 2.91Å; T813-R818 PolarHBondContact O-NE 2.85Å; T813-R818 VanDerWaalsContact O-NE 3.13Å; T813-R818 PolarHBondContact O-NH2 2.74Å; T813-L921 HydrophobicContact CG2-CD2 4.24Å
814S79.8Confident90.1Very high48 Ų4863.7 Ų63.734%0.33629%0.294SS..  trans-50.4148.9-178.3178.80000112.3D812 K816 S817 R818D812-S814 PolarHBondContact O-N 3.4Å; D812-S814 WeakPolarHBondContact OD1-CB 3.43Å; D812-S814 PolarHBondContact OD1-N 2.76Å; S814-K816 PolarHBondContact O-N 3.36Å; S814-K816 PolarHBondContact OG-N 3.14Å; S814-K816 VanDerWaalsContact OG-N 3.17Å; S814-S817 PolarHBondContact O-N 2.98Å; S814-S817 PolarHBondContact O-OG 3.17Å; S814-R818 WeakPolarHBondContact O-CG 2.82Å
815R78.8Confident89.8Confident235 Ų23564.9 Ų64.989%0.88731%0.31SS*.SBendtrans-65-24.7172.7-174.7174.7167.3129.4-3.6111.6
816K76.6Confident89.4Confident205 Ų20572.5 Ų72.589%0.89134%0.343SS*.THydrogen-bonded Turntrans-75.1-26.4-179.2-61.7-172.6177.2-171.70112.8S814 R818S814-K816 PolarHBondContact O-N 3.36Å; S814-K816 PolarHBondContact OG-N 3.14Å; S814-K816 VanDerWaalsContact OG-N 3.17Å; K816-R818 VanDerWaalsContact C-N 3.3Å; K816-R818 PolarHBondContact O-N 3.22Å
817S82.7Confident89.2Confident11 Ų1171.2 Ų71.28%0.07734%0.341CS..THydrogen-bonded Turntrans-88.117.8-178.762.80000113.9D812 S814 Y838D812-S817 PolarHBondContact O-OG 2.88Å; D812-S817 VanDerWaalsContact OD2-CB 3.31Å; D812-S817 WeakPolarHBondContact OD2-CB 3.42Å; S814-S817 PolarHBondContact O-N 2.98Å; S814-S817 PolarHBondContact O-OG 3.17Å; S817-Y838 WeakPolarHBondContact O-CE1 3.49Å; S817-Y838 PolarHBondContact O-OH 2.99Å
818R90.8Very high89.1Confident98 Ų9873.7 Ų73.737%0.3736%0.356SS..  trans-122.578.5-166.4-66.5-170.6-177.9-106.811.9113.7C807 T808 T813 S814 K816C807-R818 WeakPolarHBondContact O-CA 3.43Å; T808-R818 HydrophobicContact CG2-CG 3.94Å; T808-R818 VanDerWaalsContact CG2-NH1 3.25Å; T808-R818 WeakPolarHBondContact OG1-CG 3.39Å; T808-R818 PolarHBondContact OG1-NH1 2.93Å; T813-R818 PolarHBondContact O-NE 2.85Å; T813-R818 VanDerWaalsContact O-NE 3.13Å; T813-R818 PolarHBondContact O-NH2 2.74Å; S814-R818 WeakPolarHBondContact O-CG 2.82Å; K816-R818 VanDerWaalsContact C-N 3.3Å; K816-R818 PolarHBondContact O-N 3.22Å
819Q94.4Very high89.1Confident61 Ų6176.3 Ų76.329%0.28537%0.37SS..  trans-71.6158.2178-58-175.951.500111.6C807 M836 V837 Y838C807-Q819 PolarHBondContact N-O 3.16Å; C807-Q819 PolarHBondContact O-N 2.76Å; Q819-M836 HydrophobicContact CB-CB 4.26Å; Q819-M836 HydrophobicContact CB-CG 3.93Å; Q819-M836 HydrophobicContact CB-SD 3.55Å; Q819-M836 VanDerWaalsContact CB-SD 3.55Å; Q819-M836 VanDerWaalsContact OE1-CB 3.3Å; Q819-V837 PolarHBondContact NE2-O 3.3Å; Q819-Y838 WeakPolarHBondContact CB-OH 3.22Å; Q819-Y838 HydrophobicContact CG-CE1 4.16Å; Q819-Y838 PolarHBondContact N-OH 3.37Å; Q819-Y838 VanDerWaalsContact NE2-CZ 3.3Å
820K94.8Very high89.3Confident137 Ų13775.7 Ų75.760%0.59637%0.367SS*.BIsolated β-bridgetrans-148.6149.8176.166.4176.5-178.1173.70111.3V805 K806V805-K820 CarbonylContact O-C 3.55Å; V805-K820 WeakPolarHBondContact O-CA 3.35Å; V805-K820 WeakPolarHBondContact O-CB 3.25Å; K806-K820 HydrophobicContact CG-CB 3.94Å
821T96.7Very high89.5Confident7 Ų778.9 Ų78.94%0.04339%0.387CS..PPolyproline II helixtrans-77.2167.4173.767.80000111.5V787 V805 F832 H834 M836V787-T821 HydrophobicContact CB-CG2 4.48Å; V805-T821 HydrophobicContact CB-CG2 3.91Å; V805-T821 PolarHBondContact N-OG1 2.85Å; V805-T821 PolarHBondContact O-N 2.7Å; T821-F832 HydrophobicContact CG2-CB 4.22Å; T821-F832 HydrophobicContact CG2-CD1 4.24Å; T821-F832 HydrophobicContact CG2-CG 4.27Å; T821-F832 VanDerWaalsContact OG1-CD1 3.28Å; T821-F832 WeakPolarHBondContact OG1-CD1 3.44Å; T821-F832 WeakPolarHBondContact OG1-CE1 3.13Å; T821-H834 HydrophobicContact CG2-CB 3.85Å; T821-M836 HydrophobicContact CG2-CE 3.39Å
822R95.2Very high89.8Confident222 Ų22278.8 Ų78.884%0.83838%0.383SS*.PPolyproline II helixtrans-65.8148.8163.3-66.4-176.9178.3-124.5-0.2109.7
823A93.7Very high90.3Very high60 Ų6081.3 Ų81.350%0.49640%0.397SS..PPolyproline II helixtrans-75.5128.5174.100000110.8S803 F804S803-A823 CarbonylContact O-C 3.43Å; S803-A823 WeakPolarHBondContact O-CA 3.49Å; F804-A823 HydrophobicContact CB-CB 4.12Å
824V94.3Very high91.3Very high38 Ų3882.6 Ų82.623%0.2340%0.4CS..EExtended strand (participates in β ladder)trans-105.1114.6177.3179.90000107.9N802 S803 T827 P830 V831 F832N802-V824 CarbonylContact C-O 3.57Å; N802-V824 WeakPolarHBondContact CA-O 3.45Å; S803-V824 PolarHBondContact N-O 2.89Å; S803-V824 PolarHBondContact O-N 3.04Å; V824-T827 HydrophobicContact CG1-CG2 3.98Å; V824-P830 HydrophobicContact CB-CB 3.77Å; V824-P830 HydrophobicContact CG1-CB 3.79Å; V824-P830 HydrophobicContact CG2-CB 4.47Å; V824-V831 WeakPolarHBondContact CG2-O 3.36Å; V824-F832 HydrophobicContact CB-CE1 4.12Å; V824-F832 HydrophobicContact CG2-CD1 3.63Å; V824-F832 HydrophobicContact CG2-CE1 3.71Å
825G89.2Confident92.1Very high38 Ų3883.2 Ų83.239%0.39240%0.402SS..EExtended strand (participates in β ladder)trans-89.3156.2-173.700000114.8L801 N802 T827L801-G825 CarbonylContact O-C 3.25Å; N802-G825 WeakPolarHBondContact OD1-CA 3.39Å; G825-T827 PolarHBondContact O-N 2.79Å
826K87.1Confident93Very high161 Ų16172 Ų7270%0.736%0.36SS*.SBendtrans63.431.8165.3-51.8175-175.71740116.2H800 L801H800-K826 HydrophobicContact CB-CB 4.38Å; H800-K826 HydrophobicContact CB-CG 4.31Å; L801-K826 PolarHBondContact O-N 2.65Å
827T91.6Very high93.9Very high42 Ų4265 Ų6526%0.25833%0.334SS..  trans-149.4147.1178-178.30000111.9V824 G825 N829 P830V824-T827 HydrophobicContact CG1-CG2 3.98Å; G825-T827 PolarHBondContact O-N 2.79Å; T827-N829 VanDerWaalsContact C-N 3.32Å; T827-N829 PolarHBondContact OG1-N 2.75Å; T827-N829 PolarHBondContact OG1-O 3.43Å; T827-P830 HydrophobicContact CG2-CB 4.03Å
828T92.2Very high94.4Very high51 Ų5165.2 Ų65.231%0.31333%0.333SS..SBendtrans-83.4-13.4166.850.90000112.4L793 L801 P830L793-T828 VanDerWaalsContact CB-O 3.32Å; L793-T828 WeakPolarHBondContact CB-O 3.36Å; L793-T828 WeakPolarHBondContact CG-O 3.46Å; L793-T828 PolarHBondContact N-O 2.65Å; L793-T828 WeakPolarHBondContact O-CG2 3.18Å; L801-T828 HydrophobicContact CD1-CG2 4.22Å; T828-P830 VanDerWaalsContact O-CD 3.25Å; T828-P830 WeakPolarHBondContact O-CD 3.16Å
829N95Very high94.4Very high61 Ų6166.9 Ų66.933%0.32635%0.35SS..SBendtrans-117.470.3178.8-59.5-63.5000109.9C790 L791 D792 T827C790-N829 CarbonylContact O-C 3.43Å; C790-N829 WeakPolarHBondContact O-CA 3.26Å; L791-N829 VanDerWaalsContact CA-OD1 3.25Å; L791-N829 WeakPolarHBondContact CA-OD1 3.16Å; D792-N829 PolarHBondContact N-OD1 3.31Å; T827-N829 VanDerWaalsContact C-N 3.32Å; T827-N829 PolarHBondContact OG1-N 2.75Å; T827-N829 PolarHBondContact OG1-O 3.43Å
830P95.9Very high94.1Very high0 Ų064.7 Ų64.70%034%0.344CS..  trans-74.4129.3-178.230.9-36.2000111.4E789 C790 L793 V824 T827 T828 F832E789-P830 CarbonylContact C-O 3.39Å; E789-P830 VanDerWaalsContact CA-O 3.25Å; E789-P830 WeakPolarHBondContact CA-O 3.35Å; E789-P830 WeakPolarHBondContact CB-O 3.26Å; C790-P830 HydrophobicContact CB-CG 3.94Å; C790-P830 PolarHBondContact N-O 3.12Å; C790-P830 WeakPolarHBondContact O-CD 3.25Å; L793-P830 HydrophobicContact CD1-CG 3.51Å; V824-P830 HydrophobicContact CB-CB 3.77Å; V824-P830 HydrophobicContact CG1-CB 3.79Å; V824-P830 HydrophobicContact CG2-CB 4.47Å; T827-P830 HydrophobicContact CG2-CB 4.03Å; T828-P830 VanDerWaalsContact O-CD 3.25Å; T828-P830 WeakPolarHBondContact O-CD 3.16Å; P830-F832 HydrophobicContact CB-CE1 4.25Å; P830-F832 HydrophobicContact CB-CE2 3.94Å; P830-F832 HydrophobicContact CB-CZ 3.71Å; P830-F832 HydrophobicContact CG-CE2 3.69Å; P830-F832 HydrophobicContact CG-CZ 3.7Å
831V97.4Very high93.9Very high70 Ų7058.8 Ų58.842%0.42432%0.318SS..EExtended strand (participates in β ladder)trans-97.2115.5170.8-177.30000108.7E789 V824 N833E789-V831 HydrophobicContact CB-CB 4.45Å; E789-V831 HydrophobicContact CB-CG2 4.13Å; V824-V831 WeakPolarHBondContact CG2-O 3.36Å; V831-N833 VanDerWaalsContact CG1-ND2 3.35Å; V831-N833 WeakPolarHBondContact CG1-ND2 3.45Å
832F97.1Very high93.5Very high23 Ų2361.4 Ų61.410%0.10133%0.327CS..EExtended strand (participates in β ladder)trans-94.6-43.2-178.2-63.7-70.4000112.7V787 K788 S803 V805 T821 V824 P830 H834V787-F832 HydrophobicContact CG1-CB 4.24Å; V787-F832 HydrophobicContact CG1-CD2 3.93Å; V787-F832 HydrophobicContact CG1-CG 4.35Å; K788-F832 PolarHBondContact O-N 2.85Å; S803-F832 WeakPolarHBondContact O-CE1 3.37Å; V805-F832 HydrophobicContact CG2-CD2 3.92Å; V805-F832 HydrophobicContact CG2-CE1 4.4Å; V805-F832 HydrophobicContact CG2-CE2 3.51Å; V805-F832 HydrophobicContact CG2-CZ 3.78Å; T821-F832 HydrophobicContact CG2-CB 4.22Å; T821-F832 HydrophobicContact CG2-CD1 4.24Å; T821-F832 HydrophobicContact CG2-CG 4.27Å; T821-F832 VanDerWaalsContact OG1-CD1 3.28Å; T821-F832 WeakPolarHBondContact OG1-CD1 3.44Å; T821-F832 WeakPolarHBondContact OG1-CE1 3.13Å; V824-F832 HydrophobicContact CB-CE1 4.12Å; V824-F832 HydrophobicContact CG2-CD1 3.63Å; V824-F832 HydrophobicContact CG2-CE1 3.71Å; P830-F832 HydrophobicContact CB-CE1 4.25Å; P830-F832 HydrophobicContact CB-CE2 3.94Å; P830-F832 HydrophobicContact CB-CZ 3.71Å; P830-F832 HydrophobicContact CG-CE2 3.69Å; P830-F832 HydrophobicContact CG-CZ 3.7Å; F832-H834 VanDerWaalsContact C-N 3.28Å; F832-H834 HydrophobicContact CB-CB 4.5Å; F832-H834 PolarHBondContact O-N 3.32Å
833N96.7Very high93.1Very high101 Ų10154.2 Ų54.254%0.5431%0.309SS..EExtended strand (participates in β ladder)trans40.555-173.6-73.2-27.9000112.9V787 K788 V831V787-N833 WeakPolarHBondContact O-CA 3.45Å; V787-N833 PolarHBondContact O-N 2.86Å; V787-N833 VanDerWaalsContact O-N 3.16Å; K788-N833 PolarHBondContact O-N 2.84Å; V831-N833 VanDerWaalsContact CG1-ND2 3.35Å; V831-N833 WeakPolarHBondContact CG1-ND2 3.45Å
834H97.3Very high92.8Very high65 Ų6555.9 Ų55.930%0.30131%0.306SS..EExtended strand (participates in β ladder)trans-125.3124.6-173.9-17474.5000110.9V787 T821 F832V787-H834 PolarHBondContact N-O 2.86Å; V787-H834 PolarHBondContact O-N 2.7Å; T821-H834 HydrophobicContact CG2-CB 3.85Å; F832-H834 VanDerWaalsContact C-N 3.28Å; F832-H834 HydrophobicContact CB-CB 4.5Å; F832-H834 PolarHBondContact O-N 3.32Å
835T97.2Very high92.7Very high61 Ų6154.2 Ų54.237%0.37430%0.296SS..EExtended strand (participates in β ladder)trans-98.1127.8177.3-53.30000110.1I785 V837 W906I785-T835 CarbonylContact O-C 3.5Å; I785-T835 WeakPolarHBondContact O-CA 3.29Å; T835-V837 HydrophobicContact CG2-CG2 4.22Å; T835-W906 HydrophobicContact CG2-CH2 4.05Å
836M96.4Very high92.9Very high0 Ų052.6 Ų52.60%028%0.279CS..EExtended strand (participates in β ladder)trans-110.8128.8174-60.6-179.4-16600108.2I785 C807 Q819 T821 Y838I785-M836 HydrophobicContact CB-CB 4.49Å; I785-M836 PolarHBondContact N-O 2.88Å; I785-M836 PolarHBondContact O-N 3.25Å; C807-M836 HydrophobicContact CB-CE 4.26Å; C807-M836 HydrophobicContact CB-SD 3.19Å; C807-M836 WeakPolarHBondContact CB-SD 3.19Å; Q819-M836 HydrophobicContact CB-CB 4.26Å; Q819-M836 HydrophobicContact CB-CG 3.93Å; Q819-M836 HydrophobicContact CB-SD 3.55Å; Q819-M836 VanDerWaalsContact CB-SD 3.55Å; Q819-M836 VanDerWaalsContact OE1-CB 3.3Å; T821-M836 HydrophobicContact CG2-CE 3.39Å; M836-Y838 HydrophobicContact CB-CE2 4.1Å
837V95.4Very high93.1Very high59 Ų5950 Ų5036%0.35827%0.27SS..EExtended strand (participates in β ladder)trans-115.7130.8-176.4-177.40000109.2E782 Q819 T835E782-V837 HydrophobicContact CB-CG1 4.38Å; Q819-V837 PolarHBondContact NE2-O 3.3Å; T835-V837 HydrophobicContact CG2-CG2 4.22Å
838Y93.8Very high93.2Very high15 Ų1550.5 Ų50.56%0.05927%0.27CS..EExtended strand (participates in β ladder)trans-122.4125.6177.1-67.7-88.6000109.8E782 V783 I785 C807 I809 S817 Q819 M836E782-Y838 CarbonylContact C-O 3.55Å; E782-Y838 WeakPolarHBondContact CA-O 3.21Å; V783-Y838 PolarHBondContact N-O 3.04Å; V783-Y838 PolarHBondContact O-N 3.06Å; I785-Y838 HydrophobicContact CD1-CD2 3.75Å; I785-Y838 HydrophobicContact CD1-CE2 3.74Å; C807-Y838 HydrophobicContact CB-CE2 4.48Å; C807-Y838 WeakPolarHBondContact CB-OH 3.47Å; C807-Y838 PolarHBondContact O-OH 3.05Å; C807-Y838 VanDerWaalsContact SG-CE2 3.58Å; C807-Y838 PolarHBondContact SG-OH 3.29Å; C807-Y838 VanDerWaalsContact SG-OH 3.37Å; I809-Y838 HydrophobicContact CD1-CD1 4.32Å; I809-Y838 HydrophobicContact CD1-CD2 3.75Å; I809-Y838 HydrophobicContact CD1-CE1 4.48Å; I809-Y838 HydrophobicContact CD1-CE2 3.91Å; I809-Y838 HydrophobicContact CD1-CG 3.95Å; I809-Y838 HydrophobicContact CG1-CD1 3.47Å; I809-Y838 VanDerWaalsContact CG1-CD1 3.47Å; I809-Y838 HydrophobicContact CG1-CD2 3.84Å; I809-Y838 HydrophobicContact CG1-CE1 3.7Å; I809-Y838 HydrophobicContact CG1-CE2 4.03Å; I809-Y838 HydrophobicContact CG1-CG 3.53Å; S817-Y838 WeakPolarHBondContact O-CE1 3.49Å; S817-Y838 PolarHBondContact O-OH 2.99Å; Q819-Y838 WeakPolarHBondContact CB-OH 3.22Å; Q819-Y838 HydrophobicContact CG-CE1 4.16Å; Q819-Y838 PolarHBondContact N-OH 3.37Å; Q819-Y838 VanDerWaalsContact NE2-CZ 3.3Å; M836-Y838 HydrophobicContact CB-CE2 4.1Å
839D91.4Very high93.3Very high133 Ų13348.2 Ų48.271%0.71126%0.256SS*.EExtended strand (participates in β ladder)trans-94.3168.1179.460-14000111.8
840G88.1Confident93.2Very high15 Ų1545.3 Ų45.316%0.15524%0.24CC..EExtended strand (participates in β ladder)trans88.516.4168.400000115.8G781G781-G840 PolarHBondContact O-N 2.75Å
841F90.2Very high93.2Very high12 Ų1245.3 Ų45.35%0.05324%0.24CC..EExtended strand (participates in β ladder)trans-84.6118.8176.6-71.8-95.6000111.1Y767 T780 G781 V783 I809 D845 L846 A849Y767-F841 HydrophobicContact CE2-CB 4.3Å; T780-F841 CarbonylContact C-O 3.58Å; T780-F841 VanDerWaalsContact CA-O 3.3Å; T780-F841 WeakPolarHBondContact CA-O 3.32Å; G781-F841 PolarHBondContact N-O 3.2Å; G781-F841 PolarHBondContact O-N 3.03Å; G781-F841 VanDerWaalsContact O-N 3.12Å; V783-F841 HydrophobicContact CB-CD2 4.07Å; V783-F841 HydrophobicContact CB-CE2 3.76Å; V783-F841 HydrophobicContact CB-CZ 4.1Å; V783-F841 HydrophobicContact CG2-CB 4.41Å; V783-F841 HydrophobicContact CG2-CD1 4Å; V783-F841 HydrophobicContact CG2-CD2 3.61Å; V783-F841 HydrophobicContact CG2-CE1 4.08Å; V783-F841 HydrophobicContact CG2-CE2 3.69Å; V783-F841 HydrophobicContact CG2-CG 3.75Å; V783-F841 HydrophobicContact CG2-CZ 3.91Å; I809-F841 HydrophobicContact CB-CZ 4.4Å; I809-F841 HydrophobicContact CD1-CZ 4.17Å; I809-F841 HydrophobicContact CG1-CZ 4.05Å; I809-F841 HydrophobicContact CG2-CE1 3.85Å; I809-F841 HydrophobicContact CG2-CZ 3.55Å; F841-D845 HydrophobicContact CD1-CB 4.38Å; F841-L846 HydrophobicContact CB-CD2 4.29Å; F841-L846 HydrophobicContact CD1-CD2 3.96Å; F841-L846 HydrophobicContact CG-CD2 4.33Å; F841-A849 HydrophobicContact CE1-CB 3.96Å
842R88.1Confident93.1Very high63 Ų6342.4 Ų42.424%0.23822%0.222CC..  trans-76.7157.2161.5-57.7-179174.9-171.4-3.6110E464 S466 T780 E844 D845 L846E464-R842 PolarHBondContact O-NH2 3.13Å; S466-R842 VanDerWaalsContact CB-CZ 3.43Å; T780-R842 HydrophobicContact CG2-CG 3.85Å; R842-E844 WeakPolarHBondContact CB-OE2 3.4Å; R842-E844 VanDerWaalsContact CD-OE2 3.26Å; R842-E844 WeakPolarHBondContact CD-OE2 3.24Å; R842-E844 PolarHBondContact O-N 3.22Å; R842-E844 VanDerWaalsContact O-N 3.17Å; R842-D845 HydrophobicContact CB-CB 4.48Å; R842-D845 WeakPolarHBondContact CB-OD2 3.35Å; R842-D845 WeakPolarHBondContact CG-OD2 3.35Å; R842-D845 PolarHBondContact N-OD2 3.03Å; R842-D845 WeakPolarHBondContact O-CB 3.44Å; R842-D845 PolarHBondContact O-N 3.31Å; R842-L846 PolarHBondContact O-N 2.91Å
843P86.2Confident93.1Very high71 Ų7141.3 Ų41.346%0.46122%0.217SC..THydrogen-bonded Turntrans-50.5-37.8171.5-2734.5000113L846P843-L846 WeakPolarHBondContact O-CB 3.38Å; P843-L846 PolarHBondContact O-N 3.09Å
844E89.3Confident93Very high94 Ų9436.9 Ų36.944%0.43919%0.194SC..THydrogen-bonded Turntrans-67-36.9176.8-39.978.1-11400112.7R842 L846 M847R842-E844 WeakPolarHBondContact CB-OE2 3.4Å; R842-E844 VanDerWaalsContact CD-OE2 3.26Å; R842-E844 WeakPolarHBondContact CD-OE2 3.24Å; R842-E844 PolarHBondContact O-N 3.22Å; R842-E844 VanDerWaalsContact O-N 3.17Å; E844-L846 PolarHBondContact O-N 3.2Å; E844-M847 PolarHBondContact O-N 3.39Å
845D91.7Very high92.9Very high4 Ų433.8 Ų33.82%0.02118%0.18CC..Hα-helixtrans-66-27.3-178.9-61.8-36.9000111.2F841 R842 M847 E848 A849 Y879F841-D845 HydrophobicContact CD1-CB 4.38Å; R842-D845 HydrophobicContact CB-CB 4.48Å; R842-D845 WeakPolarHBondContact CB-OD2 3.35Å; R842-D845 WeakPolarHBondContact CG-OD2 3.35Å; R842-D845 PolarHBondContact N-OD2 3.03Å; R842-D845 WeakPolarHBondContact O-CB 3.44Å; R842-D845 PolarHBondContact O-N 3.31Å; D845-M847 PolarHBondContact O-N 2.92Å; D845-E848 PolarHBondContact O-N 2.87Å; D845-E848 VanDerWaalsContact O-N 3.15Å; D845-A849 WeakPolarHBondContact O-CB 3.49Å; D845-A849 PolarHBondContact O-N 3.16Å; D845-Y879 PolarHBondContact OD1-OH 3.04Å; D845-Y879 VanDerWaalsContact OD1-OH 3.08Å
846L92.6Very high92.7Very high4 Ų432.5 Ų32.52%0.02117%0.168CC..Hα-helixtrans-63.5-27.7176.8-65174.7000112.9Y767 V783 F841 R842 P843 E844 E848 F873 W896 M899 V900Y767-L846 HydrophobicContact CD1-CD1 3.78Å; Y767-L846 HydrophobicContact CD2-CD1 4Å; Y767-L846 HydrophobicContact CD2-CD2 4.03Å; Y767-L846 HydrophobicContact CE1-CD1 3.62Å; Y767-L846 HydrophobicContact CE2-CD1 3.86Å; Y767-L846 HydrophobicContact CE2-CD2 4.17Å; Y767-L846 HydrophobicContact CE2-CG 4.37Å; Y767-L846 HydrophobicContact CG-CD1 3.97Å; V783-L846 HydrophobicContact CG2-CD2 3.78Å; F841-L846 HydrophobicContact CB-CD2 4.29Å; F841-L846 HydrophobicContact CD1-CD2 3.96Å; F841-L846 HydrophobicContact CG-CD2 4.33Å; R842-L846 PolarHBondContact O-N 2.91Å; P843-L846 WeakPolarHBondContact O-CB 3.38Å; P843-L846 PolarHBondContact O-N 3.09Å; E844-L846 PolarHBondContact O-N 3.2Å; L846-E848 VanDerWaalsContact C-N 3.35Å; L846-F873 WeakPolarHBondContact O-CD2 3.31Å; L846-F873 VanDerWaalsContact O-CE2 3.25Å; L846-F873 WeakPolarHBondContact O-CE2 3.26Å; L846-W896 HydrophobicContact CD2-CZ2 4.26Å; L846-W896 PolarHBondContact O-NE1 2.84Å; L846-M899 HydrophobicContact CD2-CE 4.36Å; L846-V900 HydrophobicContact CB-CG2 4.31Å; L846-V900 HydrophobicContact CD1-CG2 4.35Å
847M92.2Very high92.4Very high106 Ų10632.5 Ų32.552%0.52217%0.168SC..Hα-helixtrans-76.6-26.7177.4-58.7-170.2-57.200112.3E844 D845 F873 M886E844-M847 PolarHBondContact O-N 3.39Å; D845-M847 PolarHBondContact O-N 2.92Å; M847-F873 HydrophobicContact CB-CE2 4.48Å; M847-F873 HydrophobicContact CG-CE2 4.38Å; M847-M886 WeakPolarHBondContact O-CE 3.4Å
848E92.7Very high92Very high53 Ų5333.5 Ų33.525%0.24817%0.169CC..Hα-helixtrans-110.6-9.1-169.3-61.4-71-173.600113.1D845 L846 S878 Y879D845-E848 PolarHBondContact O-N 2.87Å; D845-E848 VanDerWaalsContact O-N 3.15Å; L846-E848 VanDerWaalsContact C-N 3.35Å; E848-S878 PolarHBondContact O-OG 3.05Å; E848-S878 WeakPolarHBondContact OE2-CA 3.34Å; E848-Y879 HydrophobicContact CB-CD1 4.25Å; E848-Y879 HydrophobicContact CB-CD2 3.93Å; E848-Y879 HydrophobicContact CB-CE1 3.95Å; E848-Y879 HydrophobicContact CB-CE2 3.54Å; E848-Y879 HydrophobicContact CB-CG 4.23Å; E848-Y879 VanDerWaalsContact CD-N 3.34Å; E848-Y879 HydrophobicContact CG-CD1 4.28Å; E848-Y879 HydrophobicContact CG-CE1 4.25Å; E848-Y879 HydrophobicContact CG-CG 4.47Å; E848-Y879 PolarHBondContact OE2-N 3.3Å
849A93.7Very high91.3Very high3 Ų336.5 Ų36.53%0.02518%0.181CC..  trans-95.5155.6179.900000112.8I809 L810 F841 D845I809-A849 HydrophobicContact CG2-CB 4.43Å; L810-A849 WeakPolarHBondContact O-CA 3.47Å; F841-A849 HydrophobicContact CE1-CB 3.96Å; D845-A849 WeakPolarHBondContact O-CB 3.49Å; D845-A849 PolarHBondContact O-N 3.16Å
850C94.6Very high90.6Very high0 Ų037.5 Ų37.50%018%0.179CC..EExtended strand (participates in β ladder)trans-140133.1176.4175.50000110.3L810 W885 M886L810-C850 HydrophobicContact CB-CB 4.41Å; L810-C850 PolarHBondContact N-O 3.09Å; L810-C850 PolarHBondContact O-N 2.92Å; C850-W885 HydrophobicContact CB-CE3 3.93Å; C850-W885 HydrophobicContact CB-CZ3 3.77Å; C850-M886 HydrophobicContact CB-SD 3.9Å
851V95.7Very high90.2Very high0 Ų044.8 Ų44.80%021%0.213CC..EExtended strand (participates in β ladder)trans-86.3114.2174176.30000109.4I785 I809 L853 R870 I871 W896I785-V851 HydrophobicContact CD1-CB 4.47Å; I785-V851 HydrophobicContact CD1-CG1 3.67Å; I785-V851 HydrophobicContact CD1-CG2 3.88Å; I785-V851 HydrophobicContact CG1-CG1 4.5Å; I809-V851 HydrophobicContact CD1-CB 4.46Å; I809-V851 HydrophobicContact CD1-CG2 3.72Å; V851-L853 HydrophobicContact CG1-CD1 4.29Å; V851-L853 HydrophobicContact CG1-CG 3.99Å; V851-R870 CarbonylContact O-C 3.54Å; V851-R870 WeakPolarHBondContact O-CA 3.48Å; V851-I871 HydrophobicContact CB-CB 4.35Å; V851-I871 PolarHBondContact N-O 2.78Å; V851-I871 PolarHBondContact O-N 2.81Å; V851-W896 HydrophobicContact CB-CZ3 4.39Å; V851-W896 HydrophobicContact CG2-CE3 4.44Å; V851-W896 HydrophobicContact CG2-CH2 3.8Å; V851-W896 HydrophobicContact CG2-CZ3 3.43Å; V851-W896 VanDerWaalsContact CG2-CZ3 3.43Å
852E95.3Very high89.3Confident8 Ų845.8 Ų45.84%0.03722%0.22CC..EExtended strand (participates in β ladder)trans-96114.9171.9-172.3177.780.900110.1C807 T808 L810 T854 R870 L916C807-E852 CarbonylContact C-O 3.54Å; C807-E852 WeakPolarHBondContact CA-O 3.27Å; T808-E852 PolarHBondContact N-O 3.49Å; T808-E852 PolarHBondContact O-N 2.69Å; L810-E852 HydrophobicContact CD1-CB 4.09Å; L810-E852 HydrophobicContact CG-CB 4.36Å; E852-T854 HydrophobicContact CG-CG2 4.1Å; E852-R870 HydrophobicContact CB-CG 4.41Å; E852-R870 HydrophobicContact CG-CG 4.18Å; E852-R870 IonicContact OE2-CZ 3.74Å; E852-R870 IonicContact OE2-NE 2.65Å; E852-R870 PolarHBondContact OE2-NE 2.84Å; E852-R870 IonicContact OE2-NH2 3.09Å; E852-R870 PolarHBondContact OE2-NH2 2.65Å; E852-L916 HydrophobicContact CG-CD1 4.38Å
853L96.4Very high89.1Confident0 Ų046.1 Ų46.10%023%0.227CC..EExtended strand (participates in β ladder)trans-109.9122.8174.5-71.3165.5000109.5M761 L763 I785 V787 V805 K806 C807 V851 G868 L869 I871M761-L853 HydrophobicContact SD-CB 4.32Å; M761-L853 HydrophobicContact SD-CD1 4.04Å; L763-L853 HydrophobicContact CD1-CD1 4.24Å; L763-L853 HydrophobicContact CD2-CD1 4.17Å; I785-L853 HydrophobicContact CG2-CD1 4.32Å; I785-L853 HydrophobicContact CG2-CD2 4.3Å; V787-L853 HydrophobicContact CG2-CD2 4.08Å; V805-L853 HydrophobicContact CG1-CB 4.47Å; V805-L853 HydrophobicContact CG1-CD2 3.98Å; K806-L853 WeakPolarHBondContact O-CA 3.15Å; C807-L853 HydrophobicContact CB-CD2 3.68Å; V851-L853 HydrophobicContact CG1-CD1 4.29Å; V851-L853 HydrophobicContact CG1-CG 3.99Å; L853-G868 CarbonylContact O-C 3.4Å; L853-G868 WeakPolarHBondContact O-CA 3.44Å; L853-L869 HydrophobicContact CB-CB 4.43Å; L853-L869 PolarHBondContact N-O 2.85Å; L853-L869 PolarHBondContact O-N 3.25Å; L853-I871 HydrophobicContact CD1-CD1 3.98Å
854T94.8Very high89Confident9 Ų944.5 Ų44.56%0.05521%0.213CC..EExtended strand (participates in β ladder)trans-125.8129.9-178.654.70000111.6V805 K806 E852 W856 F865 L916V805-T854 CarbonylContact C-O 3.47Å; V805-T854 WeakPolarHBondContact CA-O 3.49Å; K806-T854 PolarHBondContact N-O 2.8Å; K806-T854 PolarHBondContact O-N 3.3Å; K806-T854 PolarHBondContact O-OG1 2.92Å; E852-T854 HydrophobicContact CG-CG2 4.1Å; T854-W856 VanDerWaalsContact CB-NE1 3.33Å; T854-W856 VanDerWaalsContact O-CD1 3.25Å; T854-W856 PolarHBondContact OG1-NE1 2.89Å; T854-F865 HydrophobicContact CG2-CE2 3.84Å; T854-L916 HydrophobicContact CG2-CD1 4.4Å
855V94.8Very high89Confident0 Ų041.6 Ų41.60%020%0.199CC..EExtended strand (participates in β ladder)trans-96.9132.6179.1-166.80000110M761 L793 V805 L866 G867 L913M761-V855 HydrophobicContact CE-CG2 3.28Å; L793-V855 HydrophobicContact CD1-CG1 3.98Å; L793-V855 HydrophobicContact CD2-CG1 4.16Å; V805-V855 HydrophobicContact CG2-CG2 4.23Å; V855-L866 HydrophobicContact CB-CB 4.32Å; V855-L866 HydrophobicContact CG1-CB 4.36Å; V855-L866 HydrophobicContact CG1-CD1 4.08Å; V855-L866 PolarHBondContact O-N 3.13Å; V855-G867 PolarHBondContact N-O 3.06Å; V855-L913 HydrophobicContact CG2-CD1 3.93Å; V855-L913 HydrophobicContact CG2-CD2 3.84Å
856W92.8Very high88.8Confident33 Ų3341.4 Ų41.413%0.12520%0.198CC..EExtended strand (participates in β ladder)trans-133.8136.6-175.3-62.380.3000111.3S803 F804 T854 N863 Q864 F865 I918S803-W856 CarbonylContact C-O 3.46Å; S803-W856 WeakPolarHBondContact CA-O 3.25Å; F804-W856 HydrophobicContact CD1-CB 4.1Å; F804-W856 WeakPolarHBondContact CD1-O 3.43Å; F804-W856 HydrophobicContact CD2-CB 4.3Å; F804-W856 HydrophobicContact CE1-CB 3.55Å; F804-W856 HydrophobicContact CE2-CB 3.76Å; F804-W856 AromaticContact CE2-CD1 4Å; F804-W856 AromaticContact CE2-CG 3.97Å; F804-W856 HydrophobicContact CE2-CG 3.97Å; F804-W856 HydrophobicContact CG-CB 4.45Å; F804-W856 HydrophobicContact CZ-CB 3.37Å; F804-W856 AromaticContact CZ-CG 3.86Å; F804-W856 HydrophobicContact CZ-CG 3.86Å; F804-W856 PolarHBondContact N-O 2.93Å; F804-W856 PolarHBondContact O-N 2.86Å; T854-W856 VanDerWaalsContact CB-NE1 3.33Å; T854-W856 VanDerWaalsContact O-CD1 3.25Å; T854-W856 PolarHBondContact OG1-NE1 2.89Å; W856-N863 HydrophobicContact CE3-CB 3.88Å; W856-N863 HydrophobicContact CZ3-CB 4.5Å; W856-Q864 CarbonylContact C-O 3.46Å; W856-Q864 VanDerWaalsContact CA-O 3.24Å; W856-Q864 WeakPolarHBondContact CA-O 3.26Å; W856-F865 HydrophobicContact CD2-CB 4.48Å; W856-F865 HydrophobicContact CD2-CD2 4.35Å; W856-F865 AromaticContact CE2-CD2 3.96Å; W856-F865 HydrophobicContact CE3-CB 4.02Å; W856-F865 HydrophobicContact CH2-CB 4.09Å; W856-F865 HydrophobicContact CH2-CD2 4.31Å; W856-F865 AromaticContact CZ2-CD2 3.95Å; W856-F865 HydrophobicContact CZ2-CD2 3.95Å; W856-F865 HydrophobicContact CZ3-CB 3.82Å; W856-I918 HydrophobicContact CH2-CD1 3.74Å; W856-I918 HydrophobicContact CZ2-CD1 3.85Å
857D90.3Very high88.7Confident0 Ų041.2 Ų41.20%020%0.197CC..EExtended strand (participates in β ladder)trans-87.2123.3165.6174.736000110.6L801 N802 N863 Q864 L866L801-D857 HydrophobicContact CD2-CB 4.11Å; N802-D857 PolarHBondContact N-OD1 2.81Å; D857-N863 CarbonylContact O-C 3.52Å; D857-N863 VanDerWaalsContact O-CA 3.29Å; D857-N863 WeakPolarHBondContact O-CA 3.34Å; D857-Q864 HydrophobicContact CB-CB 4.33Å; D857-Q864 PolarHBondContact N-O 2.79Å; D857-Q864 PolarHBondContact O-N 3.4Å; D857-L866 HydrophobicContact CB-CD1 4.1Å; D857-L866 HydrophobicContact CB-CD2 4.03Å; D857-L866 HydrophobicContact CB-CG 4.19Å
858H87.1Confident88.8Confident81 Ų8136.2 Ų36.238%0.37517%0.172SC..EExtended strand (participates in β ladder)trans-88.7102.2174.6-177.3-96.6000110.7N802 F804 N863N802-H858 HydrophobicContact CB-CB 4.28Å; N802-H858 WeakPolarHBondContact CB-O 3.37Å; N802-H858 PolarHBondContact ND2-O 2.85Å; N802-H858 VanDerWaalsContact ND2-O 3.12Å; N802-H858 WeakPolarHBondContact O-CB 3.46Å; N802-H858 PolarHBondContact O-N 3.5Å; F804-H858 HydrophobicContact CD1-CB 3.99Å; F804-H858 HydrophobicContact CE1-CB 3.88Å; H858-N863 PolarHBondContact CD2-OD1 3.02Å
859Y78.9Confident89Confident78 Ų7833.7 Ų33.731%0.30616%0.16SC..EExtended strand (participates in β ladder)trans-114.8105.6177.3-172-97.4000112.1L861 T862Y859-L861 PolarHBondContact O-N 2.81Å; Y859-T862 CarbonylContact C-O 3.45Å; Y859-T862 PolarHBondContact N-O 2.83Å; Y859-T862 PolarHBondContact O-N 2.79Å; Y859-T862 PolarHBondContact O-OG1 2.9Å; Y859-T862 VanDerWaalsContact O-OG1 3.06Å
860K78Confident89.1Confident154 Ų15433.6 Ų33.667%0.6716%0.16SC*.THydrogen-bonded Turntrans56.5-91.1179.1-61.1177.3177.9170.90113.2
861L77.8Confident89.2Confident168 Ų16833.6 Ų33.688%0.8816%0.16SC*.THydrogen-bonded Turntrans-122.56.9-177.1-68.9159.9000111.4Y859Y859-L861 PolarHBondContact O-N 2.81Å
862T72.6Confident89.2Confident33 Ų3333.6 Ų33.620%0.20216%0.16CC..EExtended strand (participates in β ladder)trans-131.4129.8-175.560.10000110.1Y859Y859-T862 CarbonylContact C-O 3.45Å; Y859-T862 PolarHBondContact N-O 2.83Å; Y859-T862 PolarHBondContact O-N 2.79Å; Y859-T862 PolarHBondContact O-OG1 2.9Å; Y859-T862 VanDerWaalsContact O-OG1 3.06Å
863N84Confident89.2Confident70 Ų7035.8 Ų35.837%0.37417%0.169SC..EExtended strand (participates in β ladder)trans-93.5137.4171.3-60.9-39.5000109.4F804 W856 D857 H858F804-N863 HydrophobicContact CZ-CB 4.46Å; W856-N863 HydrophobicContact CE3-CB 3.88Å; W856-N863 HydrophobicContact CZ3-CB 4.5Å; D857-N863 CarbonylContact O-C 3.52Å; D857-N863 VanDerWaalsContact O-CA 3.29Å; D857-N863 WeakPolarHBondContact O-CA 3.34Å; H858-N863 PolarHBondContact CD2-OD1 3.02Å
864Q83.9Confident89Confident37 Ų3737.1 Ų37.117%0.17318%0.183CC..EExtended strand (participates in β ladder)trans-114.1126.5176.1-179.7164.716.300109.8L796 W856 D857L796-Q864 HydrophobicContact CD1-CG 3.9Å; L796-Q864 VanDerWaalsContact CD1-NE2 3.28Å; W856-Q864 CarbonylContact C-O 3.46Å; W856-Q864 VanDerWaalsContact CA-O 3.24Å; W856-Q864 WeakPolarHBondContact CA-O 3.26Å; D857-Q864 HydrophobicContact CB-CB 4.33Å; D857-Q864 PolarHBondContact N-O 2.79Å; D857-Q864 PolarHBondContact O-N 3.4Å
865F88.4Confident88.9Confident33 Ų3340.4 Ų40.415%0.14520%0.203CC..EExtended strand (participates in β ladder)trans-71.3130.1176.2179.5-111.3000110T854 W856 G867 M915 L916 I918T854-F865 HydrophobicContact CG2-CE2 3.84Å; W856-F865 HydrophobicContact CD2-CB 4.48Å; W856-F865 HydrophobicContact CD2-CD2 4.35Å; W856-F865 AromaticContact CE2-CD2 3.96Å; W856-F865 HydrophobicContact CE3-CB 4.02Å; W856-F865 HydrophobicContact CH2-CB 4.09Å; W856-F865 HydrophobicContact CH2-CD2 4.31Å; W856-F865 AromaticContact CZ2-CD2 3.95Å; W856-F865 HydrophobicContact CZ2-CD2 3.95Å; W856-F865 HydrophobicContact CZ3-CB 3.82Å; F865-G867 VanDerWaalsContact CE2-C 3.48Å; F865-G867 WeakPolarHBondContact CE2-O 3.34Å; F865-M915 HydrophobicContact CD1-SD 4.26Å; F865-M915 HydrophobicContact CE1-SD 4.05Å; F865-L916 HydrophobicContact CZ-CB 4.2Å; F865-I918 HydrophobicContact CD2-CD1 4.44Å
866L88.9Confident88.7Confident0 Ų041.9 Ų41.90%022%0.218CC..EExtended strand (participates in β ladder)trans-102.1-39.4179.1-59.3-178000111.4R758 L793 P794 L796 L801 V855 D857R758-L866 WeakPolarHBondContact CD-O 3.25Å; R758-L866 PolarHBondContact NH1-O 3.16Å; L793-L866 HydrophobicContact CB-CD1 4.36Å; L793-L866 HydrophobicContact CD1-CD1 4.03Å; P794-L866 HydrophobicContact CG-CD2 4.48Å; L796-L866 HydrophobicContact CD1-CD2 3.74Å; L796-L866 HydrophobicContact CG-CD2 4.09Å; L801-L866 HydrophobicContact CD1-CD1 4.22Å; V855-L866 HydrophobicContact CB-CB 4.32Å; V855-L866 HydrophobicContact CG1-CB 4.36Å; V855-L866 HydrophobicContact CG1-CD1 4.08Å; V855-L866 PolarHBondContact O-N 3.13Å; D857-L866 HydrophobicContact CB-CD1 4.1Å; D857-L866 HydrophobicContact CB-CD2 4.03Å; D857-L866 HydrophobicContact CB-CG 4.19Å
867G90.7Very high88.6Confident0 Ų045.1 Ų45.10%023%0.233CC..EExtended strand (participates in β ladder)trans168.6177.5-179.500000111V855 F865 R914V855-G867 PolarHBondContact N-O 3.06Å; F865-G867 VanDerWaalsContact CE2-C 3.48Å; F865-G867 WeakPolarHBondContact CE2-O 3.34Å; G867-R914 CarbonylContact C-O 3.49Å; G867-R914 WeakPolarHBondContact CA-O 3.32Å
868G93.8Very high88.7Confident0 Ų045.4 Ų45.40%024%0.235CC..EExtended strand (participates in β ladder)trans-163.5174.2176.300000114L853 R914L853-G868 CarbonylContact O-C 3.4Å; L853-G868 WeakPolarHBondContact O-CA 3.44Å; G868-R914 PolarHBondContact N-O 2.81Å; G868-R914 PolarHBondContact O-N 3.11Å
869L95.7Very high88.9Confident0 Ų043.6 Ų43.60%023%0.225CC..EExtended strand (participates in β ladder)trans-126.1151.2177.8-57.4173.9000109.8M761 L763 L853 I871 E892 L911 P912 L913M761-L869 HydrophobicContact CB-CD1 4.01Å; M761-L869 HydrophobicContact CG-CD1 4.41Å; M761-L869 HydrophobicContact SD-CD1 4.06Å; L763-L869 HydrophobicContact CD2-CD1 3.59Å; L853-L869 HydrophobicContact CB-CB 4.43Å; L853-L869 PolarHBondContact N-O 2.85Å; L853-L869 PolarHBondContact O-N 3.25Å; L869-I871 HydrophobicContact CB-CD1 4.38Å; L869-I871 HydrophobicContact CB-CG1 4.14Å; L869-I871 HydrophobicContact CD1-CD1 4.35Å; L869-E892 WeakPolarHBondContact CD2-OE1 3.47Å; L869-L911 HydrophobicContact CD1-CB 3.78Å; L869-L911 HydrophobicContact CD1-CD1 4.04Å; L869-L911 HydrophobicContact CD2-CB 3.83Å; L869-L911 HydrophobicContact CG-CB 4.47Å; L869-P912 WeakPolarHBondContact CD2-O 3.47Å; L869-L913 HydrophobicContact CD2-CD2 4.33Å; L869-L913 HydrophobicContact CG-CD2 4.06Å
870R95.8Very high89.4Confident2 Ų243.2 Ų43.21%0.00825%0.245CC..EExtended strand (participates in β ladder)trans-129.1106.1170.4-79.2175.6175.3169.1-2.6108.6V851 E852 D884 W885 D887 S888 E892 L916 L917V851-R870 CarbonylContact O-C 3.54Å; V851-R870 WeakPolarHBondContact O-CA 3.48Å; E852-R870 HydrophobicContact CB-CG 4.41Å; E852-R870 HydrophobicContact CG-CG 4.18Å; E852-R870 IonicContact OE2-CZ 3.74Å; E852-R870 IonicContact OE2-NE 2.65Å; E852-R870 PolarHBondContact OE2-NE 2.84Å; E852-R870 IonicContact OE2-NH2 3.09Å; E852-R870 PolarHBondContact OE2-NH2 2.65Å; R870-D884 PolarHBondContact NH1-O 3.5Å; R870-W885 WeakPolarHBondContact CD-O 3.35Å; R870-D887 WeakPolarHBondContact CD-OD1 3.38Å; R870-D887 IonicContact CZ-OD1 2.89Å; R870-D887 IonicContact NE-OD1 2.66Å; R870-D887 IonicContact NH1-OD1 2.68Å; R870-D887 PolarHBondContact NH1-OD1 2.82Å; R870-D887 IonicContact NH1-OD2 3.57Å; R870-D887 PolarHBondContact NH1-OD2 3.05Å; R870-S888 VanDerWaalsContact O-CB 3.29Å; R870-S888 WeakPolarHBondContact O-CB 3.12Å; R870-S888 PolarHBondContact O-OG 2.82Å; R870-E892 PolarHBondContact N-OE1 2.91Å; R870-L916 HydrophobicContact CG-CD1 3.96Å; R870-L916 HydrophobicContact CG-CD2 4.3Å; R870-L917 PolarHBondContact NH2-O 2.79Å
871I97.1Very high90Very high0 Ų039.8 Ų39.80%024%0.237CC..EExtended strand (participates in β ladder)trans-109.9109-169.7-47.1172.4000108.2L763 L765 V851 L853 L869 E892 L895 W896 L911L763-I871 HydrophobicContact CD1-CD1 3.71Å; L763-I871 HydrophobicContact CD2-CD1 4.06Å; L765-I871 HydrophobicContact CD1-CG2 3.89Å; V851-I871 HydrophobicContact CB-CB 4.35Å; V851-I871 PolarHBondContact N-O 2.78Å; V851-I871 PolarHBondContact O-N 2.81Å; L853-I871 HydrophobicContact CD1-CD1 3.98Å; L869-I871 HydrophobicContact CB-CD1 4.38Å; L869-I871 HydrophobicContact CB-CG1 4.14Å; L869-I871 HydrophobicContact CD1-CD1 4.35Å; I871-E892 HydrophobicContact CG1-CG 4.43Å; I871-E892 WeakPolarHBondContact CG2-O 3.44Å; I871-L895 HydrophobicContact CD1-CD2 4.18Å; I871-L895 HydrophobicContact CG2-CD2 4.23Å; I871-L895 HydrophobicContact CG2-CG 4.49Å; I871-W896 HydrophobicContact CG2-CB 4.09Å; I871-W896 HydrophobicContact CG2-CE3 4Å; I871-L911 HydrophobicContact CD1-CD1 4.03Å; I871-L911 HydrophobicContact CG1-CD1 4.31Å
872G95.8Very high90.6Very high0 Ų038.9 Ų38.90%023%0.228CC..EExtended strand (participates in β ladder)trans-171-169.9-176.300000109.3G874 S888 V893G872-G874 VanDerWaalsContact C-N 3.28Å; G872-G874 PolarHBondContact O-N 3.06Å; G872-S888 PolarHBondContact N-OG 2.9Å; G872-S888 VanDerWaalsContact N-OG 3.13Å; G872-S888 WeakPolarHBondContact O-CB 3.46Å; G872-S888 PolarHBondContact O-OG 2.74Å; G872-V893 WeakPolarHBondContact O-CG2 3.12Å
873F95Very high91.3Very high53 Ų5338.8 Ų38.823%0.23223%0.227CC..  trans-75.8-6-179.1-79.8-82.7000115.2L846 M847 T875 M886 W896 E897 V900L846-F873 WeakPolarHBondContact O-CD2 3.31Å; L846-F873 VanDerWaalsContact O-CE2 3.25Å; L846-F873 WeakPolarHBondContact O-CE2 3.26Å; M847-F873 HydrophobicContact CB-CE2 4.48Å; M847-F873 HydrophobicContact CG-CE2 4.38Å; F873-T875 HydrophobicContact CB-CG2 3.9Å; F873-T875 PolarHBondContact O-N 2.78Å; F873-T875 VanDerWaalsContact O-N 3.15Å; F873-M886 HydrophobicContact CB-CE 4.07Å; F873-W896 AromaticContact CD2-CD1 3.33Å; F873-W896 AromaticContact CD2-NE1 3.33Å; F873-W896 VanDerWaalsContact CD2-NE1 3.33Å; F873-W896 AromaticContact CE2-CD1 3.36Å; F873-W896 AromaticContact CE2-NE1 3.32Å; F873-W896 VanDerWaalsContact CE2-NE1 3.32Å; F873-W896 AromaticContact CG-CD1 3.91Å; F873-W896 AromaticContact CZ-CD1 3.98Å; F873-E897 HydrophobicContact CD1-CG 4.06Å; F873-E897 HydrophobicContact CE1-CG 3.65Å; F873-E897 HydrophobicContact CZ-CG 4.5Å; F873-V900 HydrophobicContact CE2-CG2 4.2Å; F873-V900 HydrophobicContact CZ-CG2 4.18Å
874G92.5Very high91.4Very high28 Ų2840.5 Ų40.529%0.28924%0.236SC..  trans62.523.9173.100000115.6G872 G876 M886G872-G874 VanDerWaalsContact C-N 3.28Å; G872-G874 PolarHBondContact O-N 3.06Å; G874-G876 VanDerWaalsContact C-N 3.25Å; G874-G876 PolarHBondContact O-N 3.44Å; G874-M886 CarbonylContact C-O 3.41Å; G874-M886 VanDerWaalsContact C-O 3.25Å; G874-M886 WeakPolarHBondContact CA-O 3.16Å
875T93.1Very high91.7Very high79 Ų7940 Ų4049%0.48523%0.233SC..  trans-73.1-8.3-17457.80000114.8F873 K877 M886F873-T875 HydrophobicContact CB-CG2 3.9Å; F873-T875 PolarHBondContact O-N 2.78Å; F873-T875 VanDerWaalsContact O-N 3.15Å; T875-K877 PolarHBondContact O-N 3.47Å; T875-K877 VanDerWaalsContact O-N 3.13Å; T875-K877 PolarHBondContact OG1-N 3.36Å; T875-K877 PolarHBondContact OG1-O 3.39Å; T875-M886 WeakPolarHBondContact OG1-CG 3.39Å
876G90.6Very high91.8Very high30 Ų3038.5 Ų38.531%0.30923%0.227SC..SBendtrans66.92.2-170.100000114.7G874 V883 M886G874-G876 VanDerWaalsContact C-N 3.25Å; G874-G876 PolarHBondContact O-N 3.44Å; G876-V883 PolarHBondContact O-N 3.43Å; G876-M886 WeakPolarHBondContact CA-O 3.47Å; G876-M886 PolarHBondContact N-O 3.26Å
877K91.6Very high92Very high101 Ų10141.6 Ų41.644%0.43924%0.243SC..EExtended strand (participates in β ladder)trans-134.6145.5-177.6-62.3-175.1-179.5-1740110.3T875 T881 E882T875-K877 PolarHBondContact O-N 3.47Å; T875-K877 VanDerWaalsContact O-N 3.13Å; T875-K877 PolarHBondContact OG1-N 3.36Å; T875-K877 PolarHBondContact OG1-O 3.39Å; K877-T881 CarbonylContact C-O 3.53Å; K877-T881 VanDerWaalsContact CA-O 3.24Å; K877-T881 WeakPolarHBondContact CA-O 3.43Å; K877-E882 HydrophobicContact CD-CG 4.28Å; K877-E882 HydrophobicContact CG-CG 3.99Å; K877-E882 IonicContact NZ-OE1 3.92Å
878S91.7Very high92.2Very high6 Ų642.4 Ų42.44%0.04225%0.249CC..EExtended strand (participates in β ladder)trans-140127.4173.2-1800000110.2E848 G880 T881 W885E848-S878 PolarHBondContact O-OG 3.05Å; E848-S878 WeakPolarHBondContact OE2-CA 3.34Å; S878-G880 PolarHBondContact O-N 3.22Å; S878-T881 PolarHBondContact N-O 3.16Å; S878-T881 WeakPolarHBondContact O-CB 3.31Å; S878-T881 PolarHBondContact O-N 2.83Å; S878-W885 WeakPolarHBondContact OG-CH2 3.12Å
879Y91.7Very high92.1Very high44 Ų4444.5 Ų44.517%0.17326%0.262CS..THydrogen-bonded Turntrans46.947.2-173.4-59.2-88.6000111.7V468 L469 L472 P811 D845 E848 T881V468-Y879 HydrophobicContact CG1-CE1 4.42Å; V468-Y879 HydrophobicContact CG1-CE2 3.96Å; V468-Y879 WeakPolarHBondContact CG1-OH 3.41Å; L469-Y879 HydrophobicContact CD2-CD1 4.09Å; L469-Y879 HydrophobicContact CD2-CE1 4.22Å; L472-Y879 HydrophobicContact CD2-CD1 4.33Å; L472-Y879 HydrophobicContact CD2-CD2 4.43Å; L472-Y879 HydrophobicContact CD2-CG 3.84Å; P811-Y879 HydrophobicContact CG-CD2 4.1Å; P811-Y879 HydrophobicContact CG-CE2 3.7Å; D845-Y879 PolarHBondContact OD1-OH 3.04Å; D845-Y879 VanDerWaalsContact OD1-OH 3.08Å; E848-Y879 HydrophobicContact CB-CD1 4.25Å; E848-Y879 HydrophobicContact CB-CD2 3.93Å; E848-Y879 HydrophobicContact CB-CE1 3.95Å; E848-Y879 HydrophobicContact CB-CE2 3.54Å; E848-Y879 HydrophobicContact CB-CG 4.23Å; E848-Y879 VanDerWaalsContact CD-N 3.34Å; E848-Y879 HydrophobicContact CG-CD1 4.28Å; E848-Y879 HydrophobicContact CG-CE1 4.25Å; E848-Y879 HydrophobicContact CG-CG 4.47Å; E848-Y879 PolarHBondContact OE2-N 3.3Å; Y879-T881 PolarHBondContact O-N 2.7Å
880G89.3Confident92.1Very high70 Ų7049.3 Ų49.372%0.72230%0.295SS*.THydrogen-bonded Turntrans73-0.7-179.100000115.9S878S878-G880 PolarHBondContact O-N 3.22Å
881T89.9Confident92.1Very high82 Ų8254.1 Ų54.150%0.50332%0.318SS..EExtended strand (participates in β ladder)trans-102.1134-179.9-54.30000110.6K877 S878 Y879 V883K877-T881 CarbonylContact C-O 3.53Å; K877-T881 VanDerWaalsContact CA-O 3.24Å; K877-T881 WeakPolarHBondContact CA-O 3.43Å; S878-T881 PolarHBondContact N-O 3.16Å; S878-T881 WeakPolarHBondContact O-CB 3.31Å; S878-T881 PolarHBondContact O-N 2.83Å; Y879-T881 PolarHBondContact O-N 2.7Å; T881-V883 PolarHBondContact O-N 2.93Å
882E90Very high92.1Very high149 Ų14954.2 Ų54.270%0.69632%0.318SS*.EExtended strand (participates in β ladder)trans-65.3129.4171.9-72.9177.6-176.400111.2K877K877-E882 HydrophobicContact CD-CG 4.28Å; K877-E882 HydrophobicContact CG-CG 3.99Å; K877-E882 IonicContact NZ-OE1 3.92Å
883V88.8Confident92.1Very high31 Ų3155.3 Ų55.319%0.18833%0.325CS..  trans-137.1142.2-174.8-67.90000111.5G876 T881 W885 M886G876-V883 PolarHBondContact O-N 3.43Å; T881-V883 PolarHBondContact O-N 2.93Å; V883-W885 VanDerWaalsContact C-N 3.27Å; V883-W885 HydrophobicContact CB-CD2 4.09Å; V883-W885 HydrophobicContact CB-CG 4.32Å; V883-W885 HydrophobicContact CB-CZ2 3.98Å; V883-W885 HydrophobicContact CG1-CZ2 3.78Å; V883-W885 HydrophobicContact CG2-CD2 3.96Å; V883-W885 HydrophobicContact CG2-CE3 4.24Å; V883-W885 HydrophobicContact CG2-CH2 4.18Å; V883-W885 HydrophobicContact CG2-CZ2 3.83Å; V883-W885 HydrophobicContact CG2-CZ3 4.33Å; V883-W885 PolarHBondContact O-N 3.01Å; V883-M886 HydrophobicContact CG2-CB 3.58Å
884D86Confident92.3Very high105 Ų10555.3 Ų55.356%0.56134%0.335SS*.THydrogen-bonded Turntrans-79.4-8.2-178.565.1-17.4000114R870R870-D884 PolarHBondContact NH1-O 3.5Å
885W89.2Confident92.5Very high26 Ų2654.4 Ų54.410%0.09832%0.323CS..THydrogen-bonded Turntrans-105.5-3.3-174.754.3-102.6000114.7L810 P811 C850 R870 S878 V883 D887L810-W885 HydrophobicContact CB-CD2 4.09Å; L810-W885 HydrophobicContact CB-CE3 3.77Å; L810-W885 HydrophobicContact CB-CH2 4.09Å; L810-W885 HydrophobicContact CB-CZ2 4.45Å; L810-W885 HydrophobicContact CB-CZ3 3.79Å; L810-W885 HydrophobicContact CD1-CB 3.78Å; L810-W885 HydrophobicContact CD1-CD2 3.84Å; L810-W885 HydrophobicContact CD1-CE3 3.87Å; L810-W885 HydrophobicContact CD1-CG 3.82Å; L810-W885 HydrophobicContact CG-CE3 4.48Å; P811-W885 HydrophobicContact CB-CH2 4.11Å; P811-W885 HydrophobicContact CB-CZ2 3.87Å; C850-W885 HydrophobicContact CB-CE3 3.93Å; C850-W885 HydrophobicContact CB-CZ3 3.77Å; R870-W885 WeakPolarHBondContact CD-O 3.35Å; S878-W885 WeakPolarHBondContact OG-CH2 3.12Å; V883-W885 VanDerWaalsContact C-N 3.27Å; V883-W885 HydrophobicContact CB-CD2 4.09Å; V883-W885 HydrophobicContact CB-CG 4.32Å; V883-W885 HydrophobicContact CB-CZ2 3.98Å; V883-W885 HydrophobicContact CG1-CZ2 3.78Å; V883-W885 HydrophobicContact CG2-CD2 3.96Å; V883-W885 HydrophobicContact CG2-CE3 4.24Å; V883-W885 HydrophobicContact CG2-CH2 4.18Å; V883-W885 HydrophobicContact CG2-CZ2 3.83Å; V883-W885 HydrophobicContact CG2-CZ3 4.33Å; V883-W885 PolarHBondContact O-N 3.01Å; W885-D887 PolarHBondContact O-N 3.33Å
886M91.6Very high92.7Very high3 Ų350.7 Ų50.72%0.01530%0.3CS..  trans-92.754.7173.6-164.465.7152.400109.4M847 C850 F873 G874 T875 G876 V883M847-M886 WeakPolarHBondContact O-CE 3.4Å; C850-M886 HydrophobicContact CB-SD 3.9Å; F873-M886 HydrophobicContact CB-CE 4.07Å; G874-M886 CarbonylContact C-O 3.41Å; G874-M886 VanDerWaalsContact C-O 3.25Å; G874-M886 WeakPolarHBondContact CA-O 3.16Å; T875-M886 WeakPolarHBondContact OG1-CG 3.39Å; G876-M886 WeakPolarHBondContact CA-O 3.47Å; G876-M886 PolarHBondContact N-O 3.26Å; V883-M886 HydrophobicContact CG2-CB 3.58Å
887D92Very high93Very high65 Ų6553.1 Ų53.135%0.34830%0.303SS..  trans-115.936.1-169.968.2-43.1000112.8R870 W885R870-D887 WeakPolarHBondContact CD-OD1 3.38Å; R870-D887 IonicContact CZ-OD1 2.89Å; R870-D887 IonicContact NE-OD1 2.66Å; R870-D887 IonicContact NH1-OD1 2.68Å; R870-D887 PolarHBondContact NH1-OD1 2.82Å; R870-D887 IonicContact NH1-OD2 3.57Å; R870-D887 PolarHBondContact NH1-OD2 3.05Å; W885-D887 PolarHBondContact O-N 3.33Å
888S94.4Very high93.2Very high16 Ų1654 Ų5411%0.11231%0.307CS..  trans-60.3139.2178.3-59.60000112.2R870 G872 E892R870-S888 VanDerWaalsContact O-CB 3.29Å; R870-S888 WeakPolarHBondContact O-CB 3.12Å; R870-S888 PolarHBondContact O-OG 2.82Å; G872-S888 PolarHBondContact N-OG 2.9Å; G872-S888 VanDerWaalsContact N-OG 3.13Å; G872-S888 WeakPolarHBondContact O-CB 3.46Å; G872-S888 PolarHBondContact O-OG 2.74Å; S888-E892 VanDerWaalsContact CA-OE2 3.27Å; S888-E892 WeakPolarHBondContact CA-OE2 3.34Å
889T93.2Very high93.5Very high45 Ų4553.7 Ų53.728%0.27631%0.305SS..  trans-73.5166172.166.70000111E891 E892 V893T889-E891 PolarHBondContact O-N 3.12Å; T889-E892 PolarHBondContact N-OE2 2.91Å; T889-E892 PolarHBondContact O-N 2.79Å; T889-E892 VanDerWaalsContact O-N 3.09Å; T889-E892 WeakPolarHBondContact OG1-CG 3.46Å; T889-E892 PolarHBondContact OG1-N 3.06Å; T889-E892 PolarHBondContact OG1-OE2 3.03Å; T889-V893 VanDerWaalsContact O-CG2 3.3Å; T889-V893 WeakPolarHBondContact O-CG2 3.15Å; T889-V893 PolarHBondContact O-N 2.86Å
890S94.8Very high93.6Very high101 Ų10153.5 Ų53.571%0.70631%0.309SS*.Hα-helixtrans-56.2-36.2177.952.20000113.5A894S890-A894 VanDerWaalsContact O-CB 3.28Å; S890-A894 WeakPolarHBondContact O-CB 3.4Å; S890-A894 PolarHBondContact O-N 2.97Å
891E95.4Very high93.9Very high103 Ų10356.2 Ų56.248%0.48131%0.306SS..Hα-helixtrans-71.6-38.4177.3-62.9176.6-178.700112.2T889 L895 L911 P912T889-E891 PolarHBondContact O-N 3.12Å; E891-L895 PolarHBondContact O-N 3.36Å; E891-L895 VanDerWaalsContact O-N 3.1Å; E891-L911 HydrophobicContact CB-CD2 3.64Å; E891-P912 VanDerWaalsContact OE2-CD 3.29Å; E891-P912 WeakPolarHBondContact OE2-CD 3.42Å
892E97.1Very high94.1Very high1 Ų154.1 Ų54.11%0.00530%0.295CS..Hα-helixtrans-68.1-42.3175.7-70.2165.9161.200111.3L869 R870 I871 S888 T889 L895 W896 L911 R914L869-E892 WeakPolarHBondContact CD2-OE1 3.47Å; R870-E892 PolarHBondContact N-OE1 2.91Å; I871-E892 HydrophobicContact CG1-CG 4.43Å; I871-E892 WeakPolarHBondContact CG2-O 3.44Å; S888-E892 VanDerWaalsContact CA-OE2 3.27Å; S888-E892 WeakPolarHBondContact CA-OE2 3.34Å; T889-E892 PolarHBondContact N-OE2 2.91Å; T889-E892 PolarHBondContact O-N 2.79Å; T889-E892 VanDerWaalsContact O-N 3.09Å; T889-E892 WeakPolarHBondContact OG1-CG 3.46Å; T889-E892 PolarHBondContact OG1-N 3.06Å; T889-E892 PolarHBondContact OG1-OE2 3.03Å; E892-L895 PolarHBondContact O-N 3.14Å; E892-W896 PolarHBondContact O-N 2.75Å; E892-L911 HydrophobicContact CG-CD1 3.94Å; E892-L911 HydrophobicContact CG-CD2 4.47Å; E892-R914 IonicContact OE1-CZ 3.57Å; E892-R914 VanDerWaalsContact OE1-CZ 3.23Å; E892-R914 IonicContact OE1-NE 3.12Å; E892-R914 PolarHBondContact OE1-NE 3.04Å; E892-R914 IonicContact OE1-NH2 3.82Å; E892-R914 PolarHBondContact OE1-NH2 3.21Å; E892-R914 IonicContact OE2-CZ 3.5Å; E892-R914 IonicContact OE2-NE 2.75Å; E892-R914 IonicContact OE2-NH2 2.75Å; E892-R914 PolarHBondContact OE2-NH2 3.08Å
893V97.3Very high94.2Very high24 Ų2449.8 Ų49.815%0.14528%0.28CS..Hα-helixtrans-61.8-47.8174.31740000110.2G872 T889 L895 W896 E897G872-V893 WeakPolarHBondContact O-CG2 3.12Å; T889-V893 VanDerWaalsContact O-CG2 3.3Å; T889-V893 WeakPolarHBondContact O-CG2 3.15Å; T889-V893 PolarHBondContact O-N 2.86Å; V893-L895 VanDerWaalsContact C-N 3.27Å; V893-L895 PolarHBondContact O-N 3.01Å; V893-W896 PolarHBondContact O-N 3.01Å; V893-E897 HydrophobicContact CG1-CG 4.05Å; V893-E897 WeakPolarHBondContact CG1-OE1 3.32Å; V893-E897 WeakPolarHBondContact O-CB 3.28Å; V893-E897 WeakPolarHBondContact O-CG 3.43Å; V893-E897 PolarHBondContact O-N 3.34Å
894A97.4Very high94.4Very high53 Ų5353 Ų5344%0.43830%0.296SS..Hα-helixtrans-58.9-38.317900000112.4S890 K898S890-A894 VanDerWaalsContact O-CB 3.28Å; S890-A894 WeakPolarHBondContact O-CB 3.4Å; S890-A894 PolarHBondContact O-N 2.97Å; A894-K898 WeakPolarHBondContact O-CB 3.32Å; A894-K898 PolarHBondContact O-N 3.49Å
895L97.4Very high94.9Very high8 Ų851.5 Ų51.54%0.04229%0.291CS..Hα-helixtrans-65.3-44.7174.3178.362.9000111.8L763 L765 I871 E891 E892 V893 K898 M899 V907 A909 L911L763-L895 HydrophobicContact CD1-CD2 3.98Å; L763-L895 HydrophobicContact CG-CD2 4.45Å; L765-L895 HydrophobicContact CD1-CD2 3.97Å; L765-L895 HydrophobicContact CD1-CG 3.96Å; L765-L895 HydrophobicContact CG-CD2 4.26Å; L765-L895 HydrophobicContact CG-CG 4.43Å; I871-L895 HydrophobicContact CD1-CD2 4.18Å; I871-L895 HydrophobicContact CG2-CD2 4.23Å; I871-L895 HydrophobicContact CG2-CG 4.49Å; E891-L895 PolarHBondContact O-N 3.36Å; E891-L895 VanDerWaalsContact O-N 3.1Å; E892-L895 PolarHBondContact O-N 3.14Å; V893-L895 VanDerWaalsContact C-N 3.27Å; V893-L895 PolarHBondContact O-N 3.01Å; L895-K898 PolarHBondContact O-N 2.93Å; L895-M899 PolarHBondContact O-N 3.26Å; L895-M899 VanDerWaalsContact O-N 3.09Å; L895-V907 HydrophobicContact CD1-CB 4.19Å; L895-V907 HydrophobicContact CD1-CG2 3.91Å; L895-A909 HydrophobicContact CD1-CB 3.85Å; L895-A909 HydrophobicContact CD2-CB 4.03Å; L895-A909 HydrophobicContact CG-CB 4.34Å; L895-L911 HydrophobicContact CD2-CD1 3.72Å
896W97.3Very high95.3Very high1 Ų155 Ų550%0.00430%0.304CS..Hα-helixtrans-63.6-49.1178.7-168.1-105.3000111.8L765 L846 V851 I871 F873 E892 V893 K898 M899 V900L765-W896 HydrophobicContact CD1-CE3 3.98Å; L765-W896 HydrophobicContact CD1-CZ3 4.31Å; L846-W896 HydrophobicContact CD2-CZ2 4.26Å; L846-W896 PolarHBondContact O-NE1 2.84Å; V851-W896 HydrophobicContact CB-CZ3 4.39Å; V851-W896 HydrophobicContact CG2-CE3 4.44Å; V851-W896 HydrophobicContact CG2-CH2 3.8Å; V851-W896 HydrophobicContact CG2-CZ3 3.43Å; V851-W896 VanDerWaalsContact CG2-CZ3 3.43Å; I871-W896 HydrophobicContact CG2-CB 4.09Å; I871-W896 HydrophobicContact CG2-CE3 4Å; F873-W896 AromaticContact CD2-CD1 3.33Å; F873-W896 AromaticContact CD2-NE1 3.33Å; F873-W896 VanDerWaalsContact CD2-NE1 3.33Å; F873-W896 AromaticContact CE2-CD1 3.36Å; F873-W896 AromaticContact CE2-NE1 3.32Å; F873-W896 VanDerWaalsContact CE2-NE1 3.32Å; F873-W896 AromaticContact CG-CD1 3.91Å; F873-W896 AromaticContact CZ-CD1 3.98Å; E892-W896 PolarHBondContact O-N 2.75Å; V893-W896 PolarHBondContact O-N 3.01Å; W896-K898 VanDerWaalsContact C-N 3.32Å; W896-K898 PolarHBondContact O-N 3.09Å; W896-M899 HydrophobicContact CD2-CE 3.95Å; W896-M899 HydrophobicContact CE3-CE 3.75Å; W896-M899 HydrophobicContact CE3-SD 4.41Å; W896-M899 HydrophobicContact CH2-CE 3.76Å; W896-M899 HydrophobicContact CZ2-CE 3.95Å; W896-M899 HydrophobicContact CZ3-CE 3.64Å; W896-M899 HydrophobicContact CZ3-SD 4.22Å; W896-M899 WeakPolarHBondContact O-CB 3.26Å; W896-M899 PolarHBondContact O-N 3.37Å; W896-M899 VanDerWaalsContact O-N 3.12Å; W896-V900 WeakPolarHBondContact O-CG2 3.49Å; W896-V900 PolarHBondContact O-N 3.39Å
897E96.8Very high95.6Very high81 Ų8155 Ų5538%0.37931%0.305SS..Hα-helixtrans-58-44176.4-74.7-178.6170.800111.6F873 V893 M899 V900 N901F873-E897 HydrophobicContact CD1-CG 4.06Å; F873-E897 HydrophobicContact CE1-CG 3.65Å; F873-E897 HydrophobicContact CZ-CG 4.5Å; V893-E897 HydrophobicContact CG1-CG 4.05Å; V893-E897 WeakPolarHBondContact CG1-OE1 3.32Å; V893-E897 WeakPolarHBondContact O-CB 3.28Å; V893-E897 WeakPolarHBondContact O-CG 3.43Å; V893-E897 PolarHBondContact O-N 3.34Å; E897-M899 VanDerWaalsContact C-N 3.29Å; E897-M899 PolarHBondContact O-N 3.21Å; E897-V900 PolarHBondContact O-N 3.08Å; E897-N901 VanDerWaalsContact O-CB 3.31Å; E897-N901 WeakPolarHBondContact O-CB 3.2Å; E897-N901 PolarHBondContact O-N 3.39Å; E897-N901 PolarHBondContact O-ND2 2.8Å; E897-N901 VanDerWaalsContact O-ND2 3.16Å
898K96.8Very high95.8Very high120 Ų12056.1 Ų56.152%0.52231%0.308SS..Hα-helixtrans-61.5-38.4177.6-162.9-175.6176.8177.10111.8A894 L895 W896 S902 V907A894-K898 WeakPolarHBondContact O-CB 3.32Å; A894-K898 PolarHBondContact O-N 3.49Å; L895-K898 PolarHBondContact O-N 2.93Å; W896-K898 VanDerWaalsContact C-N 3.32Å; W896-K898 PolarHBondContact O-N 3.09Å; K898-S902 VanDerWaalsContact O-CB 3.24Å; K898-S902 WeakPolarHBondContact O-CB 3.26Å; K898-S902 PolarHBondContact O-N 2.86Å; K898-S902 VanDerWaalsContact O-N 3.08Å; K898-S902 PolarHBondContact O-OG 3.27Å; K898-S902 VanDerWaalsContact O-OG 3.04Å; K898-V907 HydrophobicContact CB-CG1 4.21Å; K898-V907 HydrophobicContact CD-CB 4.14Å; K898-V907 HydrophobicContact CD-CG1 3.87Å; K898-V907 HydrophobicContact CG-CB 4.29Å; K898-V907 HydrophobicContact CG-CG1 3.67Å
899M96.3Very high96Very high0 Ų056.6 Ų56.60%031%0.312CS..Hα-helixtrans-63.9-48.7175.1-176.4-160.765.500111.2L765 V783 L846 L895 W896 E897 N901 S902 V907L765-M899 HydrophobicContact CB-CB 4.26Å; L765-M899 HydrophobicContact CB-CG 3.94Å; L765-M899 HydrophobicContact CB-SD 3.64Å; L765-M899 HydrophobicContact CD1-SD 4.24Å; V783-M899 HydrophobicContact CG1-SD 4.15Å; L846-M899 HydrophobicContact CD2-CE 4.36Å; L895-M899 PolarHBondContact O-N 3.26Å; L895-M899 VanDerWaalsContact O-N 3.09Å; W896-M899 HydrophobicContact CD2-CE 3.95Å; W896-M899 HydrophobicContact CE3-CE 3.75Å; W896-M899 HydrophobicContact CE3-SD 4.41Å; W896-M899 HydrophobicContact CH2-CE 3.76Å; W896-M899 HydrophobicContact CZ2-CE 3.95Å; W896-M899 HydrophobicContact CZ3-CE 3.64Å; W896-M899 HydrophobicContact CZ3-SD 4.22Å; W896-M899 WeakPolarHBondContact O-CB 3.26Å; W896-M899 PolarHBondContact O-N 3.37Å; W896-M899 VanDerWaalsContact O-N 3.12Å; E897-M899 VanDerWaalsContact C-N 3.29Å; E897-M899 PolarHBondContact O-N 3.21Å; M899-N901 VanDerWaalsContact C-N 3.33Å; M899-N901 PolarHBondContact O-N 2.96Å; M899-S902 CarbonylContact O-C 3.55Å; M899-S902 PolarHBondContact O-N 3.03Å; M899-V907 HydrophobicContact CB-CG2 3.51Å; M899-V907 HydrophobicContact CG-CG2 4.15Å
900V94.5Very high96.2Very high40 Ų4057.3 Ų57.324%0.24232%0.317CS..Hα-helixtrans-63.2-41.2-179175.10000111L846 F873 W896 E897 S902L846-V900 HydrophobicContact CB-CG2 4.31Å; L846-V900 HydrophobicContact CD1-CG2 4.35Å; F873-V900 HydrophobicContact CE2-CG2 4.2Å; F873-V900 HydrophobicContact CZ-CG2 4.18Å; W896-V900 WeakPolarHBondContact O-CG2 3.49Å; W896-V900 PolarHBondContact O-N 3.39Å; E897-V900 PolarHBondContact O-N 3.08Å; V900-S902 VanDerWaalsContact C-N 3.31Å; V900-S902 PolarHBondContact O-N 2.75Å
901N94.8Very high96.3Very high126 Ų12652.7 Ų52.767%0.67428%0.284SS*.Hα-helixtrans-75.9-17.3-179.8-68.3-28.2000113.7E897 M899 P903E897-N901 VanDerWaalsContact O-CB 3.31Å; E897-N901 WeakPolarHBondContact O-CB 3.2Å; E897-N901 PolarHBondContact O-N 3.39Å; E897-N901 PolarHBondContact O-ND2 2.8Å; E897-N901 VanDerWaalsContact O-ND2 3.16Å; M899-N901 VanDerWaalsContact C-N 3.33Å; M899-N901 PolarHBondContact O-N 2.96Å; N901-P903 VanDerWaalsContact C-CD 3.44Å; N901-P903 WeakPolarHBondContact O-CD 3.05Å
902S94.2Very high96.3Very high39 Ų3950.3 Ų50.327%0.27328%0.278SS..SBendtrans-123.266.8-177.9-48.20000110.9K898 M899 V900 T905K898-S902 VanDerWaalsContact O-CB 3.24Å; K898-S902 WeakPolarHBondContact O-CB 3.26Å; K898-S902 PolarHBondContact O-N 2.86Å; K898-S902 VanDerWaalsContact O-N 3.08Å; K898-S902 PolarHBondContact O-OG 3.27Å; K898-S902 VanDerWaalsContact O-OG 3.04Å; M899-S902 CarbonylContact O-C 3.55Å; M899-S902 PolarHBondContact O-N 3.03Å; V900-S902 VanDerWaalsContact C-N 3.31Å; V900-S902 PolarHBondContact O-N 2.75Å; S902-T905 WeakPolarHBondContact O-CB 3.11Å; S902-T905 PolarHBondContact O-N 2.85Å
903P92.6Very high96.1Very high57 Ų5750.8 Ų50.837%0.3728%0.28SS..THydrogen-bonded Turntrans-58.2151.7178.326.1-34.5000111.1Y767 P769 N901 T905Y767-P903 HydrophobicContact CD1-CB 4.47Å; P769-P903 HydrophobicContact CG-CB 3.66Å; N901-P903 VanDerWaalsContact C-CD 3.44Å; N901-P903 WeakPolarHBondContact O-CD 3.05Å; P903-T905 PolarHBondContact O-N 3.19Å; P903-T905 PolarHBondContact O-OG1 3.47Å
904N93.1Very high95.8Very high98 Ų9852 Ų5252%0.52428%0.283SS..THydrogen-bonded Turntrans59.110.6-175.4-55.9-53.3000114.9Q766 Y767Q766-N904 VanDerWaalsContact NE2-C 3.3Å; Q766-N904 PolarHBondContact NE2-O 2.75Å; Y767-N904 PolarHBondContact O-N 2.88Å
905T96.9Very high95.1Very high75 Ų7555.1 Ų55.146%0.4629%0.289SS..SBendtrans-116.4134.2179.9-53.70000110.6S902 P903 V907S902-T905 WeakPolarHBondContact O-CB 3.11Å; S902-T905 PolarHBondContact O-N 2.85Å; P903-T905 PolarHBondContact O-N 3.19Å; P903-T905 PolarHBondContact O-OG1 3.47Å; T905-V907 PolarHBondContact O-N 3.48Å
906W97.6Very high94.3Very high99 Ų9955.3 Ų55.338%0.37529%0.29SS..  trans-73121.7170.7-74.298.9000110.2A764 L765 Q766 H784 W786 T835A764-W906 HydrophobicContact CB-CE3 3.65Å; A764-W906 HydrophobicContact CB-CZ3 4.24Å; A764-W906 WeakPolarHBondContact O-CZ3 3.42Å; L765-W906 WeakPolarHBondContact O-CA 3.35Å; Q766-W906 HydrophobicContact CB-CD2 3.77Å; Q766-W906 HydrophobicContact CB-CE3 3.74Å; Q766-W906 HydrophobicContact CB-CG 4.29Å; Q766-W906 HydrophobicContact CB-CH2 4.33Å; Q766-W906 HydrophobicContact CB-CZ2 4.33Å; Q766-W906 HydrophobicContact CB-CZ3 4.03Å; Q766-W906 VanDerWaalsContact OE1-CE2 3.28Å; H784-W906 HydrophobicContact CB-CH2 3.65Å; H784-W906 HydrophobicContact CB-CZ2 4.23Å; H784-W906 HydrophobicContact CB-CZ3 4.21Å; W786-W906 HydrophobicContact CB-CE3 4.36Å; W786-W906 HydrophobicContact CB-CH2 3.84Å; W786-W906 HydrophobicContact CB-CZ3 3.54Å; T835-W906 HydrophobicContact CG2-CH2 4.05Å
907V97.6Very high92.9Very high4 Ų462.2 Ų62.22%0.02433%0.327CS..EExtended strand (participates in β ladder)trans-107.7118.9172.1-66.90000109.3A764 L765 L895 K898 M899 T905A764-V907 CarbonylContact C-O 3.51Å; A764-V907 WeakPolarHBondContact CA-O 3.07Å; L765-V907 HydrophobicContact CB-CG2 4.04Å; L765-V907 PolarHBondContact N-O 2.93Å; L765-V907 VanDerWaalsContact O-CG2 3.29Å; L765-V907 WeakPolarHBondContact O-CG2 3.26Å; L765-V907 PolarHBondContact O-N 2.79Å; L895-V907 HydrophobicContact CD1-CB 4.19Å; L895-V907 HydrophobicContact CD1-CG2 3.91Å; K898-V907 HydrophobicContact CB-CG1 4.21Å; K898-V907 HydrophobicContact CD-CB 4.14Å; K898-V907 HydrophobicContact CD-CG1 3.87Å; K898-V907 HydrophobicContact CG-CB 4.29Å; K898-V907 HydrophobicContact CG-CG1 3.67Å; M899-V907 HydrophobicContact CB-CG2 3.51Å; M899-V907 HydrophobicContact CG-CG2 4.15Å; T905-V907 PolarHBondContact O-N 3.48Å
908E97.5Very high91.2Very high87 Ų8762.1 Ų62.141%0.40733%0.328SS..EExtended strand (participates in β ladder)trans-106.6142.1-175.6178.8168.9-168.500111.4K762 L763 A764 K788K762-E908 WeakPolarHBondContact CE-OE1 3.31Å; K762-E908 IonicContact NZ-OE1 2.93Å; L763-E908 WeakPolarHBondContact O-CA 3.15Å; A764-E908 HydrophobicContact CB-CB 4.09Å; K788-E908 WeakPolarHBondContact CD-OE1 3.43Å; K788-E908 WeakPolarHBondContact CE-OE1 3.38Å; K788-E908 IonicContact NZ-OE1 3.85Å; K788-E908 PolarHBondContact NZ-OE1 3.06Å; K788-E908 IonicContact NZ-OE2 3.76Å; K788-E908 PolarHBondContact NZ-OE2 3.23Å
909A97.4Very high88.9Confident26 Ų2657.7 Ų57.722%0.21531%0.314CS..EExtended strand (participates in β ladder)trans-150.1159.6169.900000111.8K762 L763 L895 L911K762-A909 WeakPolarHBondContact CA-O 3.41Å; L763-A909 PolarHBondContact N-O 3.37Å; L763-A909 PolarHBondContact O-N 2.64Å; L763-A909 VanDerWaalsContact O-O 3.14Å; L895-A909 HydrophobicContact CD1-CB 3.85Å; L895-A909 HydrophobicContact CD2-CB 4.03Å; L895-A909 HydrophobicContact CG-CB 4.34Å; A909-L911 HydrophobicContact CB-CD2 4.44Å; A909-L911 HydrophobicContact CB-CG 4.31Å
910T97.6Very high86.1Confident61 Ų6166.7 Ų66.737%0.37435%0.353SS..EExtended strand (participates in β ladder)trans-108.5120.8166.2-580000107.4E760 M761E760-T910 HydrophobicContact CB-CG2 3.77Å; E760-T910 HydrophobicContact CG-CG2 4.46Å; E760-T910 WeakPolarHBondContact OE2-CG2 3.22Å; M761-T910 WeakPolarHBondContact O-CA 3.48Å
911L96.8Very high83.5Confident3 Ų369.4 Ų69.42%0.01637%0.366CS..EExtended strand (participates in β ladder)trans-121.3137.8-174.2-64.9173.7000110.9E760 M761 L763 L869 I871 E891 E892 L895 A909E760-L911 CarbonylContact C-O 3.56Å; E760-L911 WeakPolarHBondContact CA-O 3.28Å; M761-L911 PolarHBondContact N-O 3.33Å; M761-L911 PolarHBondContact O-N 2.86Å; L763-L911 HydrophobicContact CD2-CD1 4.38Å; L869-L911 HydrophobicContact CD1-CB 3.78Å; L869-L911 HydrophobicContact CD1-CD1 4.04Å; L869-L911 HydrophobicContact CD2-CB 3.83Å; L869-L911 HydrophobicContact CG-CB 4.47Å; I871-L911 HydrophobicContact CD1-CD1 4.03Å; I871-L911 HydrophobicContact CG1-CD1 4.31Å; E891-L911 HydrophobicContact CB-CD2 3.64Å; E892-L911 HydrophobicContact CG-CD1 3.94Å; E892-L911 HydrophobicContact CG-CD2 4.47Å; L895-L911 HydrophobicContact CD2-CD1 3.72Å; A909-L911 HydrophobicContact CB-CD2 4.44Å; A909-L911 HydrophobicContact CB-CG 4.31Å
912P95Very high80.2Confident54 Ų5468.4 Ų68.435%0.35137%0.368SS..EExtended strand (participates in β ladder)trans-71.1132.7179.228.7-34000111.3L869 E891L869-P912 WeakPolarHBondContact CD2-O 3.47Å; E891-P912 VanDerWaalsContact OE2-CD 3.29Å; E891-P912 WeakPolarHBondContact OE2-CD 3.42Å
913L94Very high77.1Confident10 Ų1076.5 Ų76.55%0.05240%0.399CS..  trans-71.3138.8179.4-68.6171.2000111.3R758 G759 M761 L793 V855 L869R758-L913 HydrophobicContact CB-CB 3.78Å; R758-L913 WeakPolarHBondContact CB-O 3.13Å; R758-L913 WeakPolarHBondContact O-CD1 3.25Å; G759-L913 VanDerWaalsContact O-CB 3.32Å; G759-L913 WeakPolarHBondContact O-CB 3.21Å; G759-L913 PolarHBondContact O-N 2.93Å; M761-L913 HydrophobicContact CB-CD2 4.03Å; M761-L913 HydrophobicContact CB-CG 4.45Å; M761-L913 HydrophobicContact CE-CD2 4.22Å; L793-L913 HydrophobicContact CD2-CD1 3.41Å; L793-L913 VanDerWaalsContact CD2-CD1 3.41Å; V855-L913 HydrophobicContact CG2-CD1 3.93Å; V855-L913 HydrophobicContact CG2-CD2 3.84Å; L869-L913 HydrophobicContact CD2-CD2 4.33Å; L869-L913 HydrophobicContact CG-CD2 4.06Å
914R89.6Confident76.3Confident51 Ų5177.5 Ų77.519%0.19240%0.4CS..BIsolated β-bridgetrans-118.5159.5-176.5-58-178.7-65.7107.5-4.7112.6G867 G868 E892 L916G867-R914 CarbonylContact C-O 3.49Å; G867-R914 WeakPolarHBondContact CA-O 3.32Å; G868-R914 PolarHBondContact N-O 2.81Å; G868-R914 PolarHBondContact O-N 3.11Å; E892-R914 IonicContact OE1-CZ 3.57Å; E892-R914 VanDerWaalsContact OE1-CZ 3.23Å; E892-R914 IonicContact OE1-NE 3.12Å; E892-R914 PolarHBondContact OE1-NE 3.04Å; E892-R914 IonicContact OE1-NH2 3.82Å; E892-R914 PolarHBondContact OE1-NH2 3.21Å; E892-R914 IonicContact OE2-CZ 3.5Å; E892-R914 IonicContact OE2-NE 2.75Å; E892-R914 IonicContact OE2-NH2 2.75Å; E892-R914 PolarHBondContact OE2-NH2 3.08Å; R914-L916 VanDerWaalsContact C-N 3.31Å; R914-L916 HydrophobicContact CB-CD2 4.23Å; R914-L916 PolarHBondContact O-N 3.03Å
915M82.6Confident75.4Confident118 Ų11876.4 Ų76.458%0.58139%0.393SS*.  trans-8564.6-177.1-178.249.417800111.7R758 F865 L917R758-M915 PolarHBondContact NH1-SD 3.12Å; R758-M915 PolarHBondContact NH2-SD 3.46Å; F865-M915 HydrophobicContact CD1-SD 4.26Å; F865-M915 HydrophobicContact CE1-SD 4.05Å; M915-L917 PolarHBondContact O-N 2.72Å
916L81.4Confident74.3Confident12 Ų1276.5 Ų76.56%0.06339%0.39CS..  trans-59.3134.4-170.3-57.6-178.5000113.4E852 T854 F865 R870 R914 I918E852-L916 HydrophobicContact CG-CD1 4.38Å; T854-L916 HydrophobicContact CG2-CD1 4.4Å; F865-L916 HydrophobicContact CZ-CB 4.2Å; R870-L916 HydrophobicContact CG-CD1 3.96Å; R870-L916 HydrophobicContact CG-CD2 4.3Å; R914-L916 VanDerWaalsContact C-N 3.31Å; R914-L916 HydrophobicContact CB-CD2 4.23Å; R914-L916 PolarHBondContact O-N 3.03Å; L916-I918 VanDerWaalsContact C-N 3.32Å; L916-I918 PolarHBondContact O-N 3.27Å
917L67.1Low72.9Confident146 Ų14675.2 Ų75.276%0.76439%0.391SS*.  trans-70.792.4160-81.3158000107.5R870 M915 A919R870-L917 PolarHBondContact NH2-O 2.79Å; M915-L917 PolarHBondContact O-N 2.72Å; L917-A919 PolarHBondContact O-N 3.29Å
918I62.3Low71.3Confident78 Ų7879.6 Ų79.640%0.441%0.414SS..  trans-50.7118.6177.5-58.3173.6000107.8W856 F865 L916 K920W856-I918 HydrophobicContact CH2-CD1 3.74Å; W856-I918 HydrophobicContact CZ2-CD1 3.85Å; F865-I918 HydrophobicContact CD2-CD1 4.44Å; L916-I918 VanDerWaalsContact C-N 3.32Å; L916-I918 PolarHBondContact O-N 3.27Å; I918-K920 PolarHBondContact O-N 3.05Å
919A47.4Very low69.6Low28 Ų2879.1 Ų79.123%0.23141%0.414CS..  trans-49.8107.4-171.900000109.5L917 L921L917-A919 PolarHBondContact O-N 3.29Å; A919-L921 PolarHBondContact O-N 2.97Å
920K38.6Very low67.6Low189 Ų18982.9 Ų82.982%0.82243%0.428SS*.  trans-74.2118.4177.3-85.3179.1176.8160.60106.6I918 S922I918-K920 PolarHBondContact O-N 3.05Å; K920-S922 PolarHBondContact O-N 2.82Å
921L38.7Very low65.3Low97 Ų9784.6 Ų84.651%0.50843%0.432SS..  trans-58.598.2171.6-69.7156000109.2T813 A919 K923T813-L921 HydrophobicContact CG2-CD2 4.24Å; A919-L921 PolarHBondContact O-N 2.97Å; L921-K923 PolarHBondContact O-N 3.43Å
922S27.1Very low62.7Low104 Ų10491.4 Ų91.473%0.72747%0.467SS*.  trans-68.4106.1146.5590000105.1K920K920-S922 PolarHBondContact O-N 2.82Å
923K28.4Very low59.7Low210 Ų21094.8 Ų94.891%0.91348%0.478SS*.  trans-76.50170.2-110.2-178178.7179.30109.4L921L921-K923 PolarHBondContact O-N 3.43Å

Retrieved 923 of 923 residues in 1608.5 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).