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Isoform 11 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 Q99N50-11 (canonical: Q99N50), Species MOUSE (Mus musculus, Mouse), Gene Sytl2, Length 894 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M66.8Low82.9Confident156 Ų15696.1 Ų96.177%0.76849%0.486SS*.  0139.60-173160.355.100107.1S75M1-S75 WeakPolarHBondContact CG-OG 2.92Å
2I79.5Confident83.4Confident82 Ų8290.3 Ų90.342%0.42146%0.456SS..  trans-89.7131.9-177.1-62.6168000107.9L4 I71 I72 S75I2-L4 HydrophobicContact CG2-CD2 3.7Å; I2-L4 HydrophobicContact CG2-CG 4.04Å; I2-I71 HydrophobicContact CB-CG2 4.45Å; I2-I71 HydrophobicContact CD1-CG2 3.75Å; I2-I71 HydrophobicContact CG1-CG2 3.82Å; I2-I72 HydrophobicContact CD1-CD1 3.79Å; I2-S75 PolarHBondContact N-OG 3.44Å; I2-S75 VanDerWaalsContact O-CB 3.29Å; I2-S75 WeakPolarHBondContact O-CB 3.31Å; I2-S75 PolarHBondContact O-OG 3.1Å
3D81.6Confident83.9Confident104 Ų10488.5 Ų88.556%0.55645%0.448SS*.  trans-73.8130168.2-173.18.4000109.2S5 F6D3-S5 VanDerWaalsContact CG-OG 3.31Å; D3-S5 WeakPolarHBondContact OD1-CB 3.28Å; D3-S5 PolarHBondContact OD1-N 3.04Å; D3-S5 PolarHBondContact OD1-OG 2.97Å; D3-S5 PolarHBondContact OD2-OG 2.96Å; D3-F6 WeakPolarHBondContact O-CE1 3.12Å
4L83Confident84.5Confident21 Ų2185.9 Ų85.911%0.1145%0.447CS..  trans-134.615.9-179.6-62.1179.4000110.9I2 F6 L7 Q12 I72 M76I2-L4 HydrophobicContact CG2-CD2 3.7Å; I2-L4 HydrophobicContact CG2-CG 4.04Å; L4-F6 VanDerWaalsContact C-N 3.29Å; L4-F6 PolarHBondContact O-N 3.31Å; L4-L7 HydrophobicContact CB-CD1 3.99Å; L4-L7 HydrophobicContact CD2-CD1 4.07Å; L4-L7 HydrophobicContact CG-CD1 4.46Å; L4-L7 PolarHBondContact O-N 3.24Å; L4-Q12 PolarHBondContact O-NE2 3.18Å; L4-I72 HydrophobicContact CD1-CD1 3.99Å; L4-I72 HydrophobicContact CD1-CG2 3.93Å; L4-I72 HydrophobicContact CD2-CD1 4.49Å; L4-M76 HydrophobicContact CD1-CG 4.05Å
5S78.2Confident85Confident79 Ų7983.9 Ų83.955%0.55244%0.436SS*.THydrogen-bonded Turntrans-60.8-36.4-17955.90000112.9D3 L7D3-S5 VanDerWaalsContact CG-OG 3.31Å; D3-S5 WeakPolarHBondContact OD1-CB 3.28Å; D3-S5 PolarHBondContact OD1-N 3.04Å; D3-S5 PolarHBondContact OD1-OG 2.97Å; D3-S5 PolarHBondContact OD2-OG 2.96Å; S5-L7 VanDerWaalsContact C-N 3.26Å; S5-L7 PolarHBondContact O-N 3.07Å
6F85.5Confident85.3Confident141 Ų14183.1 Ų83.162%0.61843%0.433SS*.THydrogen-bonded Turntrans-72.7-7.4-177.557-99.7000115.3D3 L4D3-F6 WeakPolarHBondContact O-CE1 3.12Å; L4-F6 VanDerWaalsContact C-N 3.29Å; L4-F6 PolarHBondContact O-N 3.31Å
7L84.1Confident85.7Confident20 Ų2083.5 Ų83.511%0.10543%0.43CS..  trans-77.3139.3-179.3-62.6175.2000111.9L4 S5 E11 Q12 I15 K79L4-L7 HydrophobicContact CB-CD1 3.99Å; L4-L7 HydrophobicContact CD2-CD1 4.07Å; L4-L7 HydrophobicContact CG-CD1 4.46Å; L4-L7 PolarHBondContact O-N 3.24Å; S5-L7 VanDerWaalsContact C-N 3.26Å; S5-L7 PolarHBondContact O-N 3.07Å; L7-E11 VanDerWaalsContact CA-OE2 3.32Å; L7-E11 WeakPolarHBondContact CA-OE2 3.02Å; L7-E11 HydrophobicContact CB-CB 4.21Å; L7-E11 HydrophobicContact CD2-CB 4.21Å; L7-E11 WeakPolarHBondContact CD2-OE2 3.32Å; L7-Q12 HydrophobicContact CB-CG 3.59Å; L7-Q12 HydrophobicContact CD1-CG 3.85Å; L7-Q12 HydrophobicContact CG-CG 4.42Å; L7-I15 HydrophobicContact CD1-CD1 3.58Å; L7-I15 HydrophobicContact CD2-CD1 4.47Å; L7-K79 PolarHBondContact O-NZ 3.36Å; L7-K79 VanDerWaalsContact O-NZ 3.12Å
8T87.2Confident86.2Confident64 Ų6484.1 Ų84.139%0.39344%0.438SS..  trans-67.9170.1171.582.60000111.6E10 E11 Q12T8-E10 WeakPolarHBondContact CB-OE2 3.46Å; T8-E10 PolarHBondContact OG1-N 3.18Å; T8-E10 PolarHBondContact OG1-OE2 2.98Å; T8-E11 PolarHBondContact N-OE2 2.97Å; T8-E11 WeakPolarHBondContact OG1-CG 3.43Å; T8-E11 PolarHBondContact OG1-N 2.92Å; T8-Q12 WeakPolarHBondContact O-CB 3.47Å; T8-Q12 VanDerWaalsContact O-CG 3.29Å; T8-Q12 WeakPolarHBondContact O-CG 3.43Å; T8-Q12 PolarHBondContact O-N 2.97Å
9E86.1Confident86.5Confident159 Ų15980.6 Ų80.674%0.74342%0.42SS*.Hα-helixtrans-68.2-37.6178.4-174.2159.4-162.800111.7Q12 D13E9-Q12 PolarHBondContact O-N 2.97Å; E9-D13 WeakPolarHBondContact O-CB 3.28Å; E9-D13 PolarHBondContact O-N 3Å
10E88.6Confident86.8Confident140 Ų14082.4 Ų82.465%0.65443%0.426SS*.Hα-helixtrans-66.5-40.7176.2-4883.1172.700111.7T8 Q12 A14T8-E10 WeakPolarHBondContact CB-OE2 3.46Å; T8-E10 PolarHBondContact OG1-N 3.18Å; T8-E10 PolarHBondContact OG1-OE2 2.98Å; E10-Q12 VanDerWaalsContact C-N 3.32Å; E10-A14 VanDerWaalsContact O-CB 3.25Å; E10-A14 WeakPolarHBondContact O-CB 3.3Å; E10-A14 PolarHBondContact O-N 2.92Å
11E90.8Very high87.1Confident91 Ų9186.1 Ų86.143%0.42543%0.434SS..Hα-helixtrans-63.5-39.2173.3-71.7-177.313600111.6L7 T8 I15L7-E11 VanDerWaalsContact CA-OE2 3.32Å; L7-E11 WeakPolarHBondContact CA-OE2 3.02Å; L7-E11 HydrophobicContact CB-CB 4.21Å; L7-E11 HydrophobicContact CD2-CB 4.21Å; L7-E11 WeakPolarHBondContact CD2-OE2 3.32Å; T8-E11 PolarHBondContact N-OE2 2.97Å; T8-E11 WeakPolarHBondContact OG1-CG 3.43Å; T8-E11 PolarHBondContact OG1-N 2.92Å; E11-I15 WeakPolarHBondContact O-CB 3.48Å; E11-I15 WeakPolarHBondContact O-CD1 3.49Å; E11-I15 VanDerWaalsContact O-CG1 3.28Å; E11-I15 WeakPolarHBondContact O-CG1 3.47Å; E11-I15 PolarHBondContact O-N 2.91Å
12Q89.3Confident88.3Confident26 Ų2682.6 Ų82.612%0.12142%0.419CS..Hα-helixtrans-71.8-41.9179-74.6-179.1-1400112.5L4 L7 T8 E9 E10 I15 L16 M76 K79L4-Q12 PolarHBondContact O-NE2 3.18Å; L7-Q12 HydrophobicContact CB-CG 3.59Å; L7-Q12 HydrophobicContact CD1-CG 3.85Å; L7-Q12 HydrophobicContact CG-CG 4.42Å; T8-Q12 WeakPolarHBondContact O-CB 3.47Å; T8-Q12 VanDerWaalsContact O-CG 3.29Å; T8-Q12 WeakPolarHBondContact O-CG 3.43Å; T8-Q12 PolarHBondContact O-N 2.97Å; E9-Q12 PolarHBondContact O-N 2.97Å; E10-Q12 VanDerWaalsContact C-N 3.32Å; Q12-I15 PolarHBondContact O-N 2.85Å; Q12-L16 WeakPolarHBondContact O-CB 3.23Å; Q12-L16 PolarHBondContact O-N 3.23Å; Q12-M76 HydrophobicContact CB-CE 3.9Å; Q12-M76 HydrophobicContact CG-CE 4.31Å; Q12-M76 WeakPolarHBondContact O-CE 3.38Å; Q12-K79 VanDerWaalsContact CD-NZ 3.32Å; Q12-K79 VanDerWaalsContact NE2-CD 3.3Å; Q12-K79 VanDerWaalsContact OE1-CD 3.24Å
13D89.8Confident88.9Confident67 Ų6780.1 Ų80.136%0.35841%0.41SS..Hα-helixtrans-63.3-41.9172.2169.765.5000111.6E9 I15 L16 K17E9-D13 WeakPolarHBondContact O-CB 3.28Å; E9-D13 PolarHBondContact O-N 3Å; D13-I15 VanDerWaalsContact C-N 3.33Å; D13-I15 PolarHBondContact O-N 3.36Å; D13-L16 PolarHBondContact O-N 3.17Å; D13-K17 VanDerWaalsContact CG-NZ 3.33Å; D13-K17 WeakPolarHBondContact O-CB 3.41Å; D13-K17 WeakPolarHBondContact O-CG 3.42Å; D13-K17 PolarHBondContact O-N 3.47Å; D13-K17 WeakPolarHBondContact OD1-CD 3.23Å; D13-K17 WeakPolarHBondContact OD1-CE 3.2Å; D13-K17 IonicContact OD1-NZ 3.53Å; D13-K17 PolarHBondContact OD1-NZ 2.83Å; D13-K17 WeakPolarHBondContact OD2-CD 3.28Å; D13-K17 VanDerWaalsContact OD2-CE 3.22Å; D13-K17 WeakPolarHBondContact OD2-CE 3.16Å; D13-K17 IonicContact OD2-NZ 2.75Å; D13-K17 PolarHBondContact OD2-NZ 3.47Å
14A92.7Very high89.4Confident53 Ų5377.2 Ų77.244%0.43840%0.401SS..Hα-helixtrans-58.3-44.4173.800000112E10 K17 V18E10-A14 VanDerWaalsContact O-CB 3.25Å; E10-A14 WeakPolarHBondContact O-CB 3.3Å; E10-A14 PolarHBondContact O-N 2.92Å; A14-K17 PolarHBondContact O-N 3.19Å; A14-V18 WeakPolarHBondContact O-CG2 3.42Å; A14-V18 PolarHBondContact O-N 2.84Å
15I91.2Very high89.9Confident55 Ų5582.1 Ų82.128%0.28243%0.427SS..Hα-helixtrans-65.7-41.4175.2-72163.3000111.4L7 E11 Q12 D13 K17 V18 L19 I72 M76L7-I15 HydrophobicContact CD1-CD1 3.58Å; L7-I15 HydrophobicContact CD2-CD1 4.47Å; E11-I15 WeakPolarHBondContact O-CB 3.48Å; E11-I15 WeakPolarHBondContact O-CD1 3.49Å; E11-I15 VanDerWaalsContact O-CG1 3.28Å; E11-I15 WeakPolarHBondContact O-CG1 3.47Å; E11-I15 PolarHBondContact O-N 2.91Å; Q12-I15 PolarHBondContact O-N 2.85Å; D13-I15 VanDerWaalsContact C-N 3.33Å; D13-I15 PolarHBondContact O-N 3.36Å; I15-K17 PolarHBondContact O-N 3.22Å; I15-V18 PolarHBondContact O-N 3.33Å; I15-V18 VanDerWaalsContact O-N 3.17Å; I15-L19 HydrophobicContact CG2-CD1 3.87Å; I15-L19 HydrophobicContact CG2-CG 4.46Å; I15-L19 WeakPolarHBondContact O-CG 3.22Å; I15-L19 PolarHBondContact O-N 3.47Å; I15-I72 HydrophobicContact CG2-CG2 3.73Å; I15-M76 HydrophobicContact CG2-CE 4.38Å; I15-M76 HydrophobicContact CG2-SD 3.75Å
16L90.5Very high90.5Very high72 Ų7282.8 Ų82.838%0.37742%0.42SS..Hα-helixtrans-63.4-42.7177.5-171.361.1000111.6Q12 D13 V18 L19 Q20 M76Q12-L16 WeakPolarHBondContact O-CB 3.23Å; Q12-L16 PolarHBondContact O-N 3.23Å; D13-L16 PolarHBondContact O-N 3.17Å; L16-V18 VanDerWaalsContact C-N 3.27Å; L16-V18 PolarHBondContact O-N 2.85Å; L16-L19 PolarHBondContact O-N 2.72Å; L16-Q20 WeakPolarHBondContact O-CG 3.45Å; L16-Q20 PolarHBondContact O-N 3.43Å; L16-M76 HydrophobicContact CB-CE 4.17Å
17K92.6Very high90.7Very high90 Ų9083.6 Ų83.639%0.39142%0.419SS..Hα-helixtrans-65.7-25.2174.3-74.9171.2174161.80113.1D13 A14 I15 R21D13-K17 VanDerWaalsContact CG-NZ 3.33Å; D13-K17 WeakPolarHBondContact O-CB 3.41Å; D13-K17 WeakPolarHBondContact O-CG 3.42Å; D13-K17 PolarHBondContact O-N 3.47Å; D13-K17 WeakPolarHBondContact OD1-CD 3.23Å; D13-K17 WeakPolarHBondContact OD1-CE 3.2Å; D13-K17 IonicContact OD1-NZ 3.53Å; D13-K17 PolarHBondContact OD1-NZ 2.83Å; D13-K17 WeakPolarHBondContact OD2-CD 3.28Å; D13-K17 VanDerWaalsContact OD2-CE 3.22Å; D13-K17 WeakPolarHBondContact OD2-CE 3.16Å; D13-K17 IonicContact OD2-NZ 2.75Å; D13-K17 PolarHBondContact OD2-NZ 3.47Å; A14-K17 PolarHBondContact O-N 3.19Å; I15-K17 PolarHBondContact O-N 3.22Å; K17-R21 VanDerWaalsContact O-CG 3.3Å; K17-R21 WeakPolarHBondContact O-CG 3.36Å; K17-R21 PolarHBondContact O-N 3.24Å; K17-R21 PolarHBondContact O-NH1 2.96Å
18V94.4Very high91.1Very high93 Ų9385.5 Ų85.556%0.56444%0.437SS*.Hα-helixtrans-74.6-46.8168.6169.30000110.5A14 I15 L16 Q20 R21 D22A14-V18 WeakPolarHBondContact O-CG2 3.42Å; A14-V18 PolarHBondContact O-N 2.84Å; I15-V18 PolarHBondContact O-N 3.33Å; I15-V18 VanDerWaalsContact O-N 3.17Å; L16-V18 VanDerWaalsContact C-N 3.27Å; L16-V18 PolarHBondContact O-N 2.85Å; V18-Q20 VanDerWaalsContact C-N 3.31Å; V18-Q20 PolarHBondContact O-N 3.47Å; V18-R21 PolarHBondContact O-N 3.26Å; V18-R21 VanDerWaalsContact O-N 3.16Å; V18-D22 WeakPolarHBondContact O-CB 3.43Å; V18-D22 PolarHBondContact O-N 3.47Å
19L92.6Very high91.2Very high18 Ų1886.3 Ų86.39%0.09444%0.436CS..Hα-helixtrans-63.1-33.8179-68.2163.2000113.1I15 L16 A23 A69 I72 R73 M76I15-L19 HydrophobicContact CG2-CD1 3.87Å; I15-L19 HydrophobicContact CG2-CG 4.46Å; I15-L19 WeakPolarHBondContact O-CG 3.22Å; I15-L19 PolarHBondContact O-N 3.47Å; L16-L19 PolarHBondContact O-N 2.72Å; L19-A23 WeakPolarHBondContact O-CB 3.32Å; L19-A23 PolarHBondContact O-N 3.06Å; L19-A69 HydrophobicContact CD2-CB 3.68Å; L19-I72 HydrophobicContact CD1-CB 4.35Å; L19-I72 HydrophobicContact CD1-CG2 3.77Å; L19-R73 HydrophobicContact CD1-CG 4Å; L19-M76 HydrophobicContact CD1-SD 4.05Å
20Q91.3Very high91.4Very high117 Ų11783.4 Ų83.455%0.54742%0.423SS..Hα-helixtrans-66.8-43.1172.9-75.4173-12.800112L16 V18 A23 A24L16-Q20 WeakPolarHBondContact O-CG 3.45Å; L16-Q20 PolarHBondContact O-N 3.43Å; V18-Q20 VanDerWaalsContact C-N 3.31Å; V18-Q20 PolarHBondContact O-N 3.47Å; Q20-A23 PolarHBondContact O-N 2.93Å; Q20-A24 PolarHBondContact O-N 3.05Å
21R93.6Very high91.5Very high160 Ų16081.4 Ų81.460%0.60441%0.414SS*.Hα-helixtrans-66.6-41.8176-72.3178.8-173.7107.4-9.6111.9K17 V18 A23 A24 L25K17-R21 VanDerWaalsContact O-CG 3.3Å; K17-R21 WeakPolarHBondContact O-CG 3.36Å; K17-R21 PolarHBondContact O-N 3.24Å; K17-R21 PolarHBondContact O-NH1 2.96Å; V18-R21 PolarHBondContact O-N 3.26Å; V18-R21 VanDerWaalsContact O-N 3.16Å; R21-A23 PolarHBondContact O-N 2.92Å; R21-A24 PolarHBondContact O-N 2.82Å; R21-L25 WeakPolarHBondContact O-CB 3.29Å; R21-L25 WeakPolarHBondContact O-CG 3.13Å; R21-L25 PolarHBondContact O-N 2.75Å
22D92.5Very high91.6Very high82 Ų8281.6 Ų81.644%0.43941%0.41SS..Hα-helixtrans-59-45.4173.6-173.165.2000111.2V18 A24 L25 K26V18-D22 WeakPolarHBondContact O-CB 3.43Å; V18-D22 PolarHBondContact O-N 3.47Å; D22-A24 VanDerWaalsContact C-N 3.32Å; D22-A24 PolarHBondContact O-N 2.62Å; D22-L25 PolarHBondContact O-N 2.98Å; D22-K26 VanDerWaalsContact O-CB 3.27Å; D22-K26 WeakPolarHBondContact O-CB 3.31Å; D22-K26 PolarHBondContact O-N 3.3Å
23A91.1Very high91.5Very high30 Ų3082.5 Ų82.525%0.24842%0.417CS..Hα-helixtrans-67.4-26175.800000114.4L19 Q20 R21 R27L19-A23 WeakPolarHBondContact O-CB 3.32Å; L19-A23 PolarHBondContact O-N 3.06Å; Q20-A23 PolarHBondContact O-N 2.93Å; R21-A23 PolarHBondContact O-N 2.92Å; A23-R27 PolarHBondContact O-N 3.33Å; A23-R27 PolarHBondContact O-NE 3.44Å
24A93Very high91.4Very high43 Ų4386.2 Ų86.236%0.35543%0.426SS..Hα-helixtrans-77.6-45.7173.100000111.7Q20 R21 D22 K26 R27 A28Q20-A24 PolarHBondContact O-N 3.05Å; R21-A24 PolarHBondContact O-N 2.82Å; D22-A24 VanDerWaalsContact C-N 3.32Å; D22-A24 PolarHBondContact O-N 2.62Å; A24-K26 VanDerWaalsContact C-N 3.32Å; A24-K26 PolarHBondContact O-N 3.08Å; A24-R27 PolarHBondContact O-N 3.44Å; A24-A28 PolarHBondContact O-N 3.4Å
25L92.5Very high91.2Very high125 Ų12586.7 Ų86.765%0.65442%0.419SS*.Hα-helixtrans-59.6-42.3173.9-73.3168.8000111.5R21 D22 R27 A28 E29R21-L25 WeakPolarHBondContact O-CB 3.29Å; R21-L25 WeakPolarHBondContact O-CG 3.13Å; R21-L25 PolarHBondContact O-N 2.75Å; D22-L25 PolarHBondContact O-N 2.98Å; L25-R27 PolarHBondContact O-N 2.65Å; L25-A28 PolarHBondContact O-N 2.83Å; L25-E29 WeakPolarHBondContact O-CB 3.38Å; L25-E29 PolarHBondContact O-N 3.14Å
26K90.3Very high90.9Very high92 Ų9284.5 Ų84.540%0.441%0.408SS..Hα-helixtrans-62-41.7178-170.3169-176.3-71.40112.2D22 A24 E29 E30D22-K26 VanDerWaalsContact O-CB 3.27Å; D22-K26 WeakPolarHBondContact O-CB 3.31Å; D22-K26 PolarHBondContact O-N 3.3Å; A24-K26 VanDerWaalsContact C-N 3.32Å; A24-K26 PolarHBondContact O-N 3.08Å; K26-E29 PolarHBondContact O-N 3.05Å; K26-E30 IonicContact NZ-OE1 3.86Å; K26-E30 PolarHBondContact NZ-OE1 3.13Å; K26-E30 WeakPolarHBondContact O-CB 3.33Å; K26-E30 WeakPolarHBondContact O-CG 3.42Å; K26-E30 PolarHBondContact O-N 2.61Å
27R91.5Very high90.6Very high159 Ų15984.5 Ų84.560%0.641%0.412SS*.Hα-helixtrans-65.3-42.8173.9-81.2-179.1-71.2115.6-6.8112.7A23 A24 L25 E29 E30 E31A23-R27 PolarHBondContact O-N 3.33Å; A23-R27 PolarHBondContact O-NE 3.44Å; A24-R27 PolarHBondContact O-N 3.44Å; L25-R27 PolarHBondContact O-N 2.65Å; R27-E29 VanDerWaalsContact C-N 3.3Å; R27-E29 PolarHBondContact O-N 2.87Å; R27-E30 PolarHBondContact O-N 2.79Å; R27-E31 VanDerWaalsContact O-CB 3.31Å; R27-E31 WeakPolarHBondContact O-CB 3.33Å; R27-E31 PolarHBondContact O-N 3.33Å
28A91.9Very high90.3Very high59 Ų5986.5 Ų86.549%0.48842%0.423SS..Hα-helixtrans-63.7-36.2176.500000112.3A24 L25 R32A24-A28 PolarHBondContact O-N 3.4Å; L25-A28 PolarHBondContact O-N 2.83Å; A28-R32 WeakPolarHBondContact O-CB 3.45Å; A28-R32 PolarHBondContact O-N 2.79Å
29E89.2Confident89.7Confident82 Ų8289.9 Ų89.938%0.38343%0.43SS..Hα-helixtrans-72.4-41.6174.6-179.164.8179.600112.1L25 K26 R27 E31 R32 V33L25-E29 WeakPolarHBondContact O-CB 3.38Å; L25-E29 PolarHBondContact O-N 3.14Å; K26-E29 PolarHBondContact O-N 3.05Å; R27-E29 VanDerWaalsContact C-N 3.3Å; R27-E29 PolarHBondContact O-N 2.87Å; E29-E31 VanDerWaalsContact C-N 3.3Å; E29-E31 PolarHBondContact O-N 3.18Å; E29-R32 PolarHBondContact O-N 2.97Å; E29-R32 IonicContact OE1-CZ 3.94Å; E29-R32 IonicContact OE1-NE 3.96Å; E29-R32 PolarHBondContact OE1-NE 2.85Å; E29-R32 IonicContact OE1-NH2 2.81Å; E29-R32 PolarHBondContact OE1-NH2 2.92Å; E29-R32 IonicContact OE2-CZ 2.79Å; E29-R32 IonicContact OE2-NE 2.74Å; E29-R32 PolarHBondContact OE2-NE 2.86Å; E29-R32 IonicContact OE2-NH2 2.92Å; E29-V33 WeakPolarHBondContact O-CB 3.26Å; E29-V33 VanDerWaalsContact O-CG2 3.28Å; E29-V33 WeakPolarHBondContact O-CG2 3.48Å; E29-V33 PolarHBondContact O-N 2.86Å
30E89.1Confident89.1Confident97 Ų9790.2 Ų90.245%0.45343%0.432SS..Hα-helixtrans-60.5-39.7173.7-76.2165.9163.200111.7K26 R27 V33 R34K26-E30 IonicContact NZ-OE1 3.86Å; K26-E30 PolarHBondContact NZ-OE1 3.13Å; K26-E30 WeakPolarHBondContact O-CB 3.33Å; K26-E30 WeakPolarHBondContact O-CG 3.42Å; K26-E30 PolarHBondContact O-N 2.61Å; R27-E30 PolarHBondContact O-N 2.79Å; E30-V33 PolarHBondContact O-N 2.85Å; E30-R34 WeakPolarHBondContact O-CB 3.4Å; E30-R34 PolarHBondContact O-N 2.83Å
31E91Very high88.6Confident99 Ų9994.8 Ų94.846%0.46345%0.45SS..Hα-helixtrans-68-43173.8-175.1144.2-101.200112.4R27 E29 V33 R34 H35R27-E31 VanDerWaalsContact O-CB 3.31Å; R27-E31 WeakPolarHBondContact O-CB 3.33Å; R27-E31 PolarHBondContact O-N 3.33Å; E29-E31 VanDerWaalsContact C-N 3.3Å; E29-E31 PolarHBondContact O-N 3.18Å; E31-V33 VanDerWaalsContact C-N 3.26Å; E31-V33 PolarHBondContact O-N 3.38Å; E31-R34 WeakPolarHBondContact O-CB 3.25Å; E31-R34 PolarHBondContact O-N 2.71Å; E31-R34 IonicContact OE1-CZ 2.61Å; E31-R34 VanDerWaalsContact OE1-CZ 3.26Å; E31-R34 IonicContact OE1-NH1 3.79Å; E31-R34 PolarHBondContact OE1-NH1 2.85Å; E31-R34 IonicContact OE1-NH2 2.98Å; E31-R34 PolarHBondContact OE1-NH2 2.85Å; E31-H35 PolarHBondContact O-CD2 2.85Å; E31-H35 PolarHBondContact O-N 2.79Å; E31-H35 VanDerWaalsContact O-N 3.1Å
32R92.8Very high88.2Confident95 Ų9591.1 Ų91.136%0.35844%0.442SS..Hα-helixtrans-59.4-38172.4-170.5-16266.576.5-5.7111.9A28 E29 L36 M49A28-R32 WeakPolarHBondContact O-CB 3.45Å; A28-R32 PolarHBondContact O-N 2.79Å; E29-R32 PolarHBondContact O-N 2.97Å; E29-R32 IonicContact OE1-CZ 3.94Å; E29-R32 IonicContact OE1-NE 3.96Å; E29-R32 PolarHBondContact OE1-NE 2.85Å; E29-R32 IonicContact OE1-NH2 2.81Å; E29-R32 PolarHBondContact OE1-NH2 2.92Å; E29-R32 IonicContact OE2-CZ 2.79Å; E29-R32 IonicContact OE2-NE 2.74Å; E29-R32 PolarHBondContact OE2-NE 2.86Å; E29-R32 IonicContact OE2-NH2 2.92Å; R32-L36 PolarHBondContact O-N 2.99Å; R32-M49 PolarHBondContact NH1-O 2.8Å; R32-M49 PolarHBondContact NH2-O 3.4Å
33V88Confident87.8Confident44 Ų4493.4 Ų93.427%0.26746%0.455SS..Hα-helixtrans-74.6-36.1177.5171.90000111.5E29 E30 E31 H35 L36 P37E29-V33 WeakPolarHBondContact O-CB 3.26Å; E29-V33 VanDerWaalsContact O-CG2 3.28Å; E29-V33 WeakPolarHBondContact O-CG2 3.48Å; E29-V33 PolarHBondContact O-N 2.86Å; E30-V33 PolarHBondContact O-N 2.85Å; E31-V33 VanDerWaalsContact C-N 3.26Å; E31-V33 PolarHBondContact O-N 3.38Å; V33-H35 VanDerWaalsContact C-N 3.32Å; V33-H35 PolarHBondContact O-N 3.01Å; V33-L36 WeakPolarHBondContact O-CB 3.46Å; V33-L36 PolarHBondContact O-N 3.36Å; V33-L36 VanDerWaalsContact O-N 3.15Å; V33-P37 WeakPolarHBondContact O-CD 3.11Å
34R88.2Confident87.4Confident145 Ų14597.4 Ų97.455%0.54747%0.468SS..Hα-helixtrans-58.7-41.8173-170.8-177.672.1-137.11.2112E30 E31 L36 P37E30-R34 WeakPolarHBondContact O-CB 3.4Å; E30-R34 PolarHBondContact O-N 2.83Å; E31-R34 WeakPolarHBondContact O-CB 3.25Å; E31-R34 PolarHBondContact O-N 2.71Å; E31-R34 IonicContact OE1-CZ 2.61Å; E31-R34 VanDerWaalsContact OE1-CZ 3.26Å; E31-R34 IonicContact OE1-NH1 3.79Å; E31-R34 PolarHBondContact OE1-NH1 2.85Å; E31-R34 IonicContact OE1-NH2 2.98Å; E31-R34 PolarHBondContact OE1-NH2 2.85Å; R34-L36 VanDerWaalsContact C-N 3.3Å; R34-L36 PolarHBondContact O-N 2.99Å; R34-P37 WeakPolarHBondContact O-CD 3.41Å
35H87.8Confident86.8Confident63 Ų63100.3 Ų100.329%0.29247%0.474SS..THydrogen-bonded Turntrans-89.217.8177.3-67.8-68.5000114.4E31 V33 E38E31-H35 PolarHBondContact O-CD2 2.85Å; E31-H35 PolarHBondContact O-N 2.79Å; E31-H35 VanDerWaalsContact O-N 3.1Å; V33-H35 VanDerWaalsContact C-N 3.32Å; V33-H35 PolarHBondContact O-N 3.01Å; H35-E38 WeakPolarHBondContact CB-OE2 3.4Å; H35-E38 IonicContact CE1-OE1 2.66Å; H35-E38 IonicContact CE1-OE2 2.75Å; H35-E38 IonicContact CG-OE2 3.89Å; H35-E38 IonicContact ND1-OE1 2.77Å; H35-E38 PolarHBondContact ND1-OE1 2.84Å; H35-E38 IonicContact ND1-OE2 3.61Å; H35-E38 PolarHBondContact ND1-OE2 2.78Å
36L85.4Confident86.6Confident10 Ų1096 Ų965%0.05245%0.452CS..SBendtrans-88.2-40.6179.9-160.166.4000114.1R32 V33 R34 E38 K39 I40 L46 M49R32-L36 PolarHBondContact O-N 2.99Å; V33-L36 WeakPolarHBondContact O-CB 3.46Å; V33-L36 PolarHBondContact O-N 3.36Å; V33-L36 VanDerWaalsContact O-N 3.15Å; R34-L36 VanDerWaalsContact C-N 3.3Å; R34-L36 PolarHBondContact O-N 2.99Å; L36-E38 PolarHBondContact O-N 2.84Å; L36-K39 PolarHBondContact O-N 3.46Å; L36-I40 HydrophobicContact CD1-CD1 3.75Å; L36-I40 HydrophobicContact CD1-CG1 4.43Å; L36-I40 HydrophobicContact CG-CD1 3.98Å; L36-I40 PolarHBondContact O-N 3.49Å; L36-I40 VanDerWaalsContact O-N 3.08Å; L36-L46 HydrophobicContact CB-CD1 3.92Å; L36-L46 HydrophobicContact CD2-CD1 3.85Å; L36-L46 HydrophobicContact CG-CD1 3.69Å; L36-M49 HydrophobicContact CD1-CB 4.49Å; L36-M49 HydrophobicContact CD1-CE 4.49Å; L36-M49 VanDerWaalsContact CD2-C 3.44Å; L36-M49 HydrophobicContact CD2-CB 3.88Å; L36-M49 WeakPolarHBondContact CD2-O 3.43Å
37P84.6Confident86.4Confident71 Ų7194.9 Ų94.946%0.46145%0.447SS..THydrogen-bonded Turntrans-61.6-31.5175.1-22.133.7000113V33 R34 K39 I40 L46V33-P37 WeakPolarHBondContact O-CD 3.11Å; R34-P37 WeakPolarHBondContact O-CD 3.41Å; P37-K39 PolarHBondContact O-N 2.93Å; P37-I40 PolarHBondContact O-N 2.82Å; P37-L46 HydrophobicContact CB-CD1 4.48Å; P37-L46 HydrophobicContact CB-CD2 4.32Å; P37-L46 HydrophobicContact CG-CD1 4.11Å; P37-L46 HydrophobicContact CG-CD2 4.23Å
38E86Confident86.1Confident132 Ų13291.3 Ų91.362%0.61744%0.44SS*.THydrogen-bonded Turntrans-58.6-27.4174.1-62.7170173.800112.7H35 L36H35-E38 WeakPolarHBondContact CB-OE2 3.4Å; H35-E38 IonicContact CE1-OE1 2.66Å; H35-E38 IonicContact CE1-OE2 2.75Å; H35-E38 IonicContact CG-OE2 3.89Å; H35-E38 IonicContact ND1-OE1 2.77Å; H35-E38 PolarHBondContact ND1-OE1 2.84Å; H35-E38 IonicContact ND1-OE2 3.61Å; H35-E38 PolarHBondContact ND1-OE2 2.78Å; L36-E38 PolarHBondContact O-N 2.84Å
39K81.3Confident85.7Confident165 Ų16592.9 Ų92.972%0.71744%0.438SS*.THydrogen-bonded Turntrans-107.9-17-173.5-64.7174.6-175.3171.30113.4L36 P37L36-K39 PolarHBondContact O-N 3.46Å; P37-K39 PolarHBondContact O-N 2.93Å
40I80.3Confident85.7Confident25 Ų2589.8 Ų89.813%0.12843%0.426CS..  trans-136.9111.3-172.2-54.7-177.8000109.7L36 P37 Q45 L46 M49L36-I40 HydrophobicContact CD1-CD1 3.75Å; L36-I40 HydrophobicContact CD1-CG1 4.43Å; L36-I40 HydrophobicContact CG-CD1 3.98Å; L36-I40 PolarHBondContact O-N 3.49Å; L36-I40 VanDerWaalsContact O-N 3.08Å; P37-I40 PolarHBondContact O-N 2.82Å; I40-Q45 HydrophobicContact CG2-CB 3.53Å; I40-L46 HydrophobicContact CB-CD1 4.42Å; I40-L46 HydrophobicContact CG2-CB 4.13Å; I40-M49 HydrophobicContact CD1-CB 4.11Å; I40-M49 HydrophobicContact CD1-CE 3.94Å; I40-M49 HydrophobicContact CD1-CG 4.32Å; I40-M49 HydrophobicContact CD1-SD 3.48Å; I40-M49 WeakPolarHBondContact CD1-SD 3.31Å
41K81.3Confident85.6Confident213 Ų21386.1 Ų86.193%0.92641%0.414SS*.  trans-91.4-6.4178.8-62.9-172.8178.2-175.60114.9
42D85.1Confident85.4Confident82 Ų8286.2 Ų86.244%0.43941%0.414SS..  trans-93.6118.3172.9165.737.5000110.1Q44 Q45 L46D42-Q44 PolarHBondContact O-N 3.07Å; D42-Q44 PolarHBondContact OD1-N 3.09Å; D42-Q45 HydrophobicContact CB-CB 4.1Å; D42-Q45 HydrophobicContact CB-CG 4.21Å; D42-Q45 PolarHBondContact O-N 3.04Å; D42-Q45 WeakPolarHBondContact OD2-CB 3.46Å; D42-Q45 WeakPolarHBondContact OD2-CG 3.46Å; D42-Q45 PolarHBondContact OD2-N 3Å; D42-L46 VanDerWaalsContact O-CB 3.28Å; D42-L46 WeakPolarHBondContact O-CB 3.41Å; D42-L46 PolarHBondContact O-N 2.78Å
43D83.5Confident85.2Confident131 Ų13188 Ų8870%0.70142%0.421SS*.Hα-helixtrans-55.5-33.5176.7-77.8-28.7000112.9L46 K47D43-L46 PolarHBondContact O-N 2.9Å; D43-K47 WeakPolarHBondContact O-CB 3.35Å; D43-K47 PolarHBondContact O-N 3.28Å
44Q81.8Confident85.1Confident114 Ų11491.1 Ų91.153%0.53343%0.431SS..Hα-helixtrans-75.7-42.2-176.7-169.558.673.300111.6D42 N48D42-Q44 PolarHBondContact O-N 3.07Å; D42-Q44 PolarHBondContact OD1-N 3.09Å; Q44-N48 PolarHBondContact NE2-OD1 2.71Å; Q44-N48 WeakPolarHBondContact O-CB 3.42Å; Q44-N48 PolarHBondContact O-N 3.15Å; Q44-N48 VanDerWaalsContact O-N 3.13Å; Q44-N48 PolarHBondContact O-ND2 3.33Å
45Q82Confident84.9Confident103 Ų10389.9 Ų89.948%0.48143%0.428SS..Hα-helixtrans-59.5-47.5165.7-74.9-89.7-27.800111.4I40 D42 K47 N48 M49I40-Q45 HydrophobicContact CG2-CB 3.53Å; D42-Q45 HydrophobicContact CB-CB 4.1Å; D42-Q45 HydrophobicContact CB-CG 4.21Å; D42-Q45 PolarHBondContact O-N 3.04Å; D42-Q45 WeakPolarHBondContact OD2-CB 3.46Å; D42-Q45 WeakPolarHBondContact OD2-CG 3.46Å; D42-Q45 PolarHBondContact OD2-N 3Å; Q45-K47 PolarHBondContact O-N 3.43Å; Q45-N48 WeakPolarHBondContact O-CB 3.17Å; Q45-N48 PolarHBondContact O-N 2.91Å; Q45-N48 VanDerWaalsContact O-N 3.14Å; Q45-M49 WeakPolarHBondContact O-CB 3.1Å; Q45-M49 PolarHBondContact O-N 2.85Å
46L86.8Confident84.8Confident35 Ų3589.9 Ų89.918%0.18343%0.427CS..Hα-helixtrans-60.7-45.3-178.5-17764000111.3L36 P37 I40 D42 D43 N48 M49 S50L36-L46 HydrophobicContact CB-CD1 3.92Å; L36-L46 HydrophobicContact CD2-CD1 3.85Å; L36-L46 HydrophobicContact CG-CD1 3.69Å; P37-L46 HydrophobicContact CB-CD1 4.48Å; P37-L46 HydrophobicContact CB-CD2 4.32Å; P37-L46 HydrophobicContact CG-CD1 4.11Å; P37-L46 HydrophobicContact CG-CD2 4.23Å; I40-L46 HydrophobicContact CB-CD1 4.42Å; I40-L46 HydrophobicContact CG2-CB 4.13Å; D42-L46 VanDerWaalsContact O-CB 3.28Å; D42-L46 WeakPolarHBondContact O-CB 3.41Å; D42-L46 PolarHBondContact O-N 2.78Å; D43-L46 PolarHBondContact O-N 2.9Å; L46-N48 VanDerWaalsContact C-N 3.32Å; L46-N48 PolarHBondContact O-N 2.74Å; L46-M49 PolarHBondContact O-N 2.81Å; L46-S50 WeakPolarHBondContact O-CB 3.25Å; L46-S50 PolarHBondContact O-N 3.33Å; L46-S50 PolarHBondContact O-OG 3.1Å
47K86.3Confident84.8Confident69 Ų6991.7 Ų91.730%0.344%0.444SS..Hα-helixtrans-65.2-31.8175.5179.3159.4178.6153.70113.5D43 Q45 S50 Q52 W53 E56D43-K47 WeakPolarHBondContact O-CB 3.35Å; D43-K47 PolarHBondContact O-N 3.28Å; Q45-K47 PolarHBondContact O-N 3.43Å; K47-S50 PolarHBondContact O-OG 3.18Å; K47-Q52 HydrophobicContact CG-CB 4.37Å; K47-Q52 PolarHBondContact O-N 3.44Å; K47-W53 HydrophobicContact CG-CB 4.23Å; K47-E56 VanDerWaalsContact CE-OE1 3.23Å; K47-E56 WeakPolarHBondContact CE-OE1 3.43Å; K47-E56 IonicContact NZ-OE1 2.62Å; K47-E56 PolarHBondContact NZ-OE1 3.13Å; K47-E56 IonicContact NZ-OE2 2.62Å; K47-E56 PolarHBondContact NZ-OE2 3.42Å
48N85.8Confident84.7Confident84 Ų8491.7 Ų91.745%0.44944%0.437SS..Hα-helixtrans-73.7-46.3174.1-71.3-16.9000111.6Q44 Q45 L46 G51Q44-N48 PolarHBondContact NE2-OD1 2.71Å; Q44-N48 WeakPolarHBondContact O-CB 3.42Å; Q44-N48 PolarHBondContact O-N 3.15Å; Q44-N48 VanDerWaalsContact O-N 3.13Å; Q44-N48 PolarHBondContact O-ND2 3.33Å; Q45-N48 WeakPolarHBondContact O-CB 3.17Å; Q45-N48 PolarHBondContact O-N 2.91Å; Q45-N48 VanDerWaalsContact O-N 3.14Å; L46-N48 VanDerWaalsContact C-N 3.32Å; L46-N48 PolarHBondContact O-N 2.74Å; N48-G51 PolarHBondContact O-N 3.36Å
49M84.5Confident84.6Confident91 Ų9188.9 Ų88.945%0.44844%0.436SS..Hα-helixtrans-84.3-14.8-174.5-71.4-172.861.200114.9R32 L36 I40 Q45 L46R32-M49 PolarHBondContact NH1-O 2.8Å; R32-M49 PolarHBondContact NH2-O 3.4Å; L36-M49 HydrophobicContact CD1-CB 4.49Å; L36-M49 HydrophobicContact CD1-CE 4.49Å; L36-M49 VanDerWaalsContact CD2-C 3.44Å; L36-M49 HydrophobicContact CD2-CB 3.88Å; L36-M49 WeakPolarHBondContact CD2-O 3.43Å; I40-M49 HydrophobicContact CD1-CB 4.11Å; I40-M49 HydrophobicContact CD1-CE 3.94Å; I40-M49 HydrophobicContact CD1-CG 4.32Å; I40-M49 HydrophobicContact CD1-SD 3.48Å; I40-M49 WeakPolarHBondContact CD1-SD 3.31Å; Q45-M49 WeakPolarHBondContact O-CB 3.1Å; Q45-M49 PolarHBondContact O-N 2.85Å; L46-M49 PolarHBondContact O-N 2.81Å
50S87.9Confident84.9Confident18 Ų1889.2 Ų89.213%0.12644%0.437CS..THydrogen-bonded Turntrans-84.6-13166.555.80000113.2L46 K47 Q52L46-S50 WeakPolarHBondContact O-CB 3.25Å; L46-S50 PolarHBondContact O-N 3.33Å; L46-S50 PolarHBondContact O-OG 3.1Å; K47-S50 PolarHBondContact O-OG 3.18Å; S50-Q52 PolarHBondContact O-N 2.85Å; S50-Q52 WeakPolarHBondContact OG-CB 3.38Å; S50-Q52 PolarHBondContact OG-N 3.44Å
51G87.6Confident85Confident20 Ų2098 Ų9821%0.20647%0.469CS..  trans68.59.1-170.100000114.2N48 W53 F54 Y55N48-G51 PolarHBondContact O-N 3.36Å; G51-W53 PolarHBondContact O-N 3.24Å; G51-W53 VanDerWaalsContact O-N 3.13Å; G51-F54 VanDerWaalsContact O-CB 3.31Å; G51-F54 WeakPolarHBondContact O-CB 3.19Å; G51-F54 PolarHBondContact O-N 3.34Å; G51-Y55 WeakPolarHBondContact O-CD2 3.43Å; G51-Y55 PolarHBondContact O-N 3.43Å
52Q86.3Confident85Confident100 Ų10092.4 Ų92.447%0.46745%0.446SS..Hα-helixtrans-56.5-34.1-175.9-177.169.2-22.400112.8K47 S50 F54 Y55 E56K47-Q52 HydrophobicContact CG-CB 4.37Å; K47-Q52 PolarHBondContact O-N 3.44Å; S50-Q52 PolarHBondContact O-N 2.85Å; S50-Q52 WeakPolarHBondContact OG-CB 3.38Å; S50-Q52 PolarHBondContact OG-N 3.44Å; Q52-F54 PolarHBondContact O-N 3.28Å; Q52-Y55 PolarHBondContact O-N 2.82Å; Q52-E56 PolarHBondContact O-N 2.98Å
53W88.1Confident84.6Confident134 Ų134100.1 Ų100.151%0.50847%0.469SS..Hα-helixtrans-58.2-33.3173.576-91.1000113.5K47 G51 A57K47-W53 HydrophobicContact CG-CB 4.23Å; G51-W53 PolarHBondContact O-N 3.24Å; G51-W53 VanDerWaalsContact O-N 3.13Å; W53-A57 VanDerWaalsContact O-CB 3.31Å; W53-A57 WeakPolarHBondContact O-CB 3.4Å; W53-A57 PolarHBondContact O-N 2.86Å
54F86.9Confident84Confident109 Ų10999.7 Ų99.748%0.47847%0.467SS..Hα-helixtrans-74.1-40.4179.3170.8-95.6000111G51 Q52 A57 K58G51-F54 VanDerWaalsContact O-CB 3.31Å; G51-F54 WeakPolarHBondContact O-CB 3.19Å; G51-F54 PolarHBondContact O-N 3.34Å; Q52-F54 PolarHBondContact O-N 3.28Å; F54-A57 PolarHBondContact O-N 3.45Å; F54-K58 VanDerWaalsContact O-CB 3.31Å; F54-K58 WeakPolarHBondContact O-CB 3.47Å; F54-K58 PolarHBondContact O-N 3.44Å
55Y83.8Confident83.7Confident119 Ų119101.5 Ų101.547%0.46747%0.473SS..Hα-helixtrans-66.8-40.1175-68.7-76.6000111.8G51 Q52 K58 A59G51-Y55 WeakPolarHBondContact O-CD2 3.43Å; G51-Y55 PolarHBondContact O-N 3.43Å; Q52-Y55 PolarHBondContact O-N 2.82Å; Y55-K58 PolarHBondContact O-N 2.93Å; Y55-A59 WeakPolarHBondContact O-CB 3.5Å; Y55-A59 PolarHBondContact O-N 3.4Å
56E85.3Confident83.4Confident62 Ų62102 Ų10229%0.2948%0.477SS..Hα-helixtrans-59.5-45.3169.8-75.4175.6-145.200112.6K47 Q52 A59 K60K47-E56 VanDerWaalsContact CE-OE1 3.23Å; K47-E56 WeakPolarHBondContact CE-OE1 3.43Å; K47-E56 IonicContact NZ-OE1 2.62Å; K47-E56 PolarHBondContact NZ-OE1 3.13Å; K47-E56 IonicContact NZ-OE2 2.62Å; K47-E56 PolarHBondContact NZ-OE2 3.42Å; Q52-E56 PolarHBondContact O-N 2.98Å; E56-A59 PolarHBondContact O-N 2.83Å; E56-K60 WeakPolarHBondContact O-CB 3.42Å; E56-K60 VanDerWaalsContact O-CG 3.31Å; E56-K60 WeakPolarHBondContact O-CG 3.22Å; E56-K60 PolarHBondContact O-N 3.27Å; E56-K60 IonicContact OE2-NZ 3.33Å
57A85.5Confident83.1Confident48 Ų48103.7 Ų103.740%0.39748%0.484SS..Hα-helixtrans-66.4-38.8178.800000112.2W53 F54 K60 R61W53-A57 VanDerWaalsContact O-CB 3.31Å; W53-A57 WeakPolarHBondContact O-CB 3.4Å; W53-A57 PolarHBondContact O-N 2.86Å; F54-A57 PolarHBondContact O-N 3.45Å; A57-K60 PolarHBondContact O-N 3.31Å; A57-R61 PolarHBondContact O-N 3.01Å
58K83.6Confident83Confident72 Ų72102.7 Ų102.731%0.31349%0.494SS..Hα-helixtrans-61.2-49.7173.4-179.9-175.8173.2-170.60110.7F54 Y55 K60 R61 H62 H67F54-K58 VanDerWaalsContact O-CB 3.31Å; F54-K58 WeakPolarHBondContact O-CB 3.47Å; F54-K58 PolarHBondContact O-N 3.44Å; Y55-K58 PolarHBondContact O-N 2.93Å; K58-K60 VanDerWaalsContact C-N 3.32Å; K58-K60 PolarHBondContact O-N 2.98Å; K58-R61 PolarHBondContact O-N 3.48Å; K58-R61 VanDerWaalsContact O-N 3.09Å; K58-H62 PolarHBondContact O-N 3.23Å; K58-H67 PolarHBondContact NZ-NE2 2.88Å; K58-H67 VanDerWaalsContact NZ-NE2 3.15Å
59A83.8Confident83Confident72 Ų7299.6 Ų99.660%0.59548%0.48SS*.Hα-helixtrans-63.2-34179.300000113.1Y55 E56 R61Y55-A59 WeakPolarHBondContact O-CB 3.5Å; Y55-A59 PolarHBondContact O-N 3.4Å; E56-A59 PolarHBondContact O-N 2.83Å; A59-R61 VanDerWaalsContact C-N 3.31Å; A59-R61 PolarHBondContact O-N 3.09Å
60K86.6Confident83.1Confident172 Ų17298.4 Ų98.475%0.74848%0.475SS*.Hα-helixtrans-70.8-22.9174.1-74.1165.8-178.1165.10113.6E56 A57 K58E56-K60 WeakPolarHBondContact O-CB 3.42Å; E56-K60 VanDerWaalsContact O-CG 3.31Å; E56-K60 WeakPolarHBondContact O-CG 3.22Å; E56-K60 PolarHBondContact O-N 3.27Å; E56-K60 IonicContact OE2-NZ 3.33Å; A57-K60 PolarHBondContact O-N 3.31Å; K58-K60 VanDerWaalsContact C-N 3.32Å; K58-K60 PolarHBondContact O-N 2.98Å
61R83.7Confident83.1Confident210 Ų210100.1 Ų100.179%0.79248%0.482SS*.Hα-helixtrans-100.8-30.4-177.1-170.9178.1-174.2-171.32.1114A57 K58 A59A57-R61 PolarHBondContact O-N 3.01Å; K58-R61 PolarHBondContact O-N 3.48Å; K58-R61 VanDerWaalsContact O-N 3.09Å; A59-R61 VanDerWaalsContact C-N 3.31Å; A59-R61 PolarHBondContact O-N 3.09Å
62H80.1Confident83.1Confident95 Ų95100.9 Ų100.944%0.4448%0.481SS..  trans-125.8121.9-174.1-59.2-83.6000110.2K58 D64K58-H62 PolarHBondContact O-N 3.23Å; H62-D64 PolarHBondContact O-N 3.4Å
63R76.6Confident83.1Confident244 Ų244100.3 Ų100.392%0.92148%0.475SS*.  trans-70.2-23.6174.6-71.5-177.3173.6175.5-2.6112.5K65R63-K65 PolarHBondContact O-N 3.46Å
64D71.9Confident83Confident123 Ų12396.1 Ų96.166%0.65847%0.469SS*.  trans-77.7104.6-174.9-50.4-57.8000111.2H62 I66H62-D64 PolarHBondContact O-N 3.4Å; D64-I66 PolarHBondContact O-N 3.04Å
65K75.1Confident82.9Confident151 Ų15191.6 Ų91.666%0.65745%0.45SS*.  trans-73.1-12174.8-63.5-174.9-178.8-179.30113.4R63 H67R63-K65 PolarHBondContact O-N 3.46Å; K65-H67 PolarHBondContact O-N 3.05Å; K65-H67 PolarHBondContact O-ND1 2.76Å
66I75.6Confident82.8Confident113 Ų11387.3 Ų87.358%0.57944%0.435SS*.  trans-71.2125.7-174.3-45177.4000110.2D64 D70 I71D64-I66 PolarHBondContact O-N 3.04Å; I66-D70 HydrophobicContact CG2-CB 4.31Å; I66-I71 HydrophobicContact CG2-CD1 4.2Å; I66-I71 HydrophobicContact CG2-CG1 3.64Å
67H79.6Confident82.4Confident72 Ų7293.1 Ų93.133%0.33345%0.454SS..  trans-81.1146.3175.2-73.270.7000111.1K58 K65 A69 D70 I71K58-H67 PolarHBondContact NZ-NE2 2.88Å; K58-H67 VanDerWaalsContact NZ-NE2 3.15Å; K65-H67 PolarHBondContact O-N 3.05Å; K65-H67 PolarHBondContact O-ND1 2.76Å; H67-A69 PolarHBondContact O-N 3.2Å; H67-D70 WeakPolarHBondContact CB-OD2 3.28Å; H67-D70 WeakPolarHBondContact O-CB 3.38Å; H67-D70 PolarHBondContact O-N 3.26Å; H67-I71 PolarHBondContact O-N 3.24Å
68G84.5Confident81.5Confident48 Ų4899.3 Ų99.350%0.49547%0.467SS..Hα-helixtrans-55.8-38.5179.800000112.9D70 I71 I72G68-D70 PolarHBondContact O-N 3.17Å; G68-I71 PolarHBondContact O-N 3.48Å; G68-I71 VanDerWaalsContact O-N 3.16Å; G68-I72 WeakPolarHBondContact O-CG1 3.38Å; G68-I72 PolarHBondContact O-N 2.98Å
69A87.2Confident80.4Confident19 Ų19101 Ų10116%0.15748%0.475CS..Hα-helixtrans-57.2-33.6173.600000113.3L19 H67 R73L19-A69 HydrophobicContact CD2-CB 3.68Å; H67-A69 PolarHBondContact O-N 3.2Å; A69-R73 VanDerWaalsContact O-CB 3.3Å; A69-R73 WeakPolarHBondContact O-CB 3.49Å; A69-R73 WeakPolarHBondContact O-CG 3.31Å; A69-R73 PolarHBondContact O-N 2.75Å; A69-R73 PolarHBondContact O-NE 2.85Å
70D85.6Confident79.1Confident65 Ų65106.2 Ų106.235%0.34848%0.484SS..Hα-helixtrans-76-36.8178.2-55.8-36.8000111.5I66 H67 G68 R73 A74I66-D70 HydrophobicContact CG2-CB 4.31Å; H67-D70 WeakPolarHBondContact CB-OD2 3.28Å; H67-D70 WeakPolarHBondContact O-CB 3.38Å; H67-D70 PolarHBondContact O-N 3.26Å; G68-D70 PolarHBondContact O-N 3.17Å; D70-R73 PolarHBondContact O-N 2.83Å; D70-R73 IonicContact OD1-CZ 3.03Å; D70-R73 IonicContact OD1-NE 3.61Å; D70-R73 IonicContact OD1-NH2 3.67Å; D70-R73 PolarHBondContact OD1-NH2 2.97Å; D70-A74 VanDerWaalsContact O-CB 3.23Å; D70-A74 WeakPolarHBondContact O-CB 3.31Å; D70-A74 PolarHBondContact O-N 3.27Å
71I87.2Confident76.8Confident54 Ų54105.1 Ų105.128%0.27749%0.485SS..Hα-helixtrans-62.5-46.7174.5-55175.7000109.9I2 I66 H67 G68 A74 S75I2-I71 HydrophobicContact CB-CG2 4.45Å; I2-I71 HydrophobicContact CD1-CG2 3.75Å; I2-I71 HydrophobicContact CG1-CG2 3.82Å; I66-I71 HydrophobicContact CG2-CD1 4.2Å; I66-I71 HydrophobicContact CG2-CG1 3.64Å; H67-I71 PolarHBondContact O-N 3.24Å; G68-I71 PolarHBondContact O-N 3.48Å; G68-I71 VanDerWaalsContact O-N 3.16Å; I71-A74 PolarHBondContact O-N 3.19Å; I71-S75 WeakPolarHBondContact O-CB 3.31Å; I71-S75 PolarHBondContact O-N 3.17Å; I71-S75 PolarHBondContact O-OG 3.21Å
72I87.8Confident74.8Confident36 Ų36100 Ų10019%0.18548%0.479CS..Hα-helixtrans-65.8-46.6177.5-57.7-62.9000110.7I2 L4 I15 L19 G68 A74 S75 M76I2-I72 HydrophobicContact CD1-CD1 3.79Å; L4-I72 HydrophobicContact CD1-CD1 3.99Å; L4-I72 HydrophobicContact CD1-CG2 3.93Å; L4-I72 HydrophobicContact CD2-CD1 4.49Å; I15-I72 HydrophobicContact CG2-CG2 3.73Å; L19-I72 HydrophobicContact CD1-CB 4.35Å; L19-I72 HydrophobicContact CD1-CG2 3.77Å; G68-I72 WeakPolarHBondContact O-CG1 3.38Å; G68-I72 PolarHBondContact O-N 2.98Å; I72-A74 VanDerWaalsContact C-N 3.31Å; I72-A74 PolarHBondContact O-N 3.48Å; I72-S75 PolarHBondContact O-N 2.86Å; I72-M76 HydrophobicContact CG2-CG 4.2Å; I72-M76 HydrophobicContact CG2-SD 3.78Å; I72-M76 WeakPolarHBondContact O-CG 3.48Å; I72-M76 PolarHBondContact O-N 2.88Å
73R86.6Confident72.9Confident89 Ų89101 Ų10134%0.33650%0.504SS..Hα-helixtrans-59.5-38.7176.6-75.3-173.8-68-167.73.4112.6L19 A69 D70 R77L19-R73 HydrophobicContact CD1-CG 4Å; A69-R73 VanDerWaalsContact O-CB 3.3Å; A69-R73 WeakPolarHBondContact O-CB 3.49Å; A69-R73 WeakPolarHBondContact O-CG 3.31Å; A69-R73 PolarHBondContact O-N 2.75Å; A69-R73 PolarHBondContact O-NE 2.85Å; D70-R73 PolarHBondContact O-N 2.83Å; D70-R73 IonicContact OD1-CZ 3.03Å; D70-R73 IonicContact OD1-NE 3.61Å; D70-R73 IonicContact OD1-NH2 3.67Å; D70-R73 PolarHBondContact OD1-NH2 2.97Å; R73-R77 WeakPolarHBondContact O-CB 3.49Å; R73-R77 WeakPolarHBondContact O-CD 3.36Å; R73-R77 VanDerWaalsContact O-CG 3.23Å; R73-R77 WeakPolarHBondContact O-CG 3.12Å; R73-R77 PolarHBondContact O-N 2.87Å; R73-R77 VanDerWaalsContact O-N 3.08Å
74A85.2Confident71.1Confident46 Ų4693.7 Ų93.738%0.3850%0.496SS..Hα-helixtrans-67.4-43.9175.500000112.4D70 I71 I72D70-A74 VanDerWaalsContact O-CB 3.23Å; D70-A74 WeakPolarHBondContact O-CB 3.31Å; D70-A74 PolarHBondContact O-N 3.27Å; I71-A74 PolarHBondContact O-N 3.19Å; I72-A74 VanDerWaalsContact C-N 3.31Å; I72-A74 PolarHBondContact O-N 3.48Å
75S85.1Confident69.3Low13 Ų1392.5 Ų92.59%0.09150%0.503CS..Hα-helixtrans-63.3-43.2175.7-73.40000112.4M1 I2 I71 I72 R78M1-S75 WeakPolarHBondContact CG-OG 2.92Å; I2-S75 PolarHBondContact N-OG 3.44Å; I2-S75 VanDerWaalsContact O-CB 3.29Å; I2-S75 WeakPolarHBondContact O-CB 3.31Å; I2-S75 PolarHBondContact O-OG 3.1Å; I71-S75 WeakPolarHBondContact O-CB 3.31Å; I71-S75 PolarHBondContact O-N 3.17Å; I71-S75 PolarHBondContact O-OG 3.21Å; I72-S75 PolarHBondContact O-N 2.86Å; S75-R78 PolarHBondContact O-N 2.92Å
76M82.2Confident67.6Low30 Ų3094.6 Ų94.615%0.14852%0.516CS..Hα-helixtrans-67.1-39.8178.7-68.6178.178.300112.8L4 Q12 I15 L16 L19 I72 R78 K79L4-M76 HydrophobicContact CD1-CG 4.05Å; Q12-M76 HydrophobicContact CB-CE 3.9Å; Q12-M76 HydrophobicContact CG-CE 4.31Å; Q12-M76 WeakPolarHBondContact O-CE 3.38Å; I15-M76 HydrophobicContact CG2-CE 4.38Å; I15-M76 HydrophobicContact CG2-SD 3.75Å; L16-M76 HydrophobicContact CB-CE 4.17Å; L19-M76 HydrophobicContact CD1-SD 4.05Å; I72-M76 HydrophobicContact CG2-CG 4.2Å; I72-M76 HydrophobicContact CG2-SD 3.78Å; I72-M76 WeakPolarHBondContact O-CG 3.48Å; I72-M76 PolarHBondContact O-N 2.88Å; M76-R78 PolarHBondContact O-N 3.03Å; M76-K79 PolarHBondContact O-N 2.91Å
77R77.8Confident65.8Low183 Ų18397.8 Ų97.869%0.69153%0.528SS*.Hα-helixtrans-55.6-33176.6-80.9168.8177158.1-4.2112.7R73 K79 K80R73-R77 WeakPolarHBondContact O-CB 3.49Å; R73-R77 WeakPolarHBondContact O-CD 3.36Å; R73-R77 VanDerWaalsContact O-CG 3.23Å; R73-R77 WeakPolarHBondContact O-CG 3.12Å; R73-R77 PolarHBondContact O-N 2.87Å; R73-R77 VanDerWaalsContact O-N 3.08Å; R77-K79 VanDerWaalsContact C-N 3.3Å; R77-K79 PolarHBondContact O-N 3.08Å; R77-K80 PolarHBondContact O-N 2.74Å; R77-K80 VanDerWaalsContact O-N 3.08Å
78R65.4Low63.8Low178 Ų178102 Ų10267%0.67255%0.553SS**G310 helixtrans-66.7-23.5177.9-74.8-172.9167.2-133.3-4.7114.4S75 M76 K80S75-R78 PolarHBondContact O-N 2.92Å; M76-R78 PolarHBondContact O-N 3.03Å; R78-K80 VanDerWaalsContact C-N 3.31Å
79K60.6Low61.5Low107 Ų107108.9 Ų108.947%0.46557%0.569SS.*G310 helixtrans-78.8-14.4172.7-166.1178.6170.7-169.50112.4L7 Q12 M76 R77L7-K79 PolarHBondContact O-NZ 3.36Å; L7-K79 VanDerWaalsContact O-NZ 3.12Å; Q12-K79 VanDerWaalsContact CD-NZ 3.32Å; Q12-K79 VanDerWaalsContact NE2-CD 3.3Å; Q12-K79 VanDerWaalsContact OE1-CD 3.24Å; M76-K79 PolarHBondContact O-N 2.91Å; R77-K79 VanDerWaalsContact C-N 3.3Å; R77-K79 PolarHBondContact O-N 3.08Å
80K56Low59.4Low182 Ų182115 Ų11579%0.79160%0.599SS**G310 helixtrans-100.426.2179.7-148.7179.7-178.9177.20113.9R77 R78 P82R77-K80 PolarHBondContact O-N 2.74Å; R77-K80 VanDerWaalsContact O-N 3.08Å; R78-K80 VanDerWaalsContact C-N 3.31Å; K80-P82 WeakPolarHBondContact O-CD 3.46Å
81L40Very low57.1Low149 Ų149118.5 Ų118.578%0.7862%0.623SS**  trans-97.4102.4160.6-91.6164000107.7
82P39.9Very low54.6Low102 Ų102120.6 Ų120.666%0.66265%0.648SS**  trans-85.4171.5-171.9-8.128000113.1K80 A84K80-P82 WeakPolarHBondContact O-CD 3.46Å; P82-A84 VanDerWaalsContact C-N 3.27Å; P82-A84 PolarHBondContact O-N 3.07Å
83A41.1Very low52.2Low116 Ų116126.8 Ų126.896%0.95968%0.679SS**SBendtrans-72.573.3176.100000112.5
84A37.9Very low49.8Very low91 Ų91133.3 Ų133.375%0.75270%0.703SS**  trans-135.222.7-179.900000113.1P82P82-A84 VanDerWaalsContact C-N 3.27Å; P82-A84 PolarHBondContact O-N 3.07Å
85A35.3Very low47.5Very low98 Ų98135.4 Ų135.481%0.8172%0.72SS**  trans-12330-171.300000114.1
86E38.2Very low45.1Very low196 Ų196144.5 Ų144.592%0.91676%0.758SS**SBendtrans-122.429170.9-74.7-156.9132.700113.5
87Q38.8Very low42.9Very low180 Ų180152.4 Ų152.484%0.84180%0.795SS**SBendtrans-158.182.4165.1-119.9171.412.200113.5
88N36.8Very low40.9Very low159 Ų159149.1 Ų149.185%0.8580%0.8SS**  179.3119.9121.3-95.5-37.4000111
89K37.8Very low39.5Very low193 Ų193152.3 Ų152.384%0.83981%0.812SS**  trans-86.2121.2144.1-66172.8-179.1173.50105.2
90D41.5Very low38.2Very low148 Ų148152.6 Ų152.679%0.79182%0.823SS**  175.7160.3127.5-90.7-14000112.7
91T37.2Very low37.1Very low139 Ų139151.5 Ų151.585%0.85383%0.825SS**  trans61.4106.8165.8-49.60000117.4
92A35.1Very low36.6Very low97 Ų97151.1 Ų151.180%0.80282%0.824SS**  trans-92.8134.9167.500000111.9
93M38.6Very low36.4Very low167 Ų167152.4 Ų152.482%0.82383%0.83SS**  trans-166.6149.9147.4-150178.3-72.100111.2
94R35.3Very low36.1Very low225 Ų225151.9 Ų151.985%0.84981%0.811SS**  trans62.9111.4177.5-52.9-176.6-176.9-170.20.1113.5
95A35.9Very low36.1Very low90 Ų90157.1 Ų157.174%0.74482%0.817SS**  cis73117.223.800000114.9
96K36.2Very low36Very low204 Ų204158.5 Ų158.589%0.88781%0.811SS**  trans67.1140.1-165.1-49.8177.9-176.1-177.90110.8
97E35.6Very low35.6Very low197 Ų197153.7 Ų153.792%0.92180%0.804SS**  cis-121.3178.222.6-72153.1-170.100114.4
98S34.6Very low35.4Very low114 Ų114152.1 Ų152.180%0.79781%0.807SS**  trans-141.2134.2-175.958.40000111.9
99W36.3Very low35.3Very low245 Ų245151.7 Ų151.793%0.92880%0.804SS**  trans-132.6104165.7-144.462.3000113.4
100V34.3Very low35.3Very low113 Ų113147.7 Ų147.769%0.68580%0.798SS**  trans36.1113.4161.2-90.20000121.1
101N32Very low35.1Very low158 Ų158145.4 Ų145.485%0.84579%0.791SS**  trans-85.2177.9146.6-89.3-61.4000111.2
102N30.8Very low34.9Very low141 Ų141146.2 Ų146.275%0.75479%0.785SS**  trans90.4116149.1-163.625.5000118.8
103V35.6Very low34.9Very low129 Ų129149.1 Ų149.178%0.78279%0.785SS**  trans-142.9128.1164.2173.80000109.2
104N34.4Very low34.6Very low106 Ų106144.7 Ų144.757%0.56778%0.775SS**  trans58.381.7172.4-71.665.4000118.9
105K37Very low34.5Very low200 Ų200140.6 Ų140.687%0.8778%0.775SS**PPolyproline II helix-100.1145.6122.4-101.7-175.5174.9-178.50108.8
106D34.8Very low34.7Very low128 Ų128141.4 Ų141.468%0.68477%0.77SS**PPolyproline II helixtrans-88.1165.6-171.4-51.4-73.8000112.6
107A29.6Very low34.7Very low94 Ų94140.4 Ų140.478%0.77777%0.769SS**PPolyproline II helixtrans-81.2152.3-154.400000117.5
108V33.2Very low34.5Very low148 Ų148139.9 Ų139.990%0.89777%0.766SS**  trans-137.5141146.6-177.40000107.4
109L34.9Very low35Very low150 Ų150139.2 Ų139.279%0.78576%0.759SS**  trans-111.2177.7-177.5-75.8166.9000110
110P39.2Very low35.1Very low109 Ų109135.9 Ų135.971%0.70875%0.754SS**  cis-125.6-143.9-46.741-23.8000107.5
111P35.9Very low35.4Very low100 Ų100137.6 Ų137.665%0.64976%0.76SS**  cis-122.1-147-24.538.8-17.3000109.3
112E32.7Very low35.7Very low156 Ų156136.9 Ų136.973%0.72976%0.755SS**  cis-161.6170.2-11.2-140.7154.893.100110
113I35.4Very low36.1Very low157 Ų157136.1 Ų136.181%0.80576%0.756SS**  trans63.4144.1163.5-56.8159.7000116.7
114A32.3Very low35.9Very low75 Ų75136.9 Ų136.962%0.6276%0.756SS**  cis-173.7154.7-41.800000108.4
115V34.4Very low36.5Very low138 Ų138136.8 Ų136.884%0.83676%0.761SS**  trans68.5137150.4162.30000117
116V39.7Very low36.4Very low107 Ų107132 Ų13265%0.64876%0.758SS**  cis-164.2151.4-1.9114.50000112.6
117E36.1Very low36.3Very low183 Ų183129.4 Ų129.486%0.85576%0.762SS**  trans51.9171.4153.6-62.2173.3156.900124.1
118E32.3Very low37Very low186 Ų186130.5 Ų130.587%0.86976%0.762SS**  trans-145.5-118.9-158.9-148.2160.9-144.800110.8
119P44.5Very low37Very low100 Ų100128.5 Ų128.565%0.64975%0.754SS**  -126.4-167.2-62.527.1-2.7000115.4
120E38.5Very low37.3Very low176 Ų176126.7 Ų126.782%0.82275%0.754SS**  trans92.8152.1151.9-43.4-158139.700124.7
121D39.5Very low37.2Very low149 Ų149126.2 Ų126.280%0.79775%0.753SS**  trans67.1144.9164-67.7-1000125.5
122D38.7Very low37.3Very low142 Ų142129.1 Ų129.176%0.75976%0.762SS**  cis-168.6175.3-32.7-162.716.3000112.3
123T39.6Very low37.8Very low125 Ų125128.4 Ų128.477%0.76777%0.768SS**  trans90147.1155.2-25.50000122.5
124D32Very low37.6Very low146 Ų146128.3 Ų128.378%0.78177%0.77SS**  trans-128.8-145.9-177.8-161.833.1000109
125P46.1Very low38.2Very low104 Ų104130 Ų13068%0.67577%0.774SS**  cis-142.2-175.2-13.245.3-25.4000119.1
126A34.6Very low38.1Very low98 Ų98127.7 Ų127.781%0.8177%0.77SS**  trans90.3153.4147.900000123
127G33.6Very low37.9Very low74 Ų74128.2 Ų128.276%0.76378%0.778SS**  trans-104.6-142.2-178.500000114.5
128P44.2Very low38Very low118 Ų118124.5 Ų124.577%0.76677%0.772SS**  cis-150.417515.443.5-22.5000120.2
129S33.6Very low38.5Very low105 Ų105122 Ų12273%0.73477%0.769SS**  trans70.3152.6140.967.10000125.9
130S39.5Very low38.4Very low113 Ų113125 Ų12579%0.7978%0.778SS**  trans82.5153.5158.6-64.10000120.2
131S37.3Very low38.3Very low99 Ų99123 Ų12369%0.69277%0.774SS**  cis-174.4151.1-20.554.60000114.2
132L38.5Very low38.2Very low160 Ų160123.4 Ų123.484%0.83877%0.772SS**  trans49.1122.5151-84.2161.7000122.5
133V43Very low38.2Very low141 Ų141122 Ų12286%0.85577%0.774SS**  174.3164.2102.3-77.60000113.5
134D31.7Very low38.3Very low156 Ų156125.8 Ų125.883%0.83478%0.783SS**  trans-134.8180179.1-108.6-41.2000108.2
135P44.7Very low38.2Very low109 Ų109127.3 Ų127.371%0.70879%0.785SS**  cis-139-171.7-35.239.7-21.3000114.6
136A31.9Very low37.7Very low91 Ų91128 Ų12875%0.75279%0.792SS**  trans89.4150.7142.100000125.3
137S35.6Very low37.4Very low118 Ų118129 Ų12983%0.82579%0.788SS**  trans89.8112154750000123
138S39.8Very low37.4Very low105 Ų105137.2 Ų137.273%0.73480%0.796SS**  164.7100.3128.864.90000111.2
139V41.5Very low36.8Very low132 Ų132137.4 Ų137.480%0.880%0.796SS**  65.2154.887.5-55.40000117.6
140I43.2Very low36.9Very low164 Ų164138.3 Ų138.384%0.84180%0.799SS**  trans86.2130176.1-56.2167.9000115
141D35.4Very low36.5Very low135 Ų135137.3 Ų137.372%0.72280%0.798SS**  cis-158.7172.6-21.6-166.126.5000112.5
142M38.4Very low36.2Very low156 Ų156139.2 Ų139.277%0.76881%0.805SS**  trans-45.3147.6-178.3-69.1156.440.200118.8
143S39.1Very low35.8Very low113 Ų113136.8 Ų136.879%0.7980%0.801SS**  -177.1137.6103.8430000117.3
144Q40.3Very low35.5Very low204 Ų204137.4 Ų137.495%0.95380%0.799SS**  trans65.7139.4157.8-67.6-170.4-4.500122.8
145E30.7Very low36Very low179 Ų179134.9 Ų134.984%0.83679%0.791SS**  trans-119137.8-170171-171.417200109.9
146S35.6Very low35.9Very low117 Ų117139 Ų13982%0.81880%0.798SS**  trans-157131154.3-158.60000112.2
147T28.1Very low36.9Very low120 Ų120140.5 Ų140.574%0.73679%0.789SS**  trans-66.4130.4-177.138.80000113.2
148R34Very low37.7Very low246 Ų246143.3 Ų143.393%0.92878%0.782SS**  trans-152.4133.5155.3-113.5162-166.8-177.24112.5
149T31.7Very low38.8Very low123 Ų123147.8 Ų147.876%0.75579%0.788SS**  trans-77.9148.4-177.643.80000112.1A151T149-A151 PolarHBondContact O-N 3.09Å
150P35.1Very low39.9Very low123 Ų123142.3 Ų142.380%0.79975%0.754SS**  trans-72.395.3169.929.9-32.9000109.3V152P150-V152 PolarHBondContact O-N 2.69Å; P150-V152 VanDerWaalsContact O-N 3.14Å
151A30.4Very low41.2Very low93 Ų93137.1 Ų137.177%0.76973%0.731SS**  trans-62.8114.6178.900000110.8T149 S153T149-A151 PolarHBondContact O-N 3.09Å; A151-S153 PolarHBondContact O-N 2.95Å
152V31.2Very low42.8Very low139 Ų139132.4 Ų132.484%0.84270%0.704SS**  trans-63.6107.8177.4177.90000109.3P150 L154P150-V152 PolarHBondContact O-N 2.69Å; P150-V152 VanDerWaalsContact O-N 3.14Å; V152-L154 PolarHBondContact O-N 2.95Å; V152-L154 VanDerWaalsContact O-N 3.15Å
153S31.5Very low43.7Very low109 Ų109128.5 Ų128.576%0.76269%0.687SS**  trans-66.5113.1179.759.30000110.7A151A151-S153 PolarHBondContact O-N 2.95Å
154L35.7Very low44.4Very low153 Ų153127.3 Ų127.380%0.80168%0.678SS**  trans-51.3137.9174.2-74.5162.9000111.1V152 K156V152-L154 PolarHBondContact O-N 2.95Å; V152-L154 VanDerWaalsContact O-N 3.15Å; L154-K156 PolarHBondContact O-N 3.36Å
155P42Very low44.6Very low103 Ų103123.3 Ų123.367%0.66967%0.67SS**  trans-64.9102.6179.926.3-33.7000110.1Q157P155-Q157 PolarHBondContact O-N 3.24Å
156K43.9Very low44.9Very low197 Ų197124.8 Ų124.886%0.85767%0.673SS**  trans-65.5114.9-170.6-156.2168-171.9171.60110.3L154 R158L154-K156 PolarHBondContact O-N 3.36Å; K156-R158 PolarHBondContact O-N 2.94Å
157Q51.5Low44.9Very low122 Ų122126.7 Ų126.757%0.5767%0.674SS**PPolyproline II helixtrans-54.3118.3-176.2-167.3-179.328.400110.8P155P155-Q157 PolarHBondContact O-N 3.24Å
158R52.2Low45.4Very low177 Ų177126.8 Ų126.867%0.66868%0.676SS**PPolyproline II helixtrans-71.5134175.5-75.7-176.671.3148.30.2109K156K156-R158 PolarHBondContact O-N 2.94Å
159K62.6Low45.2Very low198 Ų198124.1 Ų124.186%0.86167%0.674SS**PPolyproline II helixtrans-60.2143.3168.8-67.8-173.4177.1-175.60109.4
160N65.1Low45.6Very low17 Ų17125.4 Ų125.49%0.09168%0.677CS.*PPolyproline II helixtrans-56.5124.9176.6174.1-16.5000110F162 N163 A595 F608 K708 L710N160-F162 PolarHBondContact O-N 3.26Å; N160-F162 WeakPolarHBondContact OD1-CB 3.35Å; N160-F162 WeakPolarHBondContact OD1-CD2 3.49Å; N160-F162 WeakPolarHBondContact OD1-CG 3.38Å; N160-F162 PolarHBondContact OD1-N 3.35Å; N160-N163 PolarHBondContact ND2-ND2 2.86Å; N160-N163 VanDerWaalsContact ND2-ND2 3.18Å; N160-N163 PolarHBondContact O-N 3.43Å; N160-A595 WeakPolarHBondContact ND2-CB 3.13Å; N160-F608 HydrophobicContact CB-CE1 4.49Å; N160-K708 PolarHBondContact ND2-O 3.37Å; N160-L710 HydrophobicContact CB-CB 4.32Å; N160-L710 HydrophobicContact CB-CD1 4.38Å
161P71.8Confident45.6Very low55 Ų55127.4 Ų127.436%0.35768%0.675SS.*G310 helixtrans-62.7-26.8-174.726.4-35.6000113.6N163 S164 F608 I659P161-N163 PolarHBondContact O-N 2.91Å; P161-S164 PolarHBondContact O-OG 3.09Å; P161-F608 HydrophobicContact CG-CD1 4.34Å; P161-F608 HydrophobicContact CG-CD2 4.29Å; P161-F608 HydrophobicContact CG-CG 4.16Å; P161-I659 HydrophobicContact CG-CD1 4.1Å
162F68.9Low45.7Very low36 Ų36128.2 Ų128.216%0.15868%0.675CS.*G310 helixtrans-74.3-9.5-176.8-47.5-49.4000113.8N160 A595 D597 H606 F608N160-F162 PolarHBondContact O-N 3.26Å; N160-F162 WeakPolarHBondContact OD1-CB 3.35Å; N160-F162 WeakPolarHBondContact OD1-CD2 3.49Å; N160-F162 WeakPolarHBondContact OD1-CG 3.38Å; N160-F162 PolarHBondContact OD1-N 3.35Å; F162-A595 HydrophobicContact CD2-CB 3.87Å; F162-A595 HydrophobicContact CE2-CB 3.87Å; F162-D597 HydrophobicContact CB-CB 4.26Å; F162-D597 HydrophobicContact CD1-CB 3.5Å; F162-D597 VanDerWaalsContact CD1-CB 3.5Å; F162-D597 HydrophobicContact CD2-CB 3.77Å; F162-D597 HydrophobicContact CE1-CB 3.64Å; F162-D597 HydrophobicContact CE2-CB 3.88Å; F162-D597 HydrophobicContact CG-CB 3.58Å; F162-D597 HydrophobicContact CZ-CB 3.82Å; F162-H606 HydrophobicContact CE1-CB 3.97Å; F162-H606 HydrophobicContact CZ-CB 3.88Å; F162-F608 HydrophobicContact CE2-CB 3.62Å; F162-F608 HydrophobicContact CZ-CB 3.78Å
163N56.3Low45.9Very low75 Ų75129.2 Ų129.240%0.40168%0.675SS.*G310 helixtrans-113.626.6-174.8-65.3-68.6000113.6N160 P161 K708N160-N163 PolarHBondContact ND2-ND2 2.86Å; N160-N163 VanDerWaalsContact ND2-ND2 3.18Å; N160-N163 PolarHBondContact O-N 3.43Å; P161-N163 PolarHBondContact O-N 2.91Å; N163-K708 PolarHBondContact ND2-O 2.75Å
164S54.2Low46.1Very low87 Ų87132.9 Ų132.961%0.60868%0.68SS**PPolyproline II helixtrans-78.6127.5166.849.60000110.6P161 K166P161-S164 PolarHBondContact O-OG 3.09Å; S164-K166 PolarHBondContact O-N 3.5Å
165P43.9Very low46.2Very low120 Ų120133.9 Ų133.978%0.77968%0.68SS**PPolyproline II helixtrans-65.7129174.128.1-33.3000109.6L167P165-L167 PolarHBondContact O-N 3.37Å
166K38.3Very low45.7Very low210 Ų210135.6 Ų135.691%0.91369%0.689SS**PPolyproline II helixtrans-66.9117.7171-65.9-175.4178.7-175.10108.7S164S164-K166 PolarHBondContact O-N 3.5Å
167L35.3Very low45.3Very low158 Ų158135.5 Ų135.583%0.82769%0.689SS**PPolyproline II helixtrans-86.2146.8155-74169.6000108.1P165P165-L167 PolarHBondContact O-N 3.37Å
168P37.1Very low44.4Very low121 Ų121135.3 Ų135.379%0.78670%0.698SS**PPolyproline II helixtrans-63.1146.1176.9-20.633.3000111.9
169E30.7Very low43.4Very low190 Ų190134.5 Ų134.589%0.88870%0.702SS**PPolyproline II helixtrans-76.7124.2159.5-64.1175.1133.400107.4
170D39.1Very low42.2Very low151 Ų151132.8 Ų132.881%0.80770%0.697SS**  trans-142.9156.9162.5-146.4-23.1000109.8
171H35.6Very low40.9Very low165 Ų165136.1 Ų136.176%0.76472%0.721SS**  trans-97.5170.8-153.8-71.4-91.9000115.2
172S33.5Very low39.3Very low109 Ų109142.1 Ų142.176%0.76274%0.742SS**  trans78.996.716470.20000119.7
173L33.9Very low37.4Very low161 Ų161147.5 Ų147.584%0.84378%0.778SS**  24.9101120.6-61.5167.7000118.4
174Q36.9Very low36.3Very low185 Ų185147.5 Ų147.586%0.86480%0.796SS**  -177.6164.3104.9-98.717072.300115.1
175Q36.9Very low35.5Very low174 Ų174153.6 Ų153.681%0.81381%0.811SS**  trans-48.8145.5177.6-54.6159.7-15.100112.2
176T33.1Very low34.8Very low139 Ų139153 Ų15385%0.85382%0.816SS**  -170-17560.9-55.60000111
177K33.6Very low34.5Very low196 Ų196146.9 Ų146.985%0.85281%0.813SS**  trans-66.5161.4-172.9-83.3-177.6174.8178.60117
178P32.7Very low34.2Very low117 Ų117146 Ų14676%0.7681%0.809SS**  trans-109.5164.1-177.641.6-34.4000115.7
179E32.8Very low34Very low160 Ų160150 Ų15075%0.74881%0.814SS**  trans-147.3136.1154.4-86.5-153.2108.700110
180Q37.4Very low34Very low163 Ų163148.9 Ų148.976%0.76281%0.809SS**  53.2130.4105.5-53.3-157.66900115.5
181S36.6Very low33.8Very low86 Ų86149.7 Ų149.760%0.60181%0.811SS**  cis-169.9-1773.954.50000112.4
182K39.4Very low33.9Very low182 Ų182146.4 Ų146.479%0.79181%0.807SS**  trans80.699157.1-65163.4-173.2174.20120.9
183T28.8Very low34.1Very low148 Ų148150 Ų15091%0.90881%0.809SS**  42.3117.9113.6-45.20000120.3
184G32.9Very low34Very low76 Ų76151.5 Ų151.578%0.78481%0.811SS**  trans-164.155.8178.800000119.8
185K36.2Very low33.9Very low214 Ų214146.6 Ų146.693%0.9381%0.811SS**  trans51.4129.3149.2-159.2173.7-177.8-179.10121.9
186A29.9Very low33.5Very low107 Ų107146.7 Ų146.788%0.88481%0.812SS**  trans-51.9157.4178.600000119
187G31.7Very low33.5Very low82 Ų82146.6 Ų146.685%0.84581%0.805SS**  trans-157.996.2166.300000112.2
188L30Very low33.4Very low141 Ų141142 Ų14274%0.73880%0.798SS**  trans-77.5148.8170.6-176.375.5000109.8
189F33.3Very low33.3Very low204 Ų204145.2 Ų145.290%0.89580%0.803SS**  -175.8166.6129.2-89.6-53.7000111.9
190Q29.4Very low33.5Very low167 Ų167143 Ų14378%0.7881%0.805SS**  trans-144.4126.7-152.5173.5-173.61.500110.9
191I36.4Very low33.2Very low167 Ų167144.9 Ų144.986%0.85681%0.81SS**  trans-150.8144.1176.2-52.1-179.7000109.1
192S36Very low33.2Very low97 Ų97148.2 Ų148.268%0.67882%0.816SS**  cis-173.3163.8-39.6-87.90000109.3
193K37.6Very low33Very low183 Ų183147.1 Ų147.180%0.79681%0.812SS**  trans75.995.1161.9-54.4-158.8175.3-170.30120.4
194E32.3Very low33.4Very low193 Ų193145.3 Ų145.390%0.90281%0.805SS**  32.9138.8102.2-59.6162.9142.200121.1
195G34.7Very low33.6Very low83 Ų83147.1 Ų147.186%0.85681%0.805SS**  trans177.2126.8163.300000110.1
196E29.6Very low33.5Very low176 Ų176144.4 Ų144.482%0.82280%0.799SS**  trans-128.1162.2-160.9-139.4-170.4142.700114.5
197L33.2Very low34Very low137 Ų137145.2 Ų145.272%0.71780%0.796SS**  trans73.7110.3158.5-62.9168.3000122.3
198S30.9Very low34Very low100 Ų100147.6 Ų147.670%0.69979%0.789SS**  90.8135.6117.2-65.10000125.2
199E30Very low34.2Very low184 Ų184147.4 Ų147.486%0.8679%0.786SS**  trans53.5124.9152.6-60.1-168.4136.200120.9
200S37.1Very low34.3Very low113 Ų113143.7 Ų143.779%0.7978%0.782SS**  178137.764.9400000115.7
201K31.9Very low34.3Very low202 Ų202146.3 Ų146.388%0.87879%0.785SS**  36.5116.9129.8-166.8-178-168.3174.50122.7
202E36.3Very low34.3Very low156 Ų156147.1 Ų147.173%0.72979%0.785SS**  trans170.3158.9139.5-101.5-163.3175.200112.4
203K35.7Very low34.1Very low160 Ų160150.8 Ų150.870%0.69679%0.792SS**  cis-166.9167.6-17.7-144.4178-156.1152.60111.9
204S37.1Very low33.7Very low109 Ų109148.6 Ų148.676%0.76279%0.788SS**  trans72.8151.5154.980.60000119.1
205S36Very low33.7Very low114 Ų114147.3 Ų147.380%0.79778%0.782SS**  cis-160.1168.9-14.442.30000112.4
206I33.6Very low33.5Very low157 Ų157152.7 Ų152.781%0.80578%0.782SS**  trans-133.4145.4179.6-62168.1000109.3
207P41.8Very low33.7Very low124 Ų124149.8 Ų149.881%0.80578%0.778SS**  trans-110.6158.6157.237.1-27.8000112.9
208D31.1Very low33.5Very low132 Ų132151.8 Ų151.871%0.70678%0.781SS**  trans-142.1147.1-157.2-153.7-16.4000114
209M34.3Very low33.5Very low138 Ų138154.7 Ų154.768%0.6878%0.784SS**  trans58.5173.6164.1-100.7-10.585.100118.6R211M209-R211 HydrophobicContact SD-CG 4.13Å
210P35.5Very low33.4Very low125 Ų125152.6 Ų152.681%0.81278%0.784SS**  cis-126.8-175.814.942.2-25.3000117.5
211R29.4Very low33.1Very low222 Ų222153.1 Ų153.184%0.83878%0.782SS**  trans-117.2147-176.3-63.6168.5166.9171.6-5.8113.6M209M209-R211 HydrophobicContact SD-CG 4.13Å
212Q36Very low33Very low185 Ų185148.8 Ų148.886%0.86478%0.777SS**  trans-139.9136.9146.3-61.4-176.1-21.700105.7
213Q31Very low32.8Very low173 Ų173147.4 Ų147.481%0.80878%0.779SS**  58.2132.552.1-66.9-153.774.200112.2
214L30.4Very low32.6Very low137 Ų137148 Ų14872%0.71779%0.785SS**  cis-152.9150.63.3-16165.5000106
215E31.7Very low32.5Very low166 Ų166147.9 Ų147.978%0.77678%0.781SS**  179.1171.477.9-95.1-166.6164.500112.3
216K31.6Very low32.1Very low196 Ų196150.6 Ų150.685%0.85278%0.781SS**  trans-135.2152.9161.8-76.7-173.7177.1-177.80108.9
217P32.8Very low32.1Very low116 Ų116151 Ų15175%0.75379%0.785SS**  -130.51331215.116.5000115.4
218K29.8Very low31.6Very low179 Ų179149.5 Ų149.578%0.77878%0.783SS**  38117.9125.2-62.1176.6-177.7177.60118.9
219Q29.8Very low31.7Very low161 Ų161148.1 Ų148.175%0.75278%0.784SS**  85116.357.8-180-171.319.100113.8
220T28.3Very low31.8Very low140 Ų140150.5 Ų150.586%0.85979%0.793SS**  trans-152.4146.2152.2-70.80000107.8
221V30Very low31.9Very low123 Ų123150.6 Ų150.675%0.74579%0.791SS**  trans-132.9129.5-174.1174.50000110.1
222S30.4Very low32.7Very low112 Ų112148.7 Ų148.778%0.78379%0.789SS**  trans176.4149.1168.5-79.20000108.3
223T32Very low33.1Very low127 Ų127141.1 Ų141.178%0.77976%0.758SS**  cis-157.7160.5-19.9-67.50000106.7
224E31.7Very low33.7Very low173 Ų173136 Ų13681%0.80874%0.74SS**  trans-65.7173.2169.3-89.8-162.1129.500114.3
225P35.5Very low34.6Very low105 Ų105136 Ų13668%0.68274%0.739SS**  cis-134-125.7-33.437.6-18.3000110.9
226E27.9Very low35.2Very low171 Ų171132.1 Ų132.180%0.79973%0.728SS**  trans70.4105.3170.9-58.3-161.716500120
227N34Very low35.7Very low165 Ų165132.5 Ų132.588%0.88273%0.73SS**  -166.785.4127.7-112.3-79.4000112.1S229N227-S229 PolarHBondContact O-N 2.69Å; N227-S229 VanDerWaalsContact O-N 3.17Å
228A29.9Very low36Very low94 Ų94131.2 Ų131.278%0.77773%0.729SS**  trans-81.589.6176.400000111.4H230A228-H230 PolarHBondContact O-N 2.74Å
229S33.9Very low36.2Very low102 Ų102134.4 Ų134.471%0.71374%0.736SS**  trans-72.9110.7179.361.90000112.5N227 T231N227-S229 PolarHBondContact O-N 2.69Å; N227-S229 VanDerWaalsContact O-N 3.17Å; S229-T231 PolarHBondContact O-N 3.02Å
230H36.4Very low36.7Very low188 Ų188135.5 Ų135.587%0.8774%0.739SS**  trans-63.796179.6-72.4-90.3000112.5A228 K232A228-H230 PolarHBondContact O-N 2.74Å; H230-K232 PolarHBondContact O-N 3.38Å
231T38Very low37.1Very low127 Ų127136.6 Ų136.678%0.77974%0.738SS**  trans-72.787.5173.710.20000110.7S229 A233S229-T231 PolarHBondContact O-N 3.02Å; T231-A233 PolarHBondContact O-N 3.46Å
232K45.2Very low37.2Very low182 Ų182137.2 Ų137.279%0.79174%0.736SS**  trans-57.3126-178-167.9169.7-173168.50111.8H230H230-K232 PolarHBondContact O-N 3.38Å
233A44.1Very low37.2Very low26 Ų26142.1 Ų142.122%0.21574%0.739CS.*  trans-57.9140.7-178.900000112.3T231 I235 W757T231-A233 PolarHBondContact O-N 3.46Å; A233-I235 PolarHBondContact O-N 2.89Å; A233-W757 HydrophobicContact CB-CE3 4.01Å; A233-W757 HydrophobicContact CB-CH2 4.19Å; A233-W757 HydrophobicContact CB-CZ3 3.58Å
234P45.2Very low37.4Very low67 Ų67144.3 Ų144.344%0.43574%0.738SS.*  trans-73.896.1-177.829.6-34.3000111.2W757P234-W757 VanDerWaalsContact CD-CZ2 3.48Å; P234-W757 HydrophobicContact CG-CZ2 4.13Å
235I48.3Very low37.8Very low136 Ų136141.2 Ų141.270%0.69774%0.735SS**  trans-57125.1177.9-57.1173.8000109.8A233 K237A233-I235 PolarHBondContact O-N 2.89Å; I235-K237 PolarHBondContact O-N 3.28Å
236P44.2Very low37.8Very low84 Ų84142.8 Ų142.855%0.54574%0.738SS.*  trans-65.5117.817925.6-33.2000110.5A238P236-A238 PolarHBondContact O-N 2.79Å
237K43.1Very low38.3Very low205 Ų205142.4 Ų142.489%0.89174%0.741SS**  trans-66.4102173.8-78.5-173.2175.1-179.40110.1I235 R239I235-K237 PolarHBondContact O-N 3.28Å; K237-R239 PolarHBondContact O-N 3.24Å
238A37.4Very low38.6Very low88 Ų88142.1 Ų142.173%0.72774%0.739SS**  trans-52.312017200000110.6P236 K240P236-A238 PolarHBondContact O-N 2.79Å; A238-K240 VanDerWaalsContact C-N 3.27Å; A238-K240 PolarHBondContact O-N 3.24Å
239R35Very low39.2Very low246 Ų246145.6 Ų145.693%0.92874%0.739SS**  trans-75.480.6173.4-80.6-178.5165.4179-6.3109.7K237 L241K237-R239 PolarHBondContact O-N 3.24Å; R239-L241 PolarHBondContact O-N 2.97Å
240K39.3Very low39.5Very low185 Ų185149.5 Ų149.580%0.80474%0.743SS**  trans-60.3104.1160.6-75.1-168.3175.2-173.70108.2A238 I242A238-K240 VanDerWaalsContact C-N 3.27Å; A238-K240 PolarHBondContact O-N 3.24Å; K240-I242 VanDerWaalsContact C-N 3.25Å; K240-I242 HydrophobicContact CB-CG1 4.38Å; K240-I242 PolarHBondContact O-N 3.31Å
241L36.8Very low39.6Very low162 Ų162148.2 Ų148.285%0.84874%0.743SS**  trans-6891.7159.6-90.2165000107R239 Y243R239-L241 PolarHBondContact O-N 2.97Å; L241-Y243 VanDerWaalsContact C-N 3.3Å; L241-Y243 PolarHBondContact O-N 3.37Å
242I32Very low39.7Very low136 Ų136148 Ų14870%0.69774%0.737SS**  trans-70.395.2169.3-58.1176.5000106.5K240 K244K240-I242 VanDerWaalsContact C-N 3.25Å; K240-I242 HydrophobicContact CB-CG1 4.38Å; K240-I242 PolarHBondContact O-N 3.31Å; I242-K244 HydrophobicContact CG2-CG 4.34Å; I242-K244 PolarHBondContact O-N 2.84Å; I242-K244 VanDerWaalsContact O-N 3.07Å
243Y31.4Very low39.4Very low216 Ų216145.5 Ų145.585%0.84773%0.732SS**  trans-63105.8160.7-113.6-88.3000107.1L241 S245L241-Y243 VanDerWaalsContact C-N 3.3Å; L241-Y243 PolarHBondContact O-N 3.37Å; Y243-S245 VanDerWaalsContact C-N 3.29Å; Y243-S245 PolarHBondContact O-N 3.31Å
244K36.1Very low39.3Very low173 Ų173153 Ų15375%0.75276%0.762SS**  trans-75.586.5167.8-83.6-163.4169.3-1630108.8I242 N246I242-K244 HydrophobicContact CG2-CG 4.34Å; I242-K244 PolarHBondContact O-N 2.84Å; I242-K244 VanDerWaalsContact O-N 3.07Å; K244-N246 PolarHBondContact O-N 2.78Å
245S40.8Very low38.8Very low108 Ų108153.3 Ų153.376%0.75577%0.766SS**  trans-65.2105.6147.548.20000107.1Y243 D247Y243-S245 VanDerWaalsContact C-N 3.29Å; Y243-S245 PolarHBondContact O-N 3.31Å; S245-D247 PolarHBondContact O-N 3.41Å
246N34.2Very low38.1Very low138 Ų138155.9 Ų155.974%0.73877%0.773SS**  trans-74.9108.5165.9-74.4-9.4000107.1K244K244-N246 PolarHBondContact O-N 2.78Å
247D38.9Very low37.8Very low163 Ų163157.7 Ų157.787%0.87278%0.784SS**  trans-133.6156157-112.2-46.6000109.6S245S245-D247 PolarHBondContact O-N 3.41Å
248L41.6Very low37.5Very low159 Ų159158.6 Ų158.683%0.83278%0.782SS**  trans-106.6121.2-153.7-176.776000112
249E40.9Very low37.5Very low166 Ų166161.5 Ų161.578%0.77678%0.781SS**  trans-146.7161.7153.1-101.5-49.8160.500112
250K39.8Very low37.3Very low184 Ų184160.4 Ų160.480%0.878%0.777SS**  trans-91151.6-176.6-55.9160.6-177.5164.90111.3
251D39.9Very low37.2Very low161 Ų161163.1 Ų163.186%0.86178%0.782SS**  -160.1173.9105.7-142.7-6.1000112.7
252D39.2Very low37.1Very low123 Ų123161.4 Ų161.466%0.65877%0.773SS**  trans-93.6165.3-153.7-122.520.9000116.7
253N40.2Very low37.4Very low130 Ų130160.9 Ų160.970%0.69578%0.782SS**  trans56.9125.4150.2-61.4-43.8000119.8
254Q41.1Very low37.8Very low182 Ų182158.2 Ų158.285%0.8578%0.782SS**  -165.2177.652.7-129.5166.247.900114.1
255S33.7Very low38Very low74 Ų74157.9 Ų157.952%0.51779%0.788SS.*  trans-71.4169.6-177.547.10000114.9
256F35.2Very low37.9Very low191 Ų191157.2 Ų157.284%0.83879%0.789SS**  cis-154.7156.637.3-67.7-95.1000115
257P37.2Very low37.9Very low121 Ų121163.1 Ų163.179%0.78680%0.801SS**  trans-113.8157.8170.639.6-31.1000114.6
258R36.7Very low37.8Very low225 Ų225158.9 Ų158.985%0.84980%0.796SS**  trans-158.4129.5160.2-135174.6175.4150.55117.4
259Q37.7Very low37.8Very low149 Ų149155.8 Ų155.870%0.69679%0.793SS**  trans32.2114.7148.4-65.1169.2-62.600119.6
260R30.4Very low37.7Very low223 Ų223154 Ų15484%0.84280%0.796SS**  61.8119.678-80.9-160.1-172.1172.42.4116
261R37.8Very low37.9Very low242 Ų242157 Ų15791%0.91380%0.803SS**  -152.7143.3127.1-159.4168.5-63.4163.23.2110.6
262D33.7Very low37.9Very low125 Ų125152.5 Ų152.567%0.66879%0.794SS**  trans-100.4158.4-170.4-45.5-95.4000112.2
263S38.5Very low37.9Very low126 Ų126154.5 Ų154.588%0.88180%0.803SS**  trans-160.9139.6151.6-98.30000109.7
264L40.5Very low38Very low159 Ų159154.9 Ų154.983%0.83280%0.804SS**  trans-111.8179.9-177.2-77.7165.7000111.2
265N39.4Very low38.1Very low166 Ų166154.4 Ų154.489%0.88880%0.799SS**  trans87.3136.3179.6-49-36.8000114.2
266A38.4Very low38.5Very low94 Ų94162.2 Ų162.278%0.77782%0.817SS**  cis-144.4136.1-000000114.6
267R35.5Very low38.2Very low262 Ų262160.6 Ų160.699%0.98982%0.817SS**  trans36.891.2137.6-151.8179.1-156.7-150.56.6119.2
268G36.2Very low38.1Very low74 Ų74160.1 Ų160.176%0.76382%0.817SS**  trans-144.7124.6159.800000111.3
269A41.2Very low37.8Very low94 Ų94155.1 Ų155.178%0.77782%0.817SS**  trans-104.2123.4-166.400000113.8
270P40.3Very low37.5Very low130 Ų130153.6 Ų153.684%0.84482%0.823SS**  trans-88.9107.1177.133-31.9000112.2
271R44Very low37.5Very low247 Ų247148.6 Ų148.693%0.93282%0.822SS**  trans-92.5109.6173.2-62.5-172.585.4152.63.9110.5
272G39.9Very low37.5Very low66 Ų66142.9 Ų142.968%0.6882%0.819SS**  trans-80.3-160.8-16700000118.5
273I38.8Very low37.8Very low165 Ų165143.4 Ų143.485%0.84683%0.827SS**  trans75.5109.4169.2-48.2163.7000113.3
274L42.7Very low37.8Very low137 Ų137144.2 Ų144.272%0.71782%0.821SS**  -171.3144.875.1-170.960.9000114.2
275K42.8Very low37.7Very low172 Ų172142 Ų14275%0.74882%0.819SS**  trans52.789.9157.7-74.2169.8-176.6175.10121.1
276R41.4Very low37.5Very low238 Ų238142.8 Ų142.890%0.89882%0.818SS**  44.5114.6116.8-75.3-177.7158.7140.8-2.5119.9
277N30.1Very low37.4Very low157 Ų157144.4 Ų144.484%0.8482%0.818SS**  trans-59.6156.7145.5-73.9-20000111.3
278S33.5Very low37.5Very low112 Ų112139.4 Ų139.478%0.78381%0.81SS**  trans-149.786.4162.7-71.50000111.1
279S31.1Very low37.5Very low120 Ų120147.8 Ų147.884%0.83982%0.818SS**  trans-82.4125.3160.7-58.60000108.1
280S31.7Very low37.1Very low117 Ų117150.1 Ų150.182%0.81882%0.817SS**  trans-149.3105.4171.5-71.30000110.4
281S30.8Very low36.9Very low118 Ų118150.7 Ų150.783%0.82581%0.813SS**  trans-94.4114.2163.550.30000108.2
282S36.3Very low36.6Very low122 Ų122148.1 Ų148.185%0.85381%0.805SS**  trans-99.5105.3168.645.50000109.7
283T40.6Very low36.3Very low136 Ų136151.6 Ų151.683%0.83481%0.808SS**  trans-92.7133.1161.446.90000108.7
284D38.3Very low36.2Very low142 Ų142152 Ų15276%0.75981%0.811SS**  trans-141.1131.7163.3-164.8-4.9000109.1
285S37.7Very low35.9Very low114 Ų114152.4 Ų152.480%0.79781%0.814SS**  trans-177.570.4-174.5-73.20000110.3
286E35.8Very low35.8Very low182 Ų182148.2 Ų148.285%0.8580%0.804SS**  trans-66.8145.5164.2-63.1-163.4127.900111.4
287T37.4Very low35.7Very low127 Ų127145.7 Ų145.778%0.77980%0.8SS**  trans-152.497.1169.7-48.20000112
288L37.3Very low36Very low157 Ų157143.5 Ų143.582%0.82280%0.796SS**  trans22.6121.8149-56.4175.2000119.2
289R36.1Very low36.3Very low250 Ų250147.7 Ų147.794%0.94380%0.8SS**  trans-138.6147.9134.1-86-161163.588.9-3.2110.6
290L31.7Very low36.7Very low143 Ų143149.5 Ų149.575%0.74980%0.799SS**  trans-93154.3178.3-58.883.2000110.4
291N36.4Very low36.8Very low143 Ų143151.3 Ų151.377%0.76580%0.799SS**  -175.4122.5115-92.3-16.1000113.9
292Y37.2Very low36.8Very low193 Ų193150.9 Ų150.976%0.75780%0.796SS**  trans37.1120.1143.3-68.7-74.4000123.7
293N34.5Very low37Very low139 Ų139151.1 Ų151.174%0.74380%0.795SS**  96.5139.3125.8-71.8-14.9000122.9
294L37.3Very low36.5Very low173 Ų173148.2 Ų148.291%0.90679%0.792SS**  trans80105157.9-70.8156.9000119.3
295D36.3Very low36.4Very low146 Ų146149.1 Ų149.178%0.78180%0.796SS**  trans-101.7-175.6174.7-162.434.2000108.6
296P41Very low36.5Very low83 Ų83149.4 Ų149.454%0.53979%0.792SS.*  cis-130.1-177.1-28.416.58.4000114.1
297K37.7Very low36.9Very low186 Ų186148.3 Ų148.381%0.80979%0.791SS**  trans129.7154.1131.4-67.2-175.7-176.8167.60118
298S38.1Very low36.7Very low110 Ų110150 Ų15077%0.76979%0.79SS**  trans63.4116.7-177.542.70000115.9
299K38.9Very low36.8Very low200 Ų200148.7 Ų148.787%0.8778%0.779SS**  cis78.211047.2-69.5-174.8174.7-174.10114
300I38.9Very low36.9Very low158 Ų158146.6 Ų146.681%0.8177%0.771SS**  171.1132.7121.1-90.8159000113.3
301L35.2Very low37Very low156 Ų156146.7 Ų146.782%0.81777%0.771SS**  trans24.7141.3162-76.784.3000124.5
302S29.2Very low37.1Very low109 Ų109145.7 Ų145.776%0.76278%0.775SS**  trans-99.1158.2146.5-43.50000110
303P40.5Very low37Very low127 Ų127144.9 Ų144.983%0.82578%0.778SS**  -137.5176.691.928.5-9000112
304G30.7Very low37.3Very low75 Ų75147.3 Ų147.377%0.77378%0.783SS**  cis112.39911.600000110.5
305L37.2Very low37Very low161 Ų161147.5 Ų147.584%0.84378%0.779SS**  trans-148.9125-179-141.6158.9000110.6
306T39.9Very low36.9Very low119 Ų119149.3 Ų149.373%0.7378%0.78SS**  trans-112143.6-176.6-43.20000109.4
307I42.4Very low36.5Very low159 Ų159150.2 Ų150.282%0.81579%0.788SS**  trans-121.7138.6168.8-60.8-179.5000108.3
308H34.4Very low36.4Very low163 Ų163148 Ų14876%0.75578%0.784SS**  trans-137.1173.4-172.6-127.7-101.4000108.4
309E39.7Very low36.5Very low129 Ų129150 Ų15060%0.60378%0.781SS**  trans72.8153171.8-50.3-152.8139.300116.2
310R37.2Very low36.4Very low206 Ų206147.5 Ų147.578%0.77778%0.778SS**  cis-149169.4-9.4-127.9170.7-164.9137.89.5111
311I33.7Very low36.3Very low146 Ų146146.7 Ų146.775%0.74978%0.775SS**  trans-80.8153.1176-60.2152.7000110.1E313I311-E313 HydrophobicContact CG2-CG 4.06Å
312S39.1Very low36.3Very low122 Ų122143.7 Ų143.785%0.85377%0.767SS**  trans-147.3117.4154.2-169.90000110.1
313E34.3Very low36.6Very low175 Ų175143.5 Ų143.582%0.81877%0.766SS**  trans-104.7150.2171.4-64.1170.9141.400108.7I311I311-E313 HydrophobicContact CG2-CG 4.06Å
314K40.7Very low36.5Very low191 Ų191144 Ų14483%0.8377%0.767SS**  trans-155.1134.6158.6-161.6149.3-173.2169.20112.5
315E31.8Very low36.6Very low176 Ų176145.9 Ų145.982%0.82277%0.768SS**  trans-88.5170.9-179.3-55.8159.711100112.5
316F35.2Very low36.4Very low184 Ų184143.4 Ų143.481%0.80776%0.764SS**  trans159.8117.2145.3-87.3-59.7000107.3
317S32.6Very low36.3Very low102 Ų102145.8 Ų145.871%0.71377%0.772SS**  77.913382.6179.70000112.7
318L35.3Very low36Very low139 Ų139145.9 Ų145.973%0.72877%0.769SS**  cis-160.5-158.9-9.4-158.5110.1000108
319E40Very low36.5Very low152 Ų152144 Ų14471%0.7177%0.771SS**  trans72.7117.5174.7-41.6-73.3113.600114.2
320D37.1Very low36.5Very low148 Ų148144 Ų14479%0.79177%0.774SS**  78.2137.671.2-92.523.2000114.1
321D36.9Very low36.7Very low141 Ų141144.3 Ų144.375%0.75478%0.781SS**  cis-158-179.3-3.4-174.922.2000110.4
322S35Very low37.2Very low94 Ų94145 Ų14566%0.65778%0.781SS**  trans87.396.1159.273.30000120.4
323S35.7Very low37.6Very low104 Ų104146 Ų14673%0.72778%0.782SS**  trans23.6135.1133.166.70000120.2
324T37.9Very low37.7Very low137 Ų137148 Ų14884%0.8478%0.782SS**  -163.917060.840.20000114.4
325S31.8Very low37.5Very low115 Ų115149 Ų14980%0.80479%0.787SS**  trans-71.4147.5-176.755.10000117.8
326S34.6Very low38Very low109 Ų109145.4 Ų145.476%0.76278%0.781SS**  171.2111.8121.71780000115.4
327L37.6Very low38.1Very low169 Ų169141.7 Ų141.789%0.88579%0.785SS**  trans29.4145.4144.5-59.8175.4000124.2
328E34.7Very low38.7Very low161 Ų161143.6 Ų143.675%0.75279%0.792SS**  trans-70.8153.3176.3-57.1-176.9107.800115.9
329P46.3Very low38.7Very low124 Ų124145.5 Ų145.581%0.80579%0.794SS**  trans-106.299.7152.58.512.5000112.1
330L39.8Very low38.6Very low128 Ų128143 Ų14367%0.6779%0.786SS**  trans-61132.3169.7-82.7163.3000111.7H332L330-H332 PolarHBondContact O-N 2.95Å
331K41.1Very low38.5Very low214 Ų214143.7 Ų143.793%0.9378%0.784SS**  trans-72.581.5-178.9-72.1-176.1177.7176.80113.4
332H42.7Very low38.4Very low159 Ų159144.9 Ų144.974%0.73679%0.789SS**  trans-96.5121164.5-8593.6000111.4L330L330-H332 PolarHBondContact O-N 2.95Å
333V47.9Very low38.6Very low145 Ų145145.2 Ų145.288%0.87979%0.789SS**  trans-121.4124.1157.2178.40000107.5
334R36.7Very low38.6Very low215 Ų215149.4 Ų149.481%0.81180%0.798SS**  trans-111.7120.3-157.4-170.6179.1-171.9134.4-5.6110.7S336R334-S336 PolarHBondContact O-N 2.95Å
335F35.9Very low38.4Very low213 Ų213147.8 Ų147.893%0.93479%0.792SS**  trans-81.2112164.7-72.4-86.3000109.4
336S43.1Very low38.6Very low100 Ų100148.6 Ų148.670%0.69979%0.794SS**  trans-103.7120.2172.350.70000111R334R334-S336 PolarHBondContact O-N 2.95Å
337A37.6Very low38.9Very low107 Ų107154.4 Ų154.488%0.88480%0.799SS**  trans-86.8141.3160.100000108.8
338V44.2Very low39Very low142 Ų142151.8 Ų151.886%0.86179%0.793SS**  trans-113.8140173178.10000108.3
339K36.4Very low39Very low179 Ų179150.8 Ų150.878%0.77880%0.797SS**  trans-151.7141.6-177.9176.5172.5177.2-174.60111.4
340N37.3Very low38.4Very low100 Ų100152.4 Ų152.454%0.53580%0.798SS.*  trans73.4113.8167.4-78.936.6000120.1
341E34.7Very low38.1Very low161 Ų161149.8 Ų149.875%0.75280%0.802SS**  76.7117.5121.7-67161.5173.800122.1
342L35.2Very low37.9Very low166 Ų166147 Ų14787%0.86979%0.792SS**  22.7156.2126-100.968000121.2
343P39.2Very low37.5Very low102 Ų102146.7 Ų146.766%0.66279%0.791SS**  cis-143.8-17414.432.6-7.4000118.5
344Q36.6Very low37Very low192 Ų192146 Ų14690%0.89779%0.787SS**  trans89157.8159.5-50.9-163.6-6.400118.7
345S33.2Very low36.9Very low103 Ų103138.9 Ų138.972%0.7278%0.781SS**  trans-151.9169.5-165.668.50000110.1
346P36.8Very low37.1Very low131 Ų131136.3 Ų136.385%0.85177%0.772SS**  -134.1163.890.612.710000116.8
347R40.2Very low36.8Very low232 Ų232142 Ų14288%0.87578%0.784SS**  trans-73.6-178.2171.2-73.5174.3170.9173.6-5112.9
348P38.6Very low36.9Very low114 Ų114141.7 Ų141.774%0.7477%0.772SS**  cis-136.2-176-43.938.3-22.4000112.2
349V35.6Very low36.7Very low139 Ų139141 Ų14184%0.84277%0.768SS**  -167.8157.2121.9137.90000110.8
350L33.9Very low36.6Very low158 Ų158139.4 Ų139.483%0.82777%0.767SS**  trans-49.5142.5-177.8-163.369.2000114.5
351G32.8Very low36.6Very low74 Ų74143.1 Ų143.176%0.76378%0.781SS**  trans-132142170.300000111.1
352Q38.1Very low36.6Very low155 Ų155140.1 Ų140.172%0.72478%0.778SS**  trans-137.5141-172.3174.6174-31.300110.4
353E34.6Very low36.6Very low152 Ų152139.4 Ų139.471%0.7178%0.775SS**  trans61.2134.1162.4-74.4173.5128.100122.5
354V35.9Very low36.4Very low130 Ų130142.5 Ų142.579%0.78878%0.78SS**  trans46116.2134.8-172.40000120.7
355G35.9Very low36.5Very low67 Ų67139.6 Ų139.669%0.69177%0.771SS**  trans-143.3119.4138.200000106.6
356E39.7Very low36.8Very low158 Ų158141.6 Ų141.674%0.73877%0.768SS**  59.1109.578-70-154.2126.300114
357F37.2Very low36.7Very low219 Ų219142.3 Ų142.396%0.96177%0.765SS**  -148.9144.6129.6-98.7-72.2000108.1
358T38.9Very low36.5Very low102 Ų102134 Ų13463%0.62675%0.752SS**  trans-142.1169.8-149.4-22.10000110.3
359V39.5Very low36.5Very low128 Ų128135.3 Ų135.378%0.77676%0.758SS**  trans68.5136.7157159.60000115.4
360L35.7Very low36.8Very low144 Ų144137.2 Ų137.275%0.75476%0.758SS**  cis-140.9-171.3-15.9-107.9172000105.5
361E36.6Very low37.2Very low178 Ų178137.6 Ų137.683%0.83276%0.761SS**  cis-167.5150.739.4-162.7163.1-131.400109.8
362S33.8Very low37.7Very low98 Ų98138.2 Ų138.269%0.68576%0.759SS**  trans-126.6144.2-178.4-62.40000110.8
363D35.3Very low37.9Very low151 Ų151134.6 Ų134.681%0.80776%0.763SS**  164.6156119.1-93.20.3000113.4
364Q35.5Very low38.2Very low167 Ų167134.3 Ų134.378%0.7877%0.766SS**  176.6157115.8-99.1-168.680.200113.6
365L39Very low38.6Very low132 Ų132134.7 Ų134.769%0.69176%0.763SS**  trans79.1133.3163.9-54.2-161.5000118
366Q38.5Very low38.8Very low144 Ų144139.9 Ų139.967%0.67377%0.769SS**  cis-168.5170.7-16.9-145.2175.7-500111.6
367N35.5Very low38.8Very low146 Ų146137.8 Ų137.878%0.78176%0.759SS**  trans77.7130.7162.7-48.5-34.5000116.8
368G35.1Very low38.8Very low59 Ų59135.2 Ų135.261%0.60875%0.748SS**  cis173.1-175.1-500000111.9
369T38.6Very low38.7Very low140 Ų140136.6 Ų136.686%0.85975%0.747SS**  trans66.4130.3172.726.80000116.1
370E42Very low38.4Very low180 Ų180135.7 Ų135.784%0.84174%0.738SS**  cis-146.4163.44.4-80.5178.213400114
371D42.7Very low38.3Very low166 Ų166136.6 Ų136.689%0.88874%0.738SS**  trans94.7145.8147.1-148.119.6000123.3
372A44.5Very low38.4Very low87 Ų87134.5 Ų134.572%0.71974%0.739SS**  trans7959.4159.700000123.5
373G41.3Very low38.3Very low79 Ų79138.5 Ų138.581%0.81475%0.747SS**  trans71162.1140.600000120.9
374D40.7Very low38Very low146 Ų146138 Ų13878%0.78174%0.744SS**  cis-163144.1-11.2-163.313.5000110.5
375I45.7Very low37.8Very low138 Ų138135.1 Ų135.171%0.70874%0.742SS**  trans62.1156.4171.6-70.9167.6000116.1
376E39.7Very low37.5Very low175 Ų175137.1 Ų137.182%0.81875%0.748SS**  cis-168.2167.5-32.2-93.3-175.5164.300105.4
377E39Very low37.3Very low114 Ų114140.5 Ų140.553%0.53376%0.76SS.*  cis-157.5-176.7-42.8-146.1-8688.900105.9Q379E377-Q379 PolarHBondContact OE1-NE2 2.85Å; E377-Q379 PolarHBondContact OE2-NE2 3.15Å
378F38.4Very low37Very low166 Ų166139.6 Ų139.673%0.72876%0.76SS**  trans74.9101.5174.6-51.4-68.6000116
379Q36.2Very low37Very low131 Ų131142.4 Ų142.461%0.61277%0.768SS**  72.4136.565-64.1-178.653.400114.2E377E377-Q379 PolarHBondContact OE1-NE2 2.85Å; E377-Q379 PolarHBondContact OE2-NE2 3.15Å
380N33Very low36.5Very low108 Ų108144 Ų14458%0.57877%0.77SS**  cis-162.7158-4.4-122.6-35.1000113.2
381H34.2Very low36.2Very low164 Ų164139.6 Ų139.676%0.75976%0.759SS**  trans55.4131.4159.3-50.8-46.4000124.1
382P37Very low35.7Very low133 Ų133139.7 Ų139.786%0.86475%0.754SS**  trans-132.1164.1144.338.9-27.1000114.7
383E33.1Very low35.2Very low182 Ų182145.2 Ų145.285%0.8576%0.758SS**  trans-105.3160.8-178.8-79.4-165.7118.300115.9
384L28.4Very low35Very low141 Ų141149.2 Ų149.274%0.73876%0.755SS**  trans13.1126.1159.9-78.974.1000120.7
385S31.6Very low34.4Very low107 Ų107150.2 Ų150.275%0.74876%0.76SS**  -171121.1119.7-87.90000116.1
386H33.5Very low33.9Very low174 Ų174150.2 Ų150.281%0.80677%0.766SS**  trans31.4121.3145.7-51.5-69.1000122.3
387K32.8Very low33.7Very low214 Ų214147.1 Ų147.193%0.9376%0.763SS**  trans-127.6156148.5-91.4-176.1177.8174.90111.6
388T30.1Very low33.5Very low127 Ų127147.4 Ų147.478%0.77978%0.778SS**PPolyproline II helixtrans-75.1143.8-175.7440000114.3
389P33.8Very low33.5Very low119 Ų119145.5 Ų145.577%0.77378%0.782SS**PPolyproline II helixtrans-87.9134160.433.6-29.7000111.7
390L29.5Very low33.5Very low173 Ų173145.3 Ų145.391%0.90680%0.795SS**PPolyproline II helixtrans-80.8146.1142.9-81.582.8000107.3
391S35.2Very low33.7Very low87 Ų87147.5 Ų147.561%0.60881%0.807SS**  trans-128.5120.7166.451.70000110.9
392H31.5Very low33.8Very low169 Ų169144.7 Ų144.778%0.78281%0.806SS**  trans-103.3119.1173.8-174104.7000106.3
393Y34.9Very low33.9Very low203 Ų203141.4 Ų141.480%0.79680%0.796SS**  trans-118.2109.4-177.7-79.1-68.2000111.5
394Q36.3Very low34.2Very low163 Ų163143.4 Ų143.476%0.76280%0.796SS**  trans-82.3154.8157.9-66.7176-82.800109.4
395L29.4Very low34.6Very low167 Ų167144.6 Ų144.687%0.87480%0.797SS**  trans-72.4139174.1-79.467.9000110.7
396V35.2Very low34.9Very low138 Ų138148.8 Ų148.884%0.83680%0.797SS**  trans-135.6127.3156.8178.30000108.1
397S34.2Very low35Very low110 Ų110146.4 Ų146.477%0.76979%0.786SS**PPolyproline II helixtrans-81139.8176.8-53.50000111.1
398S36Very low35Very low120 Ų120143.9 Ų143.984%0.83978%0.778SS**PPolyproline II helixtrans-89.1133.6173.4-60.90000111.1
399P37.4Very low35.3Very low126 Ų126145.5 Ų145.582%0.81878%0.781SS**PPolyproline II helixtrans-89158.1174.535.7-34.3000112.6
400S36.4Very low35.2Very low126 Ų126148.4 Ų148.488%0.88179%0.786SS**PPolyproline II helixtrans-77.8144.6170.7-51.50000111.8
401D36.5Very low35.6Very low154 Ų154145.2 Ų145.282%0.82478%0.778SS**  trans-93.5-172.6178.2-157.1-2.4000113.1
402S37.8Very low35.6Very low106 Ų106146.4 Ų146.474%0.74179%0.787SS**  trans-151.1161.1-143.762.60000114.8
403G38.6Very low35.8Very low63 Ų63142.1 Ų142.165%0.64979%0.788SS**  trans-163.5111.4165.200000108.6
404R38.1Very low35.9Very low224 Ų224137.9 Ų137.985%0.84579%0.788SS**  73.1141.578.5-74.9-171.8178.7-138.53.4111.9
405E37.1Very low35.9Very low166 Ų166134.4 Ų134.478%0.77679%0.787SS**  cis-122.5158.419.7-70-178.6119.600111.7
406R37.5Very low36.6Very low196 Ų196131.8 Ų131.874%0.7478%0.78SS**  61.5132.463-111.6-162.3179.4-153.77.7111.4
407E36.4Very low36.7Very low124 Ų124135.1 Ų135.158%0.57978%0.777SS**  cis-145.613816-86.9-178.8176.100110.5
408Q33.9Very low36.9Very low161 Ų161135.3 Ų135.375%0.75277%0.77SS**  99.7162.686.5-163.5-176.699.600114
409L34.7Very low36.6Very low161 Ų161138 Ų13884%0.84377%0.769SS**  trans89.1149173.1-75.6153.2000119.3
410M33.4Very low36.7Very low180 Ų180140.1 Ų140.189%0.88777%0.772SS**  trans-117155.1-158.3-53.2-107-77.700111.5
411S36.6Very low36.6Very low106 Ų106139.9 Ų139.974%0.74177%0.767SS**  167.1137.2115.5-1640000114.8
412S35.9Very low36.3Very low112 Ų112137.9 Ų137.978%0.78376%0.764SS**  trans36.1127.3145.163.20000123
413G35.3Very low36.1Very low78 Ų78141.4 Ų141.480%0.80477%0.768SS**  trans170.9104.2156.900000117.4
414S36.8Very low36Very low115 Ų115142.7 Ų142.780%0.80477%0.768SS**  trans-32.9124.1173.450.10000120.9
415A36.4Very low35.8Very low89 Ų89139.4 Ų139.474%0.73677%0.767SS**  33.6166.699.600000121.4
416P44Very low35.7Very low112 Ų112139.2 Ų139.273%0.72777%0.77SS**  cis-141.2179.4-44.640.8-24.6000114.5
417R38.2Very low35.6Very low208 Ų208137 Ų13779%0.78577%0.771SS**  trans166.1130.8141.8-91.8-168175.9-86.89.1109.4
418D37.4Very low35.8Very low114 Ų114136.9 Ų136.961%0.6178%0.781SS**  63.4132.476.2-50.1-9.8000112.8
419E30.4Very low35.9Very low177 Ų177135.3 Ų135.383%0.82778%0.783SS**  cis-165.9152.8-11.8-99.4-172.9140.900106.5
420I38.3Very low36Very low170 Ų170130.4 Ų130.487%0.87277%0.772SS**  trans177.1151151-98.5153.8000112.2
421P35.2Very low36.5Very low121 Ų121128.4 Ų128.479%0.78677%0.772SS**  trans-105.9-176.6-1644.620000116.9
422C29.6Very low36.3Very low112 Ų112131.6 Ų131.676%0.75778%0.775SS**  trans-68.7152.7-175.2-58.50000115.7
423H35.2Very low36.2Very low180 Ų180132.2 Ų132.283%0.83378%0.778SS**  175.8154.7111.9-103.5-85.2000115.7
424S35.5Very low36.4Very low91 Ų91133.5 Ų133.564%0.63677%0.77SS**  trans63.2106.7154.352.30000123.5
425D34.8Very low36.4Very low154 Ų154135.8 Ų135.882%0.82477%0.768SS**  72.3150.8122.7-53.6-33.9000126.1
426I34.5Very low36.3Very low163 Ų163137 Ų13784%0.83677%0.771SS**  trans96.9141.4161.4-52.5-172.8000119
427L35.2Very low35.6Very low148 Ų148137.2 Ų137.278%0.77578%0.776SS**  trans-74.7164.5-175.2-74.682.4000115.6
428P41.1Very low35.5Very low122 Ų122133 Ų13379%0.79278%0.777SS**  trans-93.9155.314336.4-30.2000113.2
429T35.9Very low35.3Very low128 Ų128134 Ų13479%0.78579%0.788SS**  trans-115.3156.6-173.8-55.60000112.1
430G37Very low35.7Very low59 Ų59133 Ų13361%0.60879%0.786SS**  trans-83.1-174171.900000114.5
431P42.9Very low35.4Very low138 Ų138132.6 Ų132.690%0.89679%0.786SS**  trans-81.3140.9-18032.6-33.8000112.8
432Q33.6Very low35.2Very low173 Ų173129.4 Ų129.481%0.80878%0.775SS**  trans-101.1168172.1-68.8-175.6-6.800111.7
433C33.3Very low35.2Very low125 Ų125133 Ų13385%0.84578%0.781SS**  trans-130146.2141-1570000109.7
434V39.2Very low35Very low104 Ų104131.5 Ų131.563%0.6377%0.774SS**  trans-79.8167.7-170.5-76.70000112.4
435E36.3Very low34.9Very low164 Ų164134.3 Ų134.377%0.76678%0.777SS**  cis-154.2160.410.6-141.1158.5171.300114.6
436S34.9Very low34.7Very low114 Ų114135.1 Ų135.180%0.79777%0.773SS**  trans21.5139.5151.2-650000123.8
437S29.7Very low34.6Very low117 Ų117132.8 Ų132.882%0.81877%0.771SS**  trans-119.9140.3175.161.70000113.7
438S35.5Very low34.5Very low118 Ų118130 Ų13083%0.82577%0.765SS**  trans-150.7109.3165.441.70000114.8
439V33.3Very low34.1Very low136 Ų136131.1 Ų131.182%0.82476%0.759SS**  trans10.8129.5148.7-149.70000119.9
440I38.3Very low34Very low156 Ų156132.9 Ų132.980%0.876%0.756SS**  168.8111.7118.6-84.2161.4000112.7
441N31.5Very low33.6Very low161 Ų161135 Ų13586%0.86176%0.757SS**  trans52.6153.1137.8-149.121000124.4
442G32.1Very low33.1Very low54 Ų54136.8 Ų136.856%0.55775%0.751SS**  trans94.6126.2178.600000112.7
443Q28.9Very low32.9Very low188 Ų188135.6 Ų135.688%0.87975%0.749SS**  55.7128.951.3-58.3-170.2-59.300111.9
444Q31.8Very low33.1Very low149 Ų149134.8 Ų134.870%0.69674%0.742SS**  cis-159.1144.424.3-174.4175.2-13.800112.3
445E33.5Very low32.8Very low150 Ų150134.7 Ų134.770%0.70175%0.746SS**  trans59.3173.4155.4-77.3172.5-140.800120.8
446K29.8Very low32.6Very low170 Ų170134.7 Ų134.774%0.73975%0.746SS**  cis169.6136.6-41.8174.1-177.9175.8-171.40107.6
447S33.1Very low32.4Very low114 Ų114135.6 Ų135.680%0.79774%0.741SS**  trans67.8163.2173.991.30000114.9
448S31.8Very low32.6Very low91 Ų91136 Ų13664%0.63674%0.744SS**  cis-170.9-178.3-31.955.50000110.3
449H33.4Very low32.6Very low144 Ų144139.5 Ų139.567%0.66775%0.745SS**  trans76.8124.1149.9-97.5-131.9000120.6
450F33.6Very low32.8Very low166 Ų166138.7 Ų138.773%0.72875%0.745SS**  70.4148.3127.9-80.8-140.3000119.2
451T30Very low32.8Very low103 Ų103136.8 Ų136.863%0.63274%0.743SS**  cis-164.3168.2-28.2-3.30000109.2
452K32.4Very low32.9Very low176 Ų176134.7 Ų134.777%0.76574%0.741SS**  trans61112.5147.8-81.5-173.2165.8-173.80118.8
453L29.4Very low33.1Very low148 Ų148139.5 Ų139.578%0.77575%0.754SS**  103.316397.6-84176.2000112.1
454P37Very low33.6Very low107 Ų107138.8 Ų138.870%0.69575%0.751SS**  -122.5-152.1-127.347.5-37.8000114.1
455S32.5Very low33.9Very low102 Ų102138.3 Ų138.371%0.71375%0.752SS**  trans78.3148.7174.7-61.10000115.4
456E32.1Very low34Very low164 Ų164136.1 Ų136.177%0.76675%0.749SS**  cis-159.4169.9-23.8-118.2-166.8146.900109.7
457L30.4Very low34.1Very low133 Ų133136.6 Ų136.670%0.69675%0.754SS**  trans38114.5152.2-76.6159.8000121
458S35Very low34.1Very low125 Ų125137.1 Ų137.187%0.87476%0.756SS**  trans-148.1139.9131.564.60000111.2
459K34.7Very low34.3Very low192 Ų192136.5 Ų136.584%0.83576%0.764SS**  trans-109.8158.7179.4-62.9175.4178.6176.70110.4
460S38Very low34.2Very low119 Ų119137.4 Ų137.483%0.83277%0.769SS**  trans-147.1140.213650.20000110.3
461P38.9Very low34.5Very low116 Ų116134.8 Ų134.875%0.75377%0.769SS**  trans-111.6-178.8-175.141.5-32.8000113.5
462S31.7Very low34.7Very low118 Ų118137.8 Ų137.883%0.82578%0.775SS**  trans-86.1146.3165.6-51.80000111.3
463D38Very low35Very low155 Ų155134.4 Ų134.483%0.82977%0.771SS**  trans-158.5133.4170.2-117.2-36.1000110.5
464E38.8Very low35.2Very low173 Ų173132.7 Ų132.781%0.80877%0.772SS**  trans-162.2147.9140.7-131.3-171135.400111.9
465L37.6Very low35Very low138 Ų138135.5 Ų135.572%0.72378%0.776SS**  trans77.871.2162.9-70.7150.7000121
466T35.1Very low35.1Very low105 Ų105137.4 Ų137.464%0.64478%0.783SS**  78108.8109.7-60.60000122.5
467Q33.8Very low35.3Very low180 Ų180133.9 Ų133.984%0.84178%0.782SS**  trans67.2150.3142.8-71.9175.6-11.300120.1
468C32.7Very low35.4Very low125 Ų125134.4 Ų134.485%0.84579%0.785SS**  cis-156.6155.80.8-139.40000112.4
469G34.5Very low35.6Very low78 Ų78137.8 Ų137.880%0.80479%0.787SS**  trans117.3107.2152.300000118.7
470E33Very low35.3Very low163 Ų163133.3 Ų133.376%0.76278%0.78SS**  trans-145.6156.3166.8-128.8-75.9123.300106.3E472E470-E472 PolarHBondContact OE2-N 3Å
471P39Very low35.3Very low111 Ų111137.8 Ų137.872%0.72179%0.785SS**  -160.1137.9105.638-16.9000119.5
472E34.5Very low35.1Very low165 Ų165142.4 Ų142.477%0.77179%0.787SS**  trans64.7136.8130.8-81.5-79.192.600123.4E470E470-E472 PolarHBondContact OE2-N 3Å
473P37.8Very low35.1Very low105 Ų105142.4 Ų142.468%0.68278%0.778SS**  trans-118.4149.4175.240.5-30.3000117
474S34Very low35.1Very low112 Ų112144.6 Ų144.678%0.78378%0.783SS**  trans-168.9166.5166.957.40000113.8
475Q34Very low34.7Very low167 Ų167147.5 Ų147.578%0.7879%0.786SS**  cis-165.9164-32.7-103.1-178.863.700109.6
476T34.6Very low34.4Very low141 Ų141150.7 Ų150.787%0.86580%0.798SS**  trans67.8157174.1740000116.7
477A35Very low34.1Very low91 Ų91149.3 Ų149.375%0.75280%0.804SS**  cis-144.7-178.95.500000112.8
478D33.7Very low34.1Very low143 Ų143146.5 Ų146.577%0.76580%0.804SS**  trans-67.7156.1-172.5-61-90.8000118
479H37.8Very low34.4Very low196 Ų196149.9 Ų149.991%0.90781%0.808SS**  -172.3149.7111.9-94.6-61.8000111.8
480S29.5Very low34.6Very low98 Ų98154.5 Ų154.569%0.68581%0.808SS**  trans-123.1142.5-173.661.90000113.2
481F37Very low35Very low214 Ų214154.5 Ų154.594%0.93981%0.808SS**  trans-158.790154.8-92.6-60.7000114.3
482R34.6Very low35.1Very low213 Ų213153.7 Ų153.780%0.80480%0.795SS**  trans37.5124.7133.2-161169.4-167.9167.58.7123.5
483D32.8Very low35.9Very low117 Ų117146.3 Ų146.363%0.62676%0.762SS**  trans44.5121.5147.3-56-34.4000122.5
484H36.6Very low36.7Very low202 Ų202145.8 Ų145.894%0.93576%0.758SS**  -152.6154.5121.4-105.6-70000111.6
485R30.9Very low37.4Very low234 Ų234142.5 Ų142.588%0.88373%0.733SS**  trans-105.1129.3-169.2-70.1171126.4-146.81.9113.6
486Q31.8Very low38.4Very low205 Ų205137.6 Ų137.696%0.95871%0.712SS**  trans173.2147.7139.1-98.5166-54.800107.7
487G28.4Very low39.4Very low75 Ų75134.1 Ų134.177%0.77369%0.685SS**  cis151.1910.400000110.2
488S33.5Very low40.3Very low122 Ų122133 Ų13385%0.85367%0.669SS**  trans-135.8116-18055.90000110.6
489E39.1Very low41Very low195 Ų195129.6 Ų129.691%0.91165%0.65SS**  trans-105.4121.6-179.648-169.588.700110.2
490E38.5Very low41.5Very low175 Ų175124.4 Ų124.482%0.81863%0.626SS**  trans-75.1131.5-172.3-64.5-175.5125.900111.9H492E490-H492 PolarHBondContact O-CD2 2.8Å; E490-H492 PolarHBondContact O-N 2.92Å
491E41.1Very low42.4Very low164 Ų164127.5 Ų127.577%0.76662%0.623SS**  trans-86.282.2-169.8-164.1173.3-171.200112.9
492H41.4Very low42.9Very low93 Ų93123 Ų12343%0.43160%0.6SS.*  trans-47.6139175.1-71.1-123.1000112.3E490 K497 E500E490-H492 PolarHBondContact O-CD2 2.8Å; E490-H492 PolarHBondContact O-N 2.92Å; H492-K497 HydrophobicContact CB-CD 4.37Å; H492-K497 HydrophobicContact CB-CG 4.12Å; H492-K497 WeakPolarHBondContact O-CD 3.35Å; H492-K497 VanDerWaalsContact O-CE 3.25Å; H492-K497 WeakPolarHBondContact O-CE 3.48Å; H492-K497 PolarHBondContact O-NZ 2.96Å; H492-E500 IonicContact CE1-OE1 3.48Å; H492-E500 IonicContact ND1-OE1 2.69Å; H492-E500 PolarHBondContact ND1-OE1 2.93Å
493S51.8Low43.3Very low11 Ų11116.1 Ų116.18%0.07759%0.589CS.*  trans-62.9154.5-176.485.30000113V495 L496 K497S493-V495 PolarHBondContact O-N 3.46Å; S493-L496 PolarHBondContact O-N 2.87Å; S493-L496 PolarHBondContact OG-N 2.8Å; S493-K497 WeakPolarHBondContact O-CB 3.33Å; S493-K497 WeakPolarHBondContact O-CG 3.4Å; S493-K497 PolarHBondContact O-N 2.93Å
494P53.8Low43.9Very low94 Ų94114.8 Ų114.861%0.6159%0.593SS**THydrogen-bonded Turntrans-63.6-26.5178.525.4-34.2000113.2T498P494-T498 PolarHBondContact O-N 3.22Å; P494-T498 PolarHBondContact O-OG1 3.43Å
495V49.5Very low44.1Very low42 Ų42114.6 Ų114.626%0.25559%0.585SS.*THydrogen-bonded Turntrans-69.9-50.2175.4-172.90000110.4S493 K497 T498 L499 P782 Y850S493-V495 PolarHBondContact O-N 3.46Å; V495-K497 PolarHBondContact O-N 3.21Å; V495-T498 WeakPolarHBondContact O-CA 3.19Å; V495-T498 WeakPolarHBondContact O-CB 3.29Å; V495-T498 PolarHBondContact O-N 3.02Å; V495-L499 PolarHBondContact O-N 3.21Å; V495-P782 HydrophobicContact CG1-CG 4.16Å; V495-Y850 HydrophobicContact CG1-CE1 4.19Å; V495-Y850 HydrophobicContact CG1-CE2 3.98Å
496L54.9Low44.5Very low65 Ų65112.7 Ų112.734%0.3458%0.583SS.*Hα-helixtrans-61.3-45.1176.2-68.7177.6000111.5S493 T498 L499 E500 Y850S493-L496 PolarHBondContact O-N 2.87Å; S493-L496 PolarHBondContact OG-N 2.8Å; L496-T498 PolarHBondContact O-N 3.11Å; L496-L499 PolarHBondContact O-N 3.17Å; L496-E500 WeakPolarHBondContact O-CB 3.39Å; L496-E500 WeakPolarHBondContact O-CG 3.26Å; L496-E500 PolarHBondContact O-N 3.36Å; L496-Y850 HydrophobicContact CD2-CD1 4.36Å
497K54.7Low45.1Very low68 Ų68110.5 Ų110.530%0.29658%0.577SS.*Hα-helixtrans-58.6-14.7172.3-76.8168.8169.8145.30113.5H492 S493 V495 R501H492-K497 HydrophobicContact CB-CD 4.37Å; H492-K497 HydrophobicContact CB-CG 4.12Å; H492-K497 WeakPolarHBondContact O-CD 3.35Å; H492-K497 VanDerWaalsContact O-CE 3.25Å; H492-K497 WeakPolarHBondContact O-CE 3.48Å; H492-K497 PolarHBondContact O-NZ 2.96Å; S493-K497 WeakPolarHBondContact O-CB 3.33Å; S493-K497 WeakPolarHBondContact O-CG 3.4Å; S493-K497 PolarHBondContact O-N 2.93Å; V495-K497 PolarHBondContact O-N 3.21Å; K497-R501 WeakPolarHBondContact O-CD 3.41Å; K497-R501 VanDerWaalsContact O-CG 3.27Å; K497-R501 WeakPolarHBondContact O-CG 3.35Å; K497-R501 PolarHBondContact O-NH1 2.91Å
498T55Low45.5Very low67 Ų67112.8 Ų112.841%0.41158%0.578SS.*Hα-helixtrans-95.5-34.7174.1-58.90000112P494 V495 L496P494-T498 PolarHBondContact O-N 3.22Å; P494-T498 PolarHBondContact O-OG1 3.43Å; V495-T498 WeakPolarHBondContact O-CA 3.19Å; V495-T498 WeakPolarHBondContact O-CB 3.29Å; V495-T498 PolarHBondContact O-N 3.02Å; L496-T498 PolarHBondContact O-N 3.11Å
499L48.3Very low45.5Very low72 Ų72112.5 Ų112.538%0.37758%0.576SS.*Hα-helixtrans-71.6-45.7174.6-172.160.4000112.2V495 L496 R501 R502 A503V495-L499 PolarHBondContact O-N 3.21Å; L496-L499 PolarHBondContact O-N 3.17Å; L499-R501 VanDerWaalsContact C-N 3.32Å; L499-R501 PolarHBondContact O-N 2.86Å; L499-R502 WeakPolarHBondContact O-CA 3.34Å; L499-R502 WeakPolarHBondContact O-CB 3.27Å; L499-R502 PolarHBondContact O-N 2.99Å; L499-A503 PolarHBondContact O-N 2.85Å
500E48.2Very low45.6Very low87 Ų87113 Ų11341%0.40758%0.575SS.*Hα-helixtrans-58.7-41.3176.6-69.9168.9156.600111.8H492 L496 R502 A503 A504H492-E500 IonicContact CE1-OE1 3.48Å; H492-E500 IonicContact ND1-OE1 2.69Å; H492-E500 PolarHBondContact ND1-OE1 2.93Å; L496-E500 WeakPolarHBondContact O-CB 3.39Å; L496-E500 WeakPolarHBondContact O-CG 3.26Å; L496-E500 PolarHBondContact O-N 3.36Å; E500-R502 PolarHBondContact O-N 2.81Å; E500-A503 PolarHBondContact O-N 2.94Å; E500-A503 VanDerWaalsContact O-N 3.15Å; E500-A504 WeakPolarHBondContact O-CB 3.33Å; E500-A504 PolarHBondContact O-N 3.38Å
501R48.2Very low45.7Very low162 Ų162110.1 Ų110.161%0.61157%0.574SS**Hα-helixtrans-68.2-14.5175.8-70.9-176.8-171.8117.2-9.8114K497 L499 R505K497-R501 WeakPolarHBondContact O-CD 3.41Å; K497-R501 VanDerWaalsContact O-CG 3.27Å; K497-R501 WeakPolarHBondContact O-CG 3.35Å; K497-R501 PolarHBondContact O-NH1 2.91Å; L499-R501 VanDerWaalsContact C-N 3.32Å; L499-R501 PolarHBondContact O-N 2.86Å; R501-R505 PolarHBondContact O-NE 2.83Å
502R47.2Very low45.9Very low120 Ų120110.4 Ų110.445%0.45358%0.58SS.*Hα-helixtrans-87-47165.6-79.5174.2153.5159-7.1110.7L499 E500 A504 R505 T784L499-R502 WeakPolarHBondContact O-CA 3.34Å; L499-R502 WeakPolarHBondContact O-CB 3.27Å; L499-R502 PolarHBondContact O-N 2.99Å; E500-R502 PolarHBondContact O-N 2.81Å; R502-A504 VanDerWaalsContact C-N 3.32Å; R502-A504 PolarHBondContact O-N 2.95Å; R502-R505 PolarHBondContact O-N 3.48Å; R502-T784 PolarHBondContact NH2-OG1 2.82Å
503A44.8Very low45.9Very low69 Ų69114.7 Ų114.757%0.5760%0.601SS**Hα-helixtrans-60-36.8-179.800000113.5L499 E500 R505L499-A503 PolarHBondContact O-N 2.85Å; E500-A503 PolarHBondContact O-N 2.94Å; E500-A503 VanDerWaalsContact O-N 3.15Å; A503-R505 PolarHBondContact O-N 2.9Å
504A44Very low45.6Very low88 Ų88121.7 Ų121.773%0.72764%0.637SS**THydrogen-bonded Turntrans-69.24.7178.200000114.9E500 R502E500-A504 WeakPolarHBondContact O-CB 3.33Å; E500-A504 PolarHBondContact O-N 3.38Å; R502-A504 VanDerWaalsContact C-N 3.32Å; R502-A504 PolarHBondContact O-N 2.95Å
505R42.1Very low45.2Very low199 Ų199124.7 Ų124.775%0.75165%0.646SS**  trans-10646.7179.9-61.3-173.3-175.4-173.5-1.2113.4R501 R502 A503 L507R501-R505 PolarHBondContact O-NE 2.83Å; R502-R505 PolarHBondContact O-N 3.48Å; A503-R505 PolarHBondContact O-N 2.9Å; R505-L507 PolarHBondContact O-N 2.8Å
506K39.4Very low44.8Very low193 Ų193128.6 Ų128.684%0.83967%0.672SS**  trans-69.2110.3165-72.4-172.1177.1-179.90109.5
507L43.2Very low43.9Very low160 Ų160130.5 Ų130.584%0.83869%0.691SS**  trans-65.1129.1175.8-80157.1000110.7R505 S509R505-L507 PolarHBondContact O-N 2.8Å; L507-S509 PolarHBondContact O-N 3.4Å
508P36.1Very low43.2Very low123 Ų123134.9 Ų134.980%0.79972%0.718SS**  trans-76.793.8173.930.6-33.2000110.2K510P508-K510 PolarHBondContact O-N 3.39Å
509S35.1Very low42.5Very low116 Ų116136.5 Ų136.581%0.81173%0.732SS**  trans-76.9105.9172.655.90000111L507L507-S509 PolarHBondContact O-N 3.4Å
510K40.6Very low41.9Very low205 Ų205137.8 Ų137.889%0.89175%0.747SS**  trans-123.9122.9161.4-72.9-167.9175.4-173.20109.6P508P508-K510 PolarHBondContact O-N 3.39Å
511S40Very low41.4Very low115 Ų115139.6 Ų139.680%0.80476%0.759SS**  trans-78.4144.516746.90000110.2
512L45.1Very low40.9Very low170 Ų170139.9 Ų139.989%0.8977%0.768SS**  trans-146.991.2166.8-165.976.9000109.2
513E41.8Very low40.3Very low183 Ų183138.9 Ų138.986%0.85579%0.785SS**  trans-13198168.9-70.6176.6122.500105.7
514D45.9Very low39.9Very low157 Ų157144.2 Ų144.284%0.8480%0.796SS**  trans-176.3105.7159.2-95.2-29.6000108.4
515I44.8Very low39.8Very low157 Ų157145.1 Ų145.181%0.80579%0.792SS**  trans-133.6102.9169.7-58.9177.1000107.3
516P42.7Very low39.5Very low124 Ų124141.6 Ų141.681%0.80579%0.788SS**  trans-73137.7160.531.4-31.1000108.8
517S34.5Very low39.4Very low106 Ų106139.8 Ų139.874%0.74179%0.787SS**  trans-92.3136.8170.4-56.10000109.1
518D40.3Very low39.1Very low160 Ų160140 Ų14086%0.85679%0.788SS**  trans-167.6174.7132.3-113.6-37.4000114.2
519S39.5Very low39.4Very low100 Ų100139 Ų13970%0.69978%0.782SS**  trans-24.7130.5179.357.10000117.2
520S36Very low39.7Very low100 Ų100142.4 Ų142.470%0.69979%0.785SS**  cis79.1133.449.2-169.30000115.4
521N38.7Very low39.6Very low124 Ų124140 Ų14066%0.66378%0.777SS**  trans8699.7168.2-68.4-53.9000121.5
522Q37.9Very low39.6Very low169 Ų169140.5 Ų140.579%0.7977%0.77SS**  80.1138.7123.4-66.7-177.654.400122.6
523A34.8Very low39.3Very low99 Ų99137.7 Ų137.782%0.81876%0.76SS**  trans69148.6149.900000118.6
524K36Very low39.3Very low181 Ų181139.5 Ų139.579%0.78776%0.759SS**  cis-173.8165-20.8-172.2-165.1168.2-168.80105.6
525V41.9Very low38.9Very low106 Ų106137.1 Ų137.164%0.64276%0.755SS**  trans75.4142.5165.2-175.60000114.8
526D35.7Very low38.8Very low125 Ų125133.3 Ų133.367%0.66875%0.747SS**  cis-165.3-175.1-37.1-92-38.3000107.2
527N37.5Very low38.8Very low156 Ų156136.2 Ų136.283%0.83475%0.749SS**  trans99.380.3165.5-49.3-64000118.4
528L36.1Very low39Very low163 Ų163137.9 Ų137.985%0.85375%0.75SS**  trans-74.3-167.4137.8-83.5168000110.1
529P43.1Very low38.8Very low104 Ų104135.9 Ų135.968%0.67574%0.743SS**  cis-130178.2-38.132-14.4000113
530E40.1Very low38.5Very low186 Ų186135.9 Ų135.987%0.86974%0.743SS**  trans-179.8156.7140.1-99.2160.6-168.300108.1
531E39.9Very low38.5Very low156 Ų156136.7 Ų136.773%0.72974%0.744SS**  cis-150.21497.4-138.6-155.3137.600111.6
532L40.2Very low38.3Very low124 Ų124136.7 Ų136.765%0.64975%0.748SS**  trans49.8161.7158.9-64.1176.9000124.2
533V39Very low38.3Very low111 Ų111134.9 Ų134.967%0.67375%0.751SS**  175.9157.4-70.2153.70000111.4
534R40.6Very low38.5Very low221 Ų221135.1 Ų135.183%0.83475%0.747SS**  trans83141.1176.4-42.4-160.4167.189.45.2115.9
535S38.3Very low38.4Very low108 Ų108134.6 Ų134.676%0.75575%0.752SS**  cis-130.1146.23.3-67.20000110.3
536A41.6Very low38.3Very low77 Ų77135 Ų13564%0.63676%0.757SS**  62.9134.374.300000112.7
537E43.8Very low38.3Very low184 Ų184135.9 Ų135.986%0.8676%0.761SS**  cis-163.7173.59.9-95.4137.3-158.500108
538D37.4Very low38Very low142 Ų142134.8 Ų134.876%0.75976%0.755SS**  cis-165.1167.7-39.5-161.32.9000109.5
539V35.9Very low38Very low117 Ų117135.6 Ų135.671%0.70976%0.755SS**  trans37.5116.2166.2-159.80000120.9
540S34.6Very low37.6Very low101 Ų101141.2 Ų141.271%0.70677%0.769SS**  164120.4108.4-166.20000116.6
541T35.3Very low37.4Very low117 Ų117136.9 Ų136.972%0.71876%0.759SS**  trans45.6103.9133.6-34.90000122.1
542V35.7Very low37.5Very low124 Ų124137 Ų13775%0.75276%0.76SS**  trans47.6107.6142.4-171.90000119.6
543P37Very low37.6Very low131 Ų131135.7 Ų135.785%0.85176%0.758SS**PPolyproline II helixtrans-86.9125.2152.11.817.8000110.9
544S38.4Very low38Very low103 Ų103135.6 Ų135.672%0.7275%0.754SS**PPolyproline II helixtrans-75.1154.9169.551.60000112.5P546S544-P546 VanDerWaalsContact O-CD 3.3Å; S544-P546 WeakPolarHBondContact O-CD 3.32Å
545L33.5Very low38.3Very low171 Ų171134.4 Ų134.490%0.89576%0.755SS**PPolyproline II helixtrans-59.1128.2173.9-179.672.3000112.4
546P41.1Very low38.6Very low115 Ų115136 Ų13675%0.74775%0.754SS**  trans-110.9153.5165.711.810.4000113.1S544S544-P546 VanDerWaalsContact O-CD 3.3Å; S544-P546 WeakPolarHBondContact O-CD 3.32Å
547D35.3Very low38.9Very low142 Ų142140.8 Ų140.876%0.75976%0.761SS**  trans-71.5161.6-167.6-96.3-68.6000118.6
548N32Very low39.3Very low133 Ų133142.9 Ų142.971%0.71176%0.761SS**  trans44.2106.4147-72.7-56.9000120.8
549Q35.9Very low39.4Very low180 Ų180143.9 Ų143.984%0.84176%0.763SS**  trans-156.844.6144.6-120.7160.910400114.7S551Q549-S551 VanDerWaalsContact C-N 3.33Å; Q549-S551 PolarHBondContact O-N 3.09Å
550F33.7Very low39.5Very low222 Ų222142.9 Ų142.997%0.97476%0.761SS**  trans-92.547.7177.4-98.3-79.6000113.9
551S36.1Very low40Very low95 Ų95147.8 Ų147.866%0.66477%0.77SS**  trans-111.145.7-175.3590000113.9Q549Q549-S551 VanDerWaalsContact C-N 3.33Å; Q549-S551 PolarHBondContact O-N 3.09Å
552H41.9Very low40.2Very low159 Ų159147 Ų14774%0.73677%0.769SS**  trans-141125.8170.1-96.8-82.9000112.1D554H552-D554 VanDerWaalsContact C-N 3.33Å; H552-D554 IonicContact ND1-OD2 3.43Å; H552-D554 PolarHBondContact O-N 3.27Å
553P42.8Very low40.4Very low96 Ų96147.2 Ų147.262%0.62377%0.77SS**G310 helixtrans-77.9-9.1-17031-36.2000115.3K555P553-K555 PolarHBondContact O-N 2.84Å
554D47.8Very low40.6Very low109 Ų109146.2 Ų146.258%0.58376%0.764SS**G310 helixtrans-82.1-17.2-157.7-56.6-68.5000115.9H552H552-D554 VanDerWaalsContact C-N 3.33Å; H552-D554 IonicContact ND1-OD2 3.43Å; H552-D554 PolarHBondContact O-N 3.27Å
555K46.5Very low40.5Very low196 Ų196145.6 Ų145.685%0.85277%0.765SS**G310 helixtrans-86.2-20-176.9-74.4-178.6178.2173.10114.8P553 K557P553-K555 PolarHBondContact O-N 2.84Å; K555-K557 VanDerWaalsContact C-N 3.33Å; K555-K557 PolarHBondContact O-N 2.97Å
556L45.2Very low40.6Very low141 Ų141146.6 Ų146.674%0.73876%0.762SS**G310 helixtrans-71-22.4-176.7-89.3161.4000114.3R558L556-R558 PolarHBondContact O-N 2.92Å; L556-R558 VanDerWaalsContact O-N 3.09Å
557K46.9Very low40.5Very low179 Ų179148.9 Ų148.978%0.77877%0.768SS**G310 helixtrans-70.9-1.2-176.2-72.7175.6-179.3164.90115.4K555K555-K557 VanDerWaalsContact C-N 3.33Å; K555-K557 PolarHBondContact O-N 2.97Å
558R52.9Low40.5Very low227 Ų227147.8 Ų147.886%0.85776%0.758SS**G310 helixtrans-91.5-7.2-179.9-81.4-172.8175.7174.21.3115.9L556L556-R558 PolarHBondContact O-N 2.92Å; L556-R558 VanDerWaalsContact O-N 3.09Å
559M38.5Very low40.7Very low164 Ų164148.4 Ų148.481%0.80876%0.761SS**SBendtrans-100.3-10.5-176.1-68.8-179.869.900115.4K561M559-K561 PolarHBondContact O-N 3.24Å
560S39.2Very low40.8Very low96 Ų96144.4 Ų144.467%0.67174%0.743SS**  trans-77.552.8-175.7-49.60000114.9S562S560-S562 VanDerWaalsContact C-N 3.31Å; S560-S562 PolarHBondContact O-N 3.22Å
561K45.5Very low41.1Very low204 Ų204137 Ų13789%0.88772%0.722SS**THydrogen-bonded Turntrans-87.553.2176.8-66.9-174.8-179.61770112.7M559M559-K561 PolarHBondContact O-N 3.24Å
562S39.4Very low41.4Very low101 Ų101133.5 Ų133.571%0.70670%0.698SS**THydrogen-bonded Turntrans-136.4-0-173.354.40000116.1S560S560-S562 VanDerWaalsContact C-N 3.31Å; S560-S562 PolarHBondContact O-N 3.22Å
563V39Very low41.4Very low128 Ų128128.3 Ų128.378%0.77669%0.687SS**SBendtrans-112.7117.1178-175.80000110.4A565V563-A565 PolarHBondContact O-N 3.11Å
564P40.4Very low41.7Very low109 Ų109125.3 Ų125.371%0.70867%0.669SS**  trans-62.2131.9172.6-22.934.1000111.7F566P564-F566 PolarHBondContact O-N 3.05Å
565A36.8Very low41.8Very low91 Ų91122.7 Ų122.775%0.75266%0.656SS**  trans-76.662-179.800000112.5V563 L567V563-A565 PolarHBondContact O-N 3.11Å; A565-L567 PolarHBondContact O-N 2.93Å
566F35.8Very low41.9Very low191 Ų191116.2 Ų116.284%0.83863%0.63SS**THydrogen-bonded Turntrans-6713.1-170.2-172.5-109.1000115.9P564P564-F566 PolarHBondContact O-N 3.05Å
567L38.3Very low42.1Very low164 Ų164111 Ų11186%0.85961%0.605SS**THydrogen-bonded Turntrans-118.918.7-177.5-65.2177.5000113.6A565A565-L567 PolarHBondContact O-N 2.93Å
568Q36.8Very low42.1Very low119 Ų119102.7 Ų102.756%0.55657%0.569SS**  trans-141.358.9177.7-63.4-168.710.900113.5
569D35.4Very low42Very low145 Ų14595.7 Ų95.778%0.77554%0.543SS*.  trans-140.874.2161-159.510000110.2A571D569-A571 PolarHBondContact O-N 2.84Å
570E37.3Very low42.5Very low97 Ų9789.5 Ų89.545%0.45352%0.516SS..  trans-74.860.2174.6-76.7-144.9104.700111.7N834E570-N834 VanDerWaalsContact OE1-CB 3.31Å; E570-N834 WeakPolarHBondContact OE1-CB 3.13Å; E570-N834 PolarHBondContact OE1-N 3.13Å; E570-N834 PolarHBondContact OE1-ND2 3.02Å; E570-N834 PolarHBondContact OE2-ND2 3.49Å
571A41.7Very low42.9Very low66 Ų6686.8 Ų86.855%0.54550%0.504SS..  trans-95.894.8172.500000110D569 G573D569-A571 PolarHBondContact O-N 2.84Å; A571-G573 PolarHBondContact O-N 3.36Å
572S40.5Very low43.1Very low22 Ų2281.2 Ų81.215%0.15448%0.484CS..  trans-61.1103.6-176.6-173.30000112.1S574S572-S574 PolarHBondContact O-N 2.9Å
573G41.8Very low43.7Very low49 Ų4978.4 Ų78.451%0.50546%0.459SS..THydrogen-bonded Turntrans-7512.1-161.200000117.8A571 K642A571-G573 PolarHBondContact O-N 3.36Å; G573-K642 PolarHBondContact O-NZ 3.33Å
574S50.6Low44.3Very low34 Ų3474.3 Ų74.324%0.23844%0.442CS..THydrogen-bonded Turntrans-86.5-56.1-177.2-96.50000113.8S572 R768S572-S574 PolarHBondContact O-N 2.9Å; S574-R768 PolarHBondContact OG-NH2 3.1Å
575V50.3Low45Very low53 Ų5377.8 Ų77.832%0.32146%0.455SS..THydrogen-bonded Turntrans-128-21.1-172.5-147.90000114S577 V578 Y579 L634V575-S577 PolarHBondContact O-N 3.42Å; V575-V578 WeakPolarHBondContact O-CB 3.5Å; V575-V578 PolarHBondContact O-N 3.4Å; V575-Y579 HydrophobicContact CG1-CD2 4.11Å; V575-Y579 HydrophobicContact CG1-CE2 3.73Å; V575-L634 HydrophobicContact CG1-CD2 4.22Å
576M48.2Very low46.6Very low61 Ų6175.5 Ų75.530%0.343%0.43SS..THydrogen-bonded Turntrans-62.1-16.7-177.1-65.5-160.982.200114.4V578 Y579 S580M576-V578 VanDerWaalsContact C-N 3.26Å; M576-V578 PolarHBondContact O-N 3.04Å; M576-Y579 PolarHBondContact O-N 3.29Å; M576-S580 WeakPolarHBondContact O-CB 3.47Å; M576-S580 PolarHBondContact O-N 3.44Å; M576-S580 PolarHBondContact O-OG 3.31Å
577S48.3Very low48.7Very low31 Ų3170.7 Ų70.722%0.21741%0.41CS..THydrogen-bonded Turntrans-76.7-8173.154.90000114.4V575 Y632V575-S577 PolarHBondContact O-N 3.42Å; S577-Y632 PolarHBondContact OG-OH 3.48Å
578V47Very low50.9Low4 Ų463.8 Ų63.82%0.02437%0.374CS..THydrogen-bonded Turntrans-86.7-42.8166.2-177.40000109.7V575 M576 F583 Y632 L634 K718V575-V578 WeakPolarHBondContact O-CB 3.5Å; V575-V578 PolarHBondContact O-N 3.4Å; M576-V578 VanDerWaalsContact C-N 3.26Å; M576-V578 PolarHBondContact O-N 3.04Å; V578-F583 WeakPolarHBondContact O-CZ 3.27Å; V578-Y632 HydrophobicContact CG2-CD1 3.86Å; V578-Y632 HydrophobicContact CG2-CD2 3.79Å; V578-Y632 HydrophobicContact CG2-CE1 3.83Å; V578-Y632 HydrophobicContact CG2-CE2 3.79Å; V578-Y632 HydrophobicContact CG2-CG 3.84Å; V578-L634 HydrophobicContact CG1-CD1 4.44Å; V578-K718 WeakPolarHBondContact O-CE 3.37Å
579Y51.6Low53.4Low80 Ų8063.6 Ų63.631%0.31437%0.372SS..SBendtrans-99.513.3-172.3-57.7-80.7000115.6V575 M576 G581 M886V575-Y579 HydrophobicContact CG1-CD2 4.11Å; V575-Y579 HydrophobicContact CG1-CE2 3.73Å; M576-Y579 PolarHBondContact O-N 3.29Å; Y579-G581 PolarHBondContact O-N 2.85Å; Y579-G581 VanDerWaalsContact O-N 3.09Å; Y579-M886 HydrophobicContact CD2-CE 4.32Å; Y579-M886 HydrophobicContact CG-CE 4.31Å
580S48.8Very low56.1Low34 Ų3457.5 Ų57.524%0.23834%0.343CS..  trans-79.889.4177.7-76.30000111.3M576 D582 F583M576-S580 WeakPolarHBondContact O-CB 3.47Å; M576-S580 PolarHBondContact O-N 3.44Å; M576-S580 PolarHBondContact O-OG 3.31Å; S580-D582 PolarHBondContact O-N 3.46Å; S580-F583 WeakPolarHBondContact O-CE1 3.15Å; S580-F583 WeakPolarHBondContact O-CZ 3.4Å
581G46.4Very low59Low40 Ų4053.9 Ų53.941%0.41233%0.329SS..  trans-54.42.6-173.800000119.3Y579 F583Y579-G581 PolarHBondContact O-N 2.85Å; Y579-G581 VanDerWaalsContact O-N 3.09Å; G581-F583 PolarHBondContact O-N 2.58Å
582D49.7Very low61.6Low87 Ų8750.7 Ų50.747%0.46530%0.303SS..  trans-78.667.9167.4177.721000110.1S580 G584 R686S580-D582 PolarHBondContact O-N 3.46Å; D582-G584 VanDerWaalsContact C-N 3.28Å; D582-G584 PolarHBondContact O-N 2.9Å; D582-R686 WeakPolarHBondContact OD2-CD 3.36Å; D582-R686 IonicContact OD2-CZ 3.53Å; D582-R686 IonicContact OD2-NE 3.38Å; D582-R686 IonicContact OD2-NH1 3.35Å; D582-R686 PolarHBondContact OD2-NH1 3.02Å
583F53.6Low64.3Low42 Ų4250.4 Ų50.418%0.18430%0.299CS..  trans-96.957.2169.2-49.5-58000108.8V578 S580 G581 W679 F689 K718V578-F583 WeakPolarHBondContact O-CZ 3.27Å; S580-F583 WeakPolarHBondContact O-CE1 3.15Å; S580-F583 WeakPolarHBondContact O-CZ 3.4Å; G581-F583 PolarHBondContact O-N 2.58Å; F583-W679 HydrophobicContact CE1-CH2 4.13Å; F583-F689 HydrophobicContact CB-CB 4.26Å; F583-F689 HydrophobicContact CB-CD1 4.38Å; F583-F689 HydrophobicContact CD1-CB 3.74Å; F583-F689 HydrophobicContact CD1-CD1 4.43Å; F583-F689 HydrophobicContact CD1-CD2 4.23Å; F583-F689 AromaticContact CD1-CG 3.92Å; F583-F689 HydrophobicContact CD1-CG 3.92Å; F583-F689 HydrophobicContact CE1-CD2 4.49Å; F583-F689 HydrophobicContact CG-CB 4.38Å; F583-F689 HydrophobicContact CG-CG 4.44Å; F583-K718 HydrophobicContact CD2-CB 4.05Å; F583-K718 HydrophobicContact CD2-CD 4.38Å; F583-K718 HydrophobicContact CD2-CG 4.19Å; F583-K718 HydrophobicContact CE1-CD 4.28Å; F583-K718 HydrophobicContact CE2-CB 4.14Å; F583-K718 HydrophobicContact CE2-CD 3.64Å; F583-K718 HydrophobicContact CE2-CG 3.78Å; F583-K718 HydrophobicContact CZ-CD 3.6Å; F583-K718 HydrophobicContact CZ-CG 4.27Å
584G49.9Very low66.8Low42 Ų4248.2 Ų48.243%0.43328%0.275SS..  trans-46.9140.6-167.400000114.9D582 L586D582-G584 VanDerWaalsContact C-N 3.28Å; D582-G584 PolarHBondContact O-N 2.9Å; G584-L586 PolarHBondContact O-N 2.84Å
585N56.3Low68.9Low181 Ų18146.7 Ų46.797%0.96827%0.265SS*.SBendtrans-39.848.4-157.1-54.57.4000119.8
586L70.2Confident70.9Confident43 Ų4344.2 Ų44.223%0.22525%0.25CC..  trans-89.5138.5172.7-15177000110.1G584 V588 A616 A618 L690G584-L586 PolarHBondContact O-N 2.84Å; L586-V588 PolarHBondContact O-N 3.42Å; L586-A616 HydrophobicContact CD2-CB 3.68Å; L586-A616 HydrophobicContact CG-CB 4.25Å; L586-A618 HydrophobicContact CD2-CB 4.34Å; L586-L690 HydrophobicContact CD2-CD2 3.52Å
587E79.1Confident72.9Confident91 Ų9142.4 Ų42.443%0.42524%0.241SC..  trans-77.6107.3171.1178.2147.4-95.500110.8K589 A616 R717E587-K589 HydrophobicContact CG-CD 4.05Å; E587-K589 HydrophobicContact CG-CG 4.21Å; E587-K589 PolarHBondContact O-N 3.22Å; E587-K589 VanDerWaalsContact OE2-CE 3.26Å; E587-K589 WeakPolarHBondContact OE2-CE 3.42Å; E587-K589 IonicContact OE2-NZ 2.64Å; E587-K589 PolarHBondContact OE2-NZ 3.15Å; E587-A616 WeakPolarHBondContact O-CB 3.2Å; E587-R717 IonicContact OE1-CZ 2.65Å; E587-R717 IonicContact OE1-NH1 2.67Å; E587-R717 PolarHBondContact OE1-NH1 3.3Å; E587-R717 IonicContact OE1-NH2 2.74Å; E587-R717 PolarHBondContact OE1-NH2 3.39Å
588V85.3Confident75Confident18 Ų1841.5 Ų41.511%0.10923%0.233CC..  trans-60.1124.1172.5168.80000110.1L586 F689 L690 G691 L715 R717L586-V588 PolarHBondContact O-N 3.42Å; V588-F689 HydrophobicContact CG2-CD1 4.14Å; V588-F689 HydrophobicContact CG2-CE1 4.03Å; V588-L690 WeakPolarHBondContact CG1-O 3.3Å; V588-G691 VanDerWaalsContact CG1-CA 3.49Å; V588-L715 HydrophobicContact CG1-CB 3.86Å; V588-R717 HydrophobicContact CB-CG 3.76Å; V588-R717 HydrophobicContact CG2-CB 4.5Å; V588-R717 HydrophobicContact CG2-CG 3.93Å
589K88.6Confident77Confident115 Ų11543 Ų4350%0.524%0.242SC..  trans-142.6154.8-179.6-89.3164.6169.1158.70109.1E587 D614 L615 A616E587-K589 HydrophobicContact CG-CD 4.05Å; E587-K589 HydrophobicContact CG-CG 4.21Å; E587-K589 PolarHBondContact O-N 3.22Å; E587-K589 VanDerWaalsContact OE2-CE 3.26Å; E587-K589 WeakPolarHBondContact OE2-CE 3.42Å; E587-K589 IonicContact OE2-NZ 2.64Å; E587-K589 PolarHBondContact OE2-NZ 3.15Å; K589-D614 CarbonylContact C-O 3.18Å; K589-D614 VanDerWaalsContact C-O 3.32Å; K589-L615 WeakPolarHBondContact O-CA 3.27Å; K589-A616 PolarHBondContact O-N 3.44Å
590G93.5Very high78.8Confident17 Ų1743.6 Ų43.618%0.17525%0.248CC..  trans104.9-169.9173.500000115.3K613 D614 L715G590-K613 CarbonylContact C-O 3.41Å; G590-K613 WeakPolarHBondContact CA-O 3.31Å; G590-D614 WeakPolarHBondContact CA-O 3.36Å; G590-D614 PolarHBondContact N-O 2.81Å; G590-L715 PolarHBondContact O-N 3.46Å; G590-L715 VanDerWaalsContact O-N 3.08Å
591S96.5Very high80.8Confident21 Ų2147.2 Ų47.215%0.14727%0.274CS..EExtended strand (participates in β ladder)trans-146.5156.1-179.3-50.60000110.7C612 K613 Y713S591-C612 CarbonylContact O-C 3.54Å; S591-C612 WeakPolarHBondContact O-CA 2.94Å; S591-C612 WeakPolarHBondContact O-CB 3.25Å; S591-K613 PolarHBondContact N-O 3.08Å; S591-K613 PolarHBondContact O-N 3.15Å; S591-Y713 CarbonylContact C-O 3.59Å; S591-Y713 VanDerWaalsContact CA-O 3.23Å; S591-Y713 WeakPolarHBondContact CA-O 2.91Å; S591-Y713 VanDerWaalsContact CB-O 3.31Å; S591-Y713 WeakPolarHBondContact CB-O 3.39Å
592V97Very high82.9Confident0 Ų049.2 Ų49.20%027%0.274CS..EExtended strand (participates in β ladder)trans-118.6139.6174.558.80000110.3F594 L676 V693 Y713 L715V592-F594 HydrophobicContact CG1-CD1 4.05Å; V592-F594 HydrophobicContact CG1-CE1 4.04Å; V592-F594 HydrophobicContact CG2-CD1 4.22Å; V592-L676 HydrophobicContact CG1-CD2 3.96Å; V592-L676 HydrophobicContact CG2-CD2 4.14Å; V592-V693 HydrophobicContact CG1-CG2 3.63Å; V592-Y713 PolarHBondContact N-O 3.41Å; V592-Y713 PolarHBondContact O-N 3.11Å; V592-L715 HydrophobicContact CB-CD2 4.24Å; V592-L715 HydrophobicContact CG1-CD2 3.77Å
593Q96.7Very high84.9Confident16 Ų1650.2 Ų50.28%0.07528%0.275CS..EExtended strand (participates in β ladder)trans-107.8121.4176.4-149.1-168.13.800110A610 Q611 L710 K711 W712Q593-A610 PolarHBondContact O-N 2.69Å; Q593-Q611 HydrophobicContact CB-CG 3.97Å; Q593-Q611 PolarHBondContact N-O 2.82Å; Q593-Q611 PolarHBondContact O-N 3.14Å; Q593-L710 HydrophobicContact CG-CD2 4.43Å; Q593-L710 HydrophobicContact CG-CG 3.93Å; Q593-L710 PolarHBondContact NE2-O 3.5Å; Q593-K711 WeakPolarHBondContact CA-O 3.25Å; Q593-K711 WeakPolarHBondContact CG-O 3.23Å; Q593-W712 HydrophobicContact CB-CD2 3.71Å; Q593-W712 HydrophobicContact CB-CE3 3.67Å; Q593-W712 HydrophobicContact CB-CG 4.4Å; Q593-W712 HydrophobicContact CB-CH2 3.91Å; Q593-W712 HydrophobicContact CB-CZ2 3.93Å; Q593-W712 HydrophobicContact CB-CZ3 3.76Å; Q593-W712 HydrophobicContact CG-CD2 3.65Å; Q593-W712 HydrophobicContact CG-CE3 4.15Å; Q593-W712 HydrophobicContact CG-CG 3.88Å; Q593-W712 HydrophobicContact CG-CZ2 4.14Å
594F95.7Very high86.7Confident2 Ų249 Ų491%0.00927%0.269CS..EExtended strand (participates in β ladder)trans-149.8168.9177.266.9-86.5000112.1V592 L596 V607 F608 L674 L676 V693 L695 K711 Y713V592-F594 HydrophobicContact CG1-CD1 4.05Å; V592-F594 HydrophobicContact CG1-CE1 4.04Å; V592-F594 HydrophobicContact CG2-CD1 4.22Å; F594-L596 HydrophobicContact CD2-CD2 4.02Å; F594-L596 HydrophobicContact CD2-CG 4.36Å; F594-L596 HydrophobicContact CE2-CD2 4.02Å; F594-L596 HydrophobicContact CE2-CG 4.2Å; F594-V607 HydrophobicContact CD2-CG1 4.33Å; F594-F608 CarbonylContact C-O 3.54Å; F594-F608 WeakPolarHBondContact CA-O 3.25Å; F594-F608 WeakPolarHBondContact CB-O 3.33Å; F594-L674 HydrophobicContact CE2-CD2 4.3Å; F594-L676 HydrophobicContact CD1-CD1 3.78Å; F594-L676 HydrophobicContact CD2-CD1 4.2Å; F594-L676 HydrophobicContact CE1-CD1 3.83Å; F594-L676 HydrophobicContact CE2-CD1 4.25Å; F594-L676 HydrophobicContact CG-CD1 3.96Å; F594-L676 HydrophobicContact CZ-CD1 4.06Å; F594-V693 HydrophobicContact CE1-CG1 4.37Å; F594-V693 HydrophobicContact CZ-CG1 4.33Å; F594-L695 HydrophobicContact CE2-CD1 3.6Å; F594-L695 HydrophobicContact CZ-CD1 3.53Å; F594-L695 HydrophobicContact CZ-CG 4.31Å; F594-K711 PolarHBondContact N-O 2.93Å; F594-K711 VanDerWaalsContact N-O 3.09Å; F594-K711 PolarHBondContact O-N 3.23Å; F594-Y713 AromaticContact CD1-CD2 3.64Å; F594-Y713 HydrophobicContact CD1-CD2 3.64Å; F594-Y713 HydrophobicContact CD1-CE2 4.1Å; F594-Y713 HydrophobicContact CD2-CE2 4.5Å; F594-Y713 AromaticContact CE1-CD2 3.2Å; F594-Y713 HydrophobicContact CE1-CD2 3.2Å; F594-Y713 AromaticContact CE1-CE2 3.73Å; F594-Y713 HydrophobicContact CE1-CE2 3.73Å; F594-Y713 AromaticContact CE1-CG 3.75Å; F594-Y713 HydrophobicContact CE1-CG 3.75Å; F594-Y713 HydrophobicContact CE2-CD2 4.44Å; F594-Y713 HydrophobicContact CE2-CE2 4.15Å; F594-Y713 HydrophobicContact CG-CD2 4.44Å; F594-Y713 HydrophobicContact CG-CE2 4.48Å; F594-Y713 AromaticContact CZ-CD2 3.67Å; F594-Y713 HydrophobicContact CZ-CD2 3.67Å; F594-Y713 AromaticContact CZ-CE2 3.76Å; F594-Y713 HydrophobicContact CZ-CE2 3.76Å; F594-Y713 HydrophobicContact CZ-CG 4.17Å
595A93.6Very high88.8Confident2 Ų247 Ų472%0.01725%0.249CC..EExtended strand (participates in β ladder)trans-134.7152.3171.400000109.9N160 F162 F608 Q709 L710N160-A595 WeakPolarHBondContact ND2-CB 3.13Å; F162-A595 HydrophobicContact CD2-CB 3.87Å; F162-A595 HydrophobicContact CE2-CB 3.87Å; A595-F608 PolarHBondContact N-O 2.92Å; A595-F608 PolarHBondContact O-N 2.8Å; A595-Q709 WeakPolarHBondContact CB-O 3.3Å; A595-L710 HydrophobicContact CB-CD1 3.87Å
596L93.1Very high90.5Very high1 Ų138.8 Ų38.81%0.00521%0.205CC..EExtended strand (participates in β ladder)trans-114.2134.5173.7-56-177.2000109.2F594 V607 L674 L695 L697 W700F594-L596 HydrophobicContact CD2-CD2 4.02Å; F594-L596 HydrophobicContact CD2-CG 4.36Å; F594-L596 HydrophobicContact CE2-CD2 4.02Å; F594-L596 HydrophobicContact CE2-CG 4.2Å; L596-V607 HydrophobicContact CD2-CB 4.11Å; L596-V607 HydrophobicContact CD2-CG1 3.79Å; L596-V607 HydrophobicContact CD2-CG2 3.81Å; L596-L674 HydrophobicContact CD1-CD2 3.96Å; L596-L674 HydrophobicContact CD2-CD2 3.5Å; L596-L674 VanDerWaalsContact CD2-CD2 3.5Å; L596-L674 HydrophobicContact CG-CD2 4.37Å; L596-L695 HydrophobicContact CD1-CD1 4.01Å; L596-L697 HydrophobicContact CD1-CD2 4.03Å; L596-W700 HydrophobicContact CB-CZ2 3.9Å; L596-W700 HydrophobicContact CD1-CD2 4.14Å; L596-W700 HydrophobicContact CD1-CE3 4.35Å; L596-W700 HydrophobicContact CD1-CH2 4.09Å; L596-W700 HydrophobicContact CD1-CZ2 3.86Å; L596-W700 HydrophobicContact CD1-CZ3 4.34Å; L596-W700 HydrophobicContact CG-CH2 4.4Å; L596-W700 HydrophobicContact CG-CZ2 4.05Å
597D90.7Very high91.7Very high24 Ų2436.8 Ų36.813%0.12819%0.194CC..EExtended strand (participates in β ladder)trans-142.3154.3164.2-165.423.7000110F162 H606 K708F162-D597 HydrophobicContact CB-CB 4.26Å; F162-D597 HydrophobicContact CD1-CB 3.5Å; F162-D597 VanDerWaalsContact CD1-CB 3.5Å; F162-D597 HydrophobicContact CD2-CB 3.77Å; F162-D597 HydrophobicContact CE1-CB 3.64Å; F162-D597 HydrophobicContact CE2-CB 3.88Å; F162-D597 HydrophobicContact CG-CB 3.58Å; F162-D597 HydrophobicContact CZ-CB 3.82Å; D597-H606 PolarHBondContact N-O 3.05Å; D597-H606 PolarHBondContact O-N 2.78Å; D597-K708 IonicContact OD1-NZ 3.31Å; D597-K708 PolarHBondContact OD1-NZ 2.82Å
598Y91.3Very high92.5Very high11 Ų1132.7 Ų32.74%0.04318%0.175CC..EExtended strand (participates in β ladder)trans-120.7115180174.9-103.8000110.2E600 E604 L605 I664 R666 L669Y598-E600 HydrophobicContact CE1-CB 4.46Å; Y598-E600 VanDerWaalsContact CE1-CD 3.48Å; Y598-E600 VanDerWaalsContact CE1-OE1 3.23Å; Y598-E600 WeakPolarHBondContact CE1-OE1 3.31Å; Y598-E600 WeakPolarHBondContact CE1-OE2 3.21Å; Y598-E600 PolarHBondContact O-N 2.99Å; Y598-E600 PolarHBondContact OH-OE1 2.76Å; Y598-E604 VanDerWaalsContact CD2-C 3.48Å; Y598-E604 WeakPolarHBondContact CD2-O 3.36Å; Y598-L605 HydrophobicContact CD2-CB 4.31Å; Y598-I664 WeakPolarHBondContact CE2-O 3.33Å; Y598-R666 HydrophobicContact CD1-CB 4.39Å; Y598-R666 HydrophobicContact CD1-CG 4.4Å; Y598-R666 HydrophobicContact CE1-CB 3.65Å; Y598-R666 HydrophobicContact CE1-CG 4.12Å; Y598-R666 PolarHBondContact OH-N 3.36Å; Y598-R666 VanDerWaalsContact OH-N 3.13Å; Y598-L669 HydrophobicContact CD2-CD1 3.33Å; Y598-L669 HydrophobicContact CE2-CD1 3.68Å; Y598-L669 HydrophobicContact CG-CD1 3.84Å
599V90.5Very high93.1Very high35 Ų3531.9 Ų31.921%0.21217%0.17CC..EExtended strand (participates in β ladder)trans-92.191.3-173.5-174.60000108.9S601 L602 K603 E604V599-S601 VanDerWaalsContact C-N 3.28Å; V599-S601 PolarHBondContact O-N 2.86Å; V599-L602 HydrophobicContact CB-CB 4.43Å; V599-L602 HydrophobicContact CB-CD1 4.47Å; V599-L602 HydrophobicContact CG1-CB 4.12Å; V599-L602 HydrophobicContact CG1-CD1 3.89Å; V599-L602 HydrophobicContact CG1-CG 3.82Å; V599-L602 PolarHBondContact O-N 2.94Å; V599-K603 PolarHBondContact O-N 2.89Å; V599-K603 VanDerWaalsContact O-N 3.11Å; V599-E604 PolarHBondContact N-O 2.7Å; V599-E604 PolarHBondContact O-N 3.03Å
600E89.2Confident93.4Very high93 Ų9326.4 Ų26.444%0.43515%0.146SC..G310 helixtrans-50.9-45.1-176-160.169.1-10600112.8Y598 L602 K603 R666Y598-E600 HydrophobicContact CE1-CB 4.46Å; Y598-E600 VanDerWaalsContact CE1-CD 3.48Å; Y598-E600 VanDerWaalsContact CE1-OE1 3.23Å; Y598-E600 WeakPolarHBondContact CE1-OE1 3.31Å; Y598-E600 WeakPolarHBondContact CE1-OE2 3.21Å; Y598-E600 PolarHBondContact O-N 2.99Å; Y598-E600 PolarHBondContact OH-OE1 2.76Å; E600-L602 PolarHBondContact O-N 2.82Å; E600-L602 VanDerWaalsContact O-N 3.1Å; E600-K603 PolarHBondContact O-N 2.8Å; E600-K603 VanDerWaalsContact O-N 3.07Å; E600-R666 IonicContact OE2-CZ 2.66Å; E600-R666 IonicContact OE2-NE 3.51Å; E600-R666 PolarHBondContact OE2-NE 2.98Å; E600-R666 IonicContact OE2-NH2 2.77Å; E600-R666 PolarHBondContact OE2-NH2 2.97Å
601S90.9Very high93.6Very high111 Ų11127.4 Ų27.478%0.77615%0.146SC*.G310 helixtrans-64.5-14.5-179.856.20000114.8V599V599-S601 VanDerWaalsContact C-N 3.28Å; V599-S601 PolarHBondContact O-N 2.86Å
602L90.7Very high93.7Very high82 Ų8226.5 Ų26.543%0.42914%0.14SC..G310 helixtrans-110.2-9.4175.5-62-178.5000113.1V599 E600 E604V599-L602 HydrophobicContact CB-CB 4.43Å; V599-L602 HydrophobicContact CB-CD1 4.47Å; V599-L602 HydrophobicContact CG1-CB 4.12Å; V599-L602 HydrophobicContact CG1-CD1 3.89Å; V599-L602 HydrophobicContact CG1-CG 3.82Å; V599-L602 PolarHBondContact O-N 2.94Å; E600-L602 PolarHBondContact O-N 2.82Å; E600-L602 VanDerWaalsContact O-N 3.1Å; L602-E604 VanDerWaalsContact C-N 3.27Å; L602-E604 HydrophobicContact CB-CB 4.06Å; L602-E604 HydrophobicContact CB-CG 4.09Å; L602-E604 PolarHBondContact O-N 3.47Å
603K90.8Very high93.6Very high108 Ų10830.4 Ų30.447%0.4716%0.157SC..THydrogen-bonded Turntrans48.549.3-164.2-63.3-178.8169-169.80111.7V599 E600 I664 E665V599-K603 PolarHBondContact O-N 2.89Å; V599-K603 VanDerWaalsContact O-N 3.11Å; E600-K603 PolarHBondContact O-N 2.8Å; E600-K603 VanDerWaalsContact O-N 3.07Å; K603-I664 CarbonylContact C-O 3.32Å; K603-I664 PolarHBondContact O-N 2.82Å; K603-I664 VanDerWaalsContact O-N 3.12Å; K603-I664 VanDerWaalsContact O-O 3.06Å; K603-E665 HydrophobicContact CD-CG 4.2Å; K603-E665 WeakPolarHBondContact CD-OE1 3.32Å; K603-E665 WeakPolarHBondContact CE-OE1 3.38Å; K603-E665 IonicContact NZ-OE1 2.69Å; K603-E665 PolarHBondContact NZ-OE1 3Å
604E92.3Very high93.5Very high16 Ų1634 Ų348%0.07518%0.177CC..EExtended strand (participates in β ladder)trans-130.5128.9-176.4-77.4-177.4167.800114Y598 V599 L602 H606 R661 Y662 K663Y598-E604 VanDerWaalsContact CD2-C 3.48Å; Y598-E604 WeakPolarHBondContact CD2-O 3.36Å; V599-E604 PolarHBondContact N-O 2.7Å; V599-E604 PolarHBondContact O-N 3.03Å; L602-E604 VanDerWaalsContact C-N 3.27Å; L602-E604 HydrophobicContact CB-CB 4.06Å; L602-E604 HydrophobicContact CB-CG 4.09Å; L602-E604 PolarHBondContact O-N 3.47Å; E604-H606 WeakPolarHBondContact CB-NE2 3.37Å; E604-H606 IonicContact OE2-CD2 2.64Å; E604-H606 IonicContact OE2-CE1 3.24Å; E604-H606 IonicContact OE2-NE2 3.56Å; E604-H606 PolarHBondContact OE2-NE2 2.91Å; E604-R661 IonicContact OE1-NH1 2.69Å; E604-R661 VanDerWaalsContact OE2-CD 3.28Å; E604-R661 WeakPolarHBondContact OE2-CD 3.32Å; E604-R661 IonicContact OE2-CZ 2.98Å; E604-R661 IonicContact OE2-NE 2.7Å; E604-R661 PolarHBondContact OE2-NE 3.03Å; E604-R661 IonicContact OE2-NH1 3.59Å; E604-R661 PolarHBondContact OE2-NH1 3.47Å; E604-Y662 CarbonylContact C-O 3.54Å; E604-Y662 WeakPolarHBondContact CA-O 3.08Å; E604-K663 HydrophobicContact CG-CG 3.68Å; E604-K663 WeakPolarHBondContact OE1-CE 3.45Å
605L92.1Very high93.5Very high0 Ų034.1 Ų34.10%018%0.178CC..EExtended strand (participates in β ladder)trans-80126.7162.6174.872.5000109.5Y598 V607 L633 Y662 I664 L669 L697 W702Y598-L605 HydrophobicContact CD2-CB 4.31Å; L605-V607 HydrophobicContact CD2-CG2 4.28Å; L605-V607 HydrophobicContact CG-CG2 4.34Å; L605-L633 HydrophobicContact CD2-CD1 4.33Å; L605-L633 HydrophobicContact CD2-CD2 3.88Å; L605-Y662 HydrophobicContact CD2-CD2 4.48Å; L605-Y662 PolarHBondContact N-O 2.85Å; L605-Y662 PolarHBondContact O-N 3.13Å; L605-I664 HydrophobicContact CB-CG2 4.08Å; L605-L669 HydrophobicContact CB-CD1 4.36Å; L605-L669 HydrophobicContact CB-CD2 4.13Å; L605-L669 HydrophobicContact CD2-CD2 3.83Å; L605-L669 HydrophobicContact CG-CD2 4.37Å; L605-L697 HydrophobicContact CD2-CD1 4.23Å; L605-W702 HydrophobicContact CD1-CH2 3.57Å; L605-W702 HydrophobicContact CD1-CZ3 3.6Å
606H93.9Very high93.4Very high9 Ų934.4 Ų34.44%0.04218%0.179CC..EExtended strand (participates in β ladder)trans-111.5113.1179.6-72.7-160.7000109.3F162 D597 E604 I659 R661F162-H606 HydrophobicContact CE1-CB 3.97Å; F162-H606 HydrophobicContact CZ-CB 3.88Å; D597-H606 PolarHBondContact N-O 3.05Å; D597-H606 PolarHBondContact O-N 2.78Å; E604-H606 WeakPolarHBondContact CB-NE2 3.37Å; E604-H606 IonicContact OE2-CD2 2.64Å; E604-H606 IonicContact OE2-CE1 3.24Å; E604-H606 IonicContact OE2-NE2 3.56Å; E604-H606 PolarHBondContact OE2-NE2 2.91Å; H606-I659 HydrophobicContact CB-CG2 3.75Å; H606-R661 PolarHBondContact CE1-NE 2.74Å; H606-R661 PolarHBondContact CE1-NH2 3.03Å; H606-R661 PolarHBondContact NE2-NE 3.1Å
607V94.8Very high93.3Very high0 Ų035 Ų350%019%0.185CC..EExtended strand (participates in β ladder)trans-98.6102.1175.1-173.50000108.4F594 L596 L605 V609 T631 L660 Y662 L674 L676F594-V607 HydrophobicContact CD2-CG1 4.33Å; L596-V607 HydrophobicContact CD2-CB 4.11Å; L596-V607 HydrophobicContact CD2-CG1 3.79Å; L596-V607 HydrophobicContact CD2-CG2 3.81Å; L605-V607 HydrophobicContact CD2-CG2 4.28Å; L605-V607 HydrophobicContact CG-CG2 4.34Å; V607-V609 HydrophobicContact CG1-CG2 4.22Å; V607-V609 PolarHBondContact O-N 2.75Å; V607-T631 HydrophobicContact CG1-CG2 4.31Å; V607-L660 HydrophobicContact CB-CB 4.32Å; V607-L660 PolarHBondContact N-O 3.16Å; V607-L660 PolarHBondContact O-N 3.24Å; V607-Y662 HydrophobicContact CG2-CD2 4.27Å; V607-Y662 HydrophobicContact CG2-CE2 4.19Å; V607-L674 HydrophobicContact CG1-CD2 4.32Å; V607-L674 HydrophobicContact CG2-CD1 4.17Å; V607-L674 HydrophobicContact CG2-CD2 4.14Å; V607-L676 HydrophobicContact CG1-CD1 4.38Å
608F96.1Very high93Very high6 Ų635 Ų353%0.02619%0.188CC..EExtended strand (participates in β ladder)trans-87104.7178.3174.9-120.4000110.4N160 P161 F162 F594 A595 A610 N657 E658 I659 L710N160-F608 HydrophobicContact CB-CE1 4.49Å; P161-F608 HydrophobicContact CG-CD1 4.34Å; P161-F608 HydrophobicContact CG-CD2 4.29Å; P161-F608 HydrophobicContact CG-CG 4.16Å; F162-F608 HydrophobicContact CE2-CB 3.62Å; F162-F608 HydrophobicContact CZ-CB 3.78Å; F594-F608 CarbonylContact C-O 3.54Å; F594-F608 WeakPolarHBondContact CA-O 3.25Å; F594-F608 WeakPolarHBondContact CB-O 3.33Å; A595-F608 PolarHBondContact N-O 2.92Å; A595-F608 PolarHBondContact O-N 2.8Å; F608-A610 HydrophobicContact CE1-CB 3.98Å; F608-A610 HydrophobicContact CZ-CB 4.21Å; F608-N657 HydrophobicContact CE2-CB 4.2Å; F608-N657 HydrophobicContact CZ-CB 4.37Å; F608-E658 WeakPolarHBondContact CA-O 3.36Å; F608-I659 HydrophobicContact CB-CG1 4.29Å; F608-I659 HydrophobicContact CD2-CG1 3.72Å; F608-I659 HydrophobicContact CG-CG1 4.42Å; F608-L710 HydrophobicContact CD1-CD1 3.49Å; F608-L710 VanDerWaalsContact CD1-CD1 3.49Å; F608-L710 HydrophobicContact CE1-CD1 3.6Å; F608-L710 HydrophobicContact CE1-CD2 4.36Å
609V96.8Very high92.6Very high0 Ų037 Ų370%020%0.199CC..EExtended strand (participates in β ladder)trans-91.1107.9177.5-175.80000108.6V607 V629 T645 Y656 N657 E658 L660 L676V607-V609 HydrophobicContact CG1-CG2 4.22Å; V607-V609 PolarHBondContact O-N 2.75Å; V609-V629 HydrophobicContact CG1-CB 4.27Å; V609-V629 HydrophobicContact CG1-CG1 4.43Å; V609-V629 HydrophobicContact CG1-CG2 3.91Å; V609-V629 HydrophobicContact CG2-CG1 4.42Å; V609-T645 HydrophobicContact CB-CG2 4.16Å; V609-T645 HydrophobicContact CG1-CG2 4.14Å; V609-T645 HydrophobicContact CG2-CG2 4.43Å; V609-Y656 HydrophobicContact CG1-CD2 3.85Å; V609-Y656 HydrophobicContact CG1-CE2 4.39Å; V609-Y656 HydrophobicContact CG1-CG 4.44Å; V609-N657 WeakPolarHBondContact O-CA 3.21Å; V609-N657 PolarHBondContact O-N 3.28Å; V609-N657 VanDerWaalsContact O-N 3.13Å; V609-E658 PolarHBondContact N-O 3.27Å; V609-E658 PolarHBondContact O-N 3.14Å; V609-L660 HydrophobicContact CG2-CD1 4.08Å; V609-L660 HydrophobicContact CG2-CG 4.41Å; V609-L676 HydrophobicContact CG2-CD1 4.38Å
610A96.6Very high92.1Very high1 Ų140 Ų401%0.00822%0.218CC..EExtended strand (participates in β ladder)trans-84.5-62.6-177.300000111.8Q593 F608 Y656 N657 L710Q593-A610 PolarHBondContact O-N 2.69Å; F608-A610 HydrophobicContact CE1-CB 3.98Å; F608-A610 HydrophobicContact CZ-CB 4.21Å; A610-Y656 PolarHBondContact O-N 2.75Å; A610-N657 PolarHBondContact O-N 2.95Å; A610-L710 HydrophobicContact CB-CD1 3.99Å; A610-L710 HydrophobicContact CB-CD2 3.78Å; A610-L710 HydrophobicContact CB-CG 4.24Å
611Q97.2Very high91.7Very high38 Ų3845.2 Ų45.218%0.17824%0.239CC..EExtended strand (participates in β ladder)trans-158.9162.8-171.955.3-175.791.800112Q593 P654 V655 W712Q593-Q611 HydrophobicContact CB-CG 3.97Å; Q593-Q611 PolarHBondContact N-O 2.82Å; Q593-Q611 PolarHBondContact O-N 3.14Å; Q611-P654 CarbonylContact C-O 3.51Å; Q611-P654 WeakPolarHBondContact CA-O 3.2Å; Q611-P654 WeakPolarHBondContact CB-O 3.31Å; Q611-V655 HydrophobicContact CB-CB 4.43Å; Q611-V655 HydrophobicContact CB-CG2 4.05Å; Q611-W712 HydrophobicContact CG-CH2 3.85Å; Q611-W712 HydrophobicContact CG-CZ2 4.18Å
612C97.3Very high91.4Very high2 Ų246.2 Ų46.21%0.01423%0.23CC..EExtended strand (participates in β ladder)trans-115.3161.3161-530000110.1S591 L615 N653 P654S591-C612 CarbonylContact O-C 3.54Å; S591-C612 WeakPolarHBondContact O-CA 2.94Å; S591-C612 WeakPolarHBondContact O-CB 3.25Å; C612-L615 HydrophobicContact CB-CD1 3.82Å; C612-L615 HydrophobicContact CB-CD2 3.78Å; C612-L615 HydrophobicContact CB-CG 3.82Å; C612-N653 CarbonylContact O-C 3.32Å; C612-N653 WeakPolarHBondContact O-CA 3.34Å; C612-P654 HydrophobicContact CB-CG 3.73Å; C612-P654 PolarHBondContact N-O 3.01Å
613K95.7Very high91.2Very high81 Ų8147.4 Ų47.435%0.35223%0.233SC..EExtended strand (participates in β ladder)trans-129.7154.1169.468.5177.5-174.5153.60111.4G590 S591 L615 N653 W712G590-K613 CarbonylContact C-O 3.41Å; G590-K613 WeakPolarHBondContact CA-O 3.31Å; S591-K613 PolarHBondContact N-O 3.08Å; S591-K613 PolarHBondContact O-N 3.15Å; K613-L615 PolarHBondContact O-N 3.35Å; K613-L615 VanDerWaalsContact O-N 3.11Å; K613-N653 WeakPolarHBondContact CA-OD1 3.41Å; K613-W712 HydrophobicContact CB-CH2 3.85Å; K613-W712 HydrophobicContact CB-CZ3 4Å; K613-W712 HydrophobicContact CD-CE3 4.23Å; K613-W712 HydrophobicContact CD-CH2 3.85Å; K613-W712 HydrophobicContact CD-CZ2 4.26Å; K613-W712 HydrophobicContact CD-CZ3 3.84Å; K613-W712 HydrophobicContact CG-CE3 4.2Å; K613-W712 HydrophobicContact CG-CH2 3.76Å; K613-W712 HydrophobicContact CG-CZ3 3.51Å
614D94.5Very high91.1Very high93 Ų9348.3 Ų48.350%0.49723%0.233SC..SBendtrans54.232.9166.6-45.3-51.5000113.9K589 G590 L652 N653K589-D614 CarbonylContact C-O 3.18Å; K589-D614 VanDerWaalsContact C-O 3.32Å; G590-D614 WeakPolarHBondContact CA-O 3.36Å; G590-D614 PolarHBondContact N-O 2.81Å; D614-L652 PolarHBondContact N-O 2.81Å; D614-N653 PolarHBondContact N-OD1 2.8Å
615L95Very high91.2Very high4 Ų447.6 Ų47.62%0.02123%0.23CC..  trans-62.9149.8-178.3-65.9-177.8000112.1K589 C612 K613 P627 L652 P654 V678 L690 L715K589-L615 WeakPolarHBondContact O-CA 3.27Å; C612-L615 HydrophobicContact CB-CD1 3.82Å; C612-L615 HydrophobicContact CB-CD2 3.78Å; C612-L615 HydrophobicContact CB-CG 3.82Å; K613-L615 PolarHBondContact O-N 3.35Å; K613-L615 VanDerWaalsContact O-N 3.11Å; L615-P627 HydrophobicContact CD1-CB 3.58Å; L615-P627 HydrophobicContact CD1-CG 3.95Å; L615-L652 HydrophobicContact CB-CB 4.42Å; L615-L652 VanDerWaalsContact CB-O 3.3Å; L615-L652 WeakPolarHBondContact CB-O 3.44Å; L615-L652 VanDerWaalsContact CG-O 3.3Å; L615-L652 WeakPolarHBondContact CG-O 3.5Å; L615-L652 PolarHBondContact N-O 2.9Å; L615-L652 VanDerWaalsContact N-O 3.07Å; L615-P654 HydrophobicContact CD1-CG 3.74Å; L615-V678 HydrophobicContact CD1-CG1 3.99Å; L615-V678 HydrophobicContact CD2-CG1 4.16Å; L615-L690 HydrophobicContact CD1-CD1 4.38Å; L615-L715 HydrophobicContact CD2-CD1 3.3Å
616A91.5Very high91.3Very high7 Ų749 Ų496%0.05824%0.238CC..  trans-57.5136.8171.200000112.5L586 E587 K589 S625 L690L586-A616 HydrophobicContact CD2-CB 3.68Å; L586-A616 HydrophobicContact CG-CB 4.25Å; E587-A616 WeakPolarHBondContact O-CB 3.2Å; K589-A616 PolarHBondContact O-N 3.44Å; A616-S625 PolarHBondContact O-OG 3.4Å; A616-L690 HydrophobicContact CB-CD2 4.26Å
617A90.9Very high91.4Very high15 Ų1548.6 Ų48.612%0.12424%0.236CC..  trans-85.3110.4176.600000111.1L652A617-L652 HydrophobicContact CB-CD1 4.22Å; A617-L652 HydrophobicContact CB-CD2 3.93Å
618A85.2Confident91.5Very high24 Ų2449.3 Ų49.320%0.19824%0.239CC..SBendtrans-77-33.517900000112.7L586 V620 R624 S625 H680 L690L586-A618 HydrophobicContact CD2-CB 4.34Å; A618-V620 PolarHBondContact O-N 3.01Å; A618-R624 PolarHBondContact N-O 2.86Å; A618-S625 PolarHBondContact N-OG 3.18Å; A618-H680 HydrophobicContact CB-CB 3.9Å; A618-H680 WeakPolarHBondContact CB-CD2 3.22Å; A618-L690 HydrophobicContact CB-CD2 4.46Å
619D83.6Confident91.5Very high51 Ų5149 Ų4927%0.27324%0.237SC..BIsolated β-bridgetrans-89.591.6163-172.7-23.3000108.6K621 K622 Q623 R624D619-K621 PolarHBondContact O-N 3.26Å; D619-K621 WeakPolarHBondContact OD1-CB 3.49Å; D619-K621 PolarHBondContact OD1-N 3.44Å; D619-K622 HydrophobicContact CB-CB 4.38Å; D619-K622 PolarHBondContact O-N 3.11Å; D619-K622 PolarHBondContact OD1-N 2.79Å; D619-K622 WeakPolarHBondContact OD2-CD 3.13Å; D619-K622 WeakPolarHBondContact OD2-CE 3.49Å; D619-K622 WeakPolarHBondContact OD2-CG 3.31Å; D619-K622 IonicContact OD2-NZ 3.71Å; D619-K622 PolarHBondContact OD2-NZ 2.82Å; D619-Q623 WeakPolarHBondContact O-CA 3.46Å; D619-Q623 PolarHBondContact O-N 2.98Å; D619-R624 PolarHBondContact N-O 3.21Å; D619-R624 PolarHBondContact O-N 3.01Å
620V79.6Confident91.4Very high99 Ų9950.2 Ų50.260%0.624%0.243SC*.THydrogen-bonded Turntrans-60.8-31.4178.4-177.30000112A618 Q623A618-V620 PolarHBondContact O-N 3.01Å; V620-Q623 PolarHBondContact O-NE2 3.2Å
621K80.6Confident91.3Very high203 Ų20350.2 Ų50.288%0.88324%0.242SC*.THydrogen-bonded Turntrans-69.5-34.6178.5-67.2-169.5174.6-168.40111.8D619D619-K621 PolarHBondContact O-N 3.26Å; D619-K621 WeakPolarHBondContact OD1-CB 3.49Å; D619-K621 PolarHBondContact OD1-N 3.44Å
622K84.8Confident91Very high132 Ų13248.8 Ų48.857%0.57424%0.235SC*.THydrogen-bonded Turntrans-103-8.9-176.6-59.3-179.3-163.7143.60113.8D619 R624D619-K622 HydrophobicContact CB-CB 4.38Å; D619-K622 PolarHBondContact O-N 3.11Å; D619-K622 PolarHBondContact OD1-N 2.79Å; D619-K622 WeakPolarHBondContact OD2-CD 3.13Å; D619-K622 WeakPolarHBondContact OD2-CE 3.49Å; D619-K622 WeakPolarHBondContact OD2-CG 3.31Å; D619-K622 IonicContact OD2-NZ 3.71Å; D619-K622 PolarHBondContact OD2-NZ 2.82Å; K622-R624 VanDerWaalsContact C-N 3.34Å; K622-R624 HydrophobicContact CB-CG 4.05Å; K622-R624 WeakPolarHBondContact O-CG 3.29Å; K622-R624 VanDerWaalsContact O-CZ 3.28Å; K622-R624 PolarHBondContact O-NE 2.87Å
623Q86.5Confident90.6Very high106 Ų10648.9 Ų48.950%0.49524%0.236SC..THydrogen-bonded Turntrans54.845.2-173.1-67.2-63.9-45.800112.7D619 V620D619-Q623 WeakPolarHBondContact O-CA 3.46Å; D619-Q623 PolarHBondContact O-N 2.98Å; V620-Q623 PolarHBondContact O-NE2 3.2Å
624R89.3Confident90.1Very high127 Ų12745.9 Ų45.948%0.47922%0.223SC..BIsolated β-bridgetrans-138.2159.8-178.6-34.2-158.7-174.1-66.7-3.7111.9A618 D619 K622A618-R624 PolarHBondContact N-O 2.86Å; D619-R624 PolarHBondContact N-O 3.21Å; D619-R624 PolarHBondContact O-N 3.01Å; K622-R624 VanDerWaalsContact C-N 3.34Å; K622-R624 HydrophobicContact CB-CG 4.05Å; K622-R624 WeakPolarHBondContact O-CG 3.29Å; K622-R624 VanDerWaalsContact O-CZ 3.28Å; K622-R624 PolarHBondContact O-NE 2.87Å
625S92.9Very high89.2Confident2 Ų244.5 Ų44.51%0.01422%0.22CC..  trans-133.8158.1169.5-71.20000109A616 A618 P627 K650 T651A616-S625 PolarHBondContact O-OG 3.4Å; A618-S625 PolarHBondContact N-OG 3.18Å; S625-P627 WeakPolarHBondContact O-CD 3.36Å; S625-K650 CarbonylContact O-C 3.54Å; S625-K650 VanDerWaalsContact O-CA 3.32Å; S625-K650 WeakPolarHBondContact O-CA 3.27Å; S625-K650 PolarHBondContact O-N 2.81Å; S625-T651 PolarHBondContact O-N 2.8Å; S625-T651 VanDerWaalsContact O-O 3.06Å
626D94.5Very high88Confident30 Ų3046.3 Ų46.316%0.1623%0.23CC..  trans-104.275.5162.7-78.116.7000108.5V647 V648 K649 K650 H680 R681D626-V647 HydrophobicContact CB-CG1 4.07Å; D626-V648 CarbonylContact C-O 3.29Å; D626-V648 VanDerWaalsContact CA-O 3.31Å; D626-V648 WeakPolarHBondContact CA-O 3.37Å; D626-K649 WeakPolarHBondContact OD1-CA 3.3Å; D626-K649 WeakPolarHBondContact OD2-CG 3.34Å; D626-K650 PolarHBondContact OD1-N 3.5Å; D626-H680 PolarHBondContact N-CE1 3.38Å; D626-H680 PolarHBondContact N-ND1 3Å; D626-H680 CarbonylContact O-C 3.48Å; D626-H680 WeakPolarHBondContact O-CA 3.3Å; D626-H680 PolarHBondContact O-ND1 3.46Å; D626-R681 HydrophobicContact CB-CB 4.47Å; D626-R681 PolarHBondContact O-N 2.95Å
627P96.3Very high86.4Confident0 Ų054.1 Ų54.10%026%0.262CS..EExtended strand (participates in β ladder)trans-74.2150.2-173.431.4-40.4000114.7L615 S625 V648 T651 P654 V678 W679 L690L615-P627 HydrophobicContact CD1-CB 3.58Å; L615-P627 HydrophobicContact CD1-CG 3.95Å; S625-P627 WeakPolarHBondContact O-CD 3.36Å; P627-V648 WeakPolarHBondContact CD-O 3.46Å; P627-V648 PolarHBondContact O-N 2.94Å; P627-T651 VanDerWaalsContact CD-O 3.26Å; P627-T651 WeakPolarHBondContact CD-O 3.41Å; P627-T651 HydrophobicContact CG-CG2 4.05Å; P627-P654 HydrophobicContact CB-CG 4.1Å; P627-P654 HydrophobicContact CG-CB 3.7Å; P627-P654 HydrophobicContact CG-CG 3.56Å; P627-V678 HydrophobicContact CB-CG1 4.46Å; P627-W679 CarbonylContact C-O 3.59Å; P627-W679 VanDerWaalsContact CA-O 3.29Å; P627-W679 WeakPolarHBondContact CA-O 3.35Å; P627-L690 HydrophobicContact CB-CD1 4.06Å
628Y96.8Very high84.8Confident14 Ų1455.6 Ų55.66%0.05528%0.279CS..EExtended strand (participates in β ladder)trans-147.9155.9164.367.8-79.1000110.6K630 L646 V647 Y656 W679 R681 N687Y628-K630 HydrophobicContact CD2-CG 4.45Å; Y628-K630 HydrophobicContact CE2-CD 3.7Å; Y628-K630 HydrophobicContact CE2-CG 3.96Å; Y628-K630 WeakPolarHBondContact OH-CE 3.09Å; Y628-K630 PolarHBondContact OH-NZ 3.01Å; Y628-L646 WeakPolarHBondContact CB-O 3.49Å; Y628-V647 HydrophobicContact CD1-CG1 4.46Å; Y628-V647 HydrophobicContact CD1-CG2 4.07Å; Y628-V647 HydrophobicContact CG-CG2 4.08Å; Y628-Y656 WeakPolarHBondContact CA-OH 3.47Å; Y628-W679 HydrophobicContact CD1-CB 4.12Å; Y628-W679 WeakPolarHBondContact CD1-O 3Å; Y628-W679 HydrophobicContact CE1-CB 3.56Å; Y628-W679 HydrophobicContact CE2-CB 4.07Å; Y628-W679 HydrophobicContact CE2-CG 4.49Å; Y628-W679 PolarHBondContact N-O 3.35Å; Y628-W679 PolarHBondContact O-N 2.69Å; Y628-R681 HydrophobicContact CD1-CB 4.03Å; Y628-R681 HydrophobicContact CE1-CB 3.9Å; Y628-N687 PolarHBondContact OH-ND2 3.2Å
629V96.7Very high83.5Confident0 Ų063.2 Ų63.20%031%0.308CS..EExtended strand (participates in β ladder)trans-101.6140.9177.1-177.40000109.9V609 K644 T645 Y656 L676 S677 V678V609-V629 HydrophobicContact CG1-CB 4.27Å; V609-V629 HydrophobicContact CG1-CG1 4.43Å; V609-V629 HydrophobicContact CG1-CG2 3.91Å; V609-V629 HydrophobicContact CG2-CG1 4.42Å; V629-K644 CarbonylContact O-C 3.51Å; V629-K644 WeakPolarHBondContact O-CA 3.33Å; V629-K644 WeakPolarHBondContact O-CB 3.49Å; V629-T645 HydrophobicContact CB-CG2 3.92Å; V629-T645 PolarHBondContact N-OG1 2.77Å; V629-T645 PolarHBondContact O-N 2.93Å; V629-Y656 HydrophobicContact CG2-CD2 4.45Å; V629-Y656 HydrophobicContact CG2-CE2 3.74Å; V629-L676 HydrophobicContact CG1-CD1 4.19Å; V629-L676 HydrophobicContact CG1-CD2 3.54Å; V629-L676 HydrophobicContact CG1-CG 3.63Å; V629-S677 WeakPolarHBondContact CA-O 3.42Å; V629-V678 HydrophobicContact CG2-CG2 4.25Å
630K94.6Very high82.8Confident26 Ų2662.9 Ų62.911%0.11331%0.305CS..EExtended strand (participates in β ladder)trans-113.3148.3164.3-82140.3157.1168.30108.8Y628 Y632 K643 K644 L676 S677 W679Y628-K630 HydrophobicContact CD2-CG 4.45Å; Y628-K630 HydrophobicContact CE2-CD 3.7Å; Y628-K630 HydrophobicContact CE2-CG 3.96Å; Y628-K630 WeakPolarHBondContact OH-CE 3.09Å; Y628-K630 PolarHBondContact OH-NZ 3.01Å; K630-Y632 HydrophobicContact CB-CE2 4Å; K630-K643 CarbonylContact C-O 3.57Å; K630-K643 WeakPolarHBondContact CA-O 3.19Å; K630-K644 HydrophobicContact CG-CB 4.23Å; K630-L676 WeakPolarHBondContact O-CA 3.4Å; K630-S677 PolarHBondContact N-O 3.27Å; K630-S677 PolarHBondContact O-N 2.94Å; K630-W679 HydrophobicContact CD-CD2 4.13Å; K630-W679 HydrophobicContact CD-CG 3.86Å; K630-W679 VanDerWaalsContact CD-NE1 3.28Å; K630-W679 VanDerWaalsContact NZ-CE2 3.31Å
631T94.1Very high82.4Confident0 Ų059.4 Ų59.40%029%0.289CS..EExtended strand (participates in β ladder)trans-125.6154.6164.750.10000111V607 K642 K643 L660 Y662 L674 N675 L676V607-T631 HydrophobicContact CG1-CG2 4.31Å; T631-K642 WeakPolarHBondContact O-CA 3.15Å; T631-K643 PolarHBondContact N-O 3.5Å; T631-K643 PolarHBondContact O-N 2.77Å; T631-L660 HydrophobicContact CG2-CD1 4.07Å; T631-L660 WeakPolarHBondContact OG1-CD1 3.48Å; T631-Y662 VanDerWaalsContact CB-OH 3.24Å; T631-Y662 WeakPolarHBondContact CB-OH 3.38Å; T631-Y662 PolarHBondContact O-OH 3.16Å; T631-Y662 PolarHBondContact OG1-OH 2.98Å; T631-L674 HydrophobicContact CG2-CD1 4.25Å; T631-N675 CarbonylContact C-O 3.56Å; T631-N675 VanDerWaalsContact CA-O 3.28Å; T631-N675 WeakPolarHBondContact CA-O 3.47Å; T631-L676 HydrophobicContact CG2-CB 3.9Å; T631-L676 HydrophobicContact CG2-CD1 3.84Å; T631-L676 HydrophobicContact CG2-CG 3.69Å
632Y90.8Very high82.8Confident8 Ų854.6 Ų54.63%0.03127%0.268CS..EExtended strand (participates in β ladder)trans-140.1145172.1-52.7-100.3000108.6S577 V578 K630 K642 Y662 N675S577-Y632 PolarHBondContact OG-OH 3.48Å; V578-Y632 HydrophobicContact CG2-CD1 3.86Å; V578-Y632 HydrophobicContact CG2-CD2 3.79Å; V578-Y632 HydrophobicContact CG2-CE1 3.83Å; V578-Y632 HydrophobicContact CG2-CE2 3.79Å; V578-Y632 HydrophobicContact CG2-CG 3.84Å; K630-Y632 HydrophobicContact CB-CE2 4Å; Y632-K642 HydrophobicContact CD1-CB 3.69Å; Y632-K642 HydrophobicContact CE1-CB 3.42Å; Y632-K642 VanDerWaalsContact CE1-CB 3.42Å; Y632-K642 HydrophobicContact CE1-CD 3.98Å; Y632-K642 HydrophobicContact CE1-CG 4.35Å; Y632-Y662 PolarHBondContact N-OH 2.71Å; Y632-N675 PolarHBondContact N-O 2.9Å; Y632-N675 PolarHBondContact O-N 3.37Å
633L89.5Confident83.3Confident4 Ų451.3 Ų51.32%0.02125%0.254CS..EExtended strand (participates in β ladder)trans-97.7129.2160.4-64177.6000107.6L605 D636 Y662 I664 L674 L697L605-L633 HydrophobicContact CD2-CD1 4.33Å; L605-L633 HydrophobicContact CD2-CD2 3.88Å; L633-D636 PolarHBondContact O-N 3.24Å; L633-Y662 HydrophobicContact CD1-CD1 3.67Å; L633-Y662 HydrophobicContact CD1-CD2 4.33Å; L633-Y662 HydrophobicContact CD1-CE1 4.28Å; L633-Y662 HydrophobicContact CD1-CG 3.7Å; L633-Y662 HydrophobicContact CG-CD1 3.96Å; L633-Y662 HydrophobicContact CG-CD2 4.46Å; L633-Y662 HydrophobicContact CG-CE1 4.04Å; L633-Y662 HydrophobicContact CG-CG 4.16Å; L633-I664 HydrophobicContact CD1-CD1 4.07Å; L633-I664 HydrophobicContact CD1-CG2 4.2Å; L633-L674 HydrophobicContact CD2-CB 4.29Å; L633-L674 HydrophobicContact CD2-CD1 3.87Å; L633-L697 HydrophobicContact CD2-CD1 3.8Å
634L84.3Confident83.7Confident18 Ų1852.8 Ų52.89%0.09426%0.259CS..EExtended strand (participates in β ladder)trans-121.9132.3-174.2-59.7-179.9000109.9V575 V578 Q672 K673 N675V575-L634 HydrophobicContact CG1-CD2 4.22Å; V578-L634 HydrophobicContact CG1-CD1 4.44Å; L634-Q672 CarbonylContact O-C 3.47Å; L634-Q672 VanDerWaalsContact O-CA 3.31Å; L634-Q672 WeakPolarHBondContact O-CA 3.49Å; L634-K673 PolarHBondContact N-O 3.22Å; L634-K673 PolarHBondContact O-N 3.27Å; L634-N675 HydrophobicContact CD1-CB 3.72Å; L634-N675 HydrophobicContact CG-CB 4.31Å
635P77Confident84Confident65 Ų6546.9 Ų46.942%0.42224%0.237SC..SBendcis-73136.4-1029.4-35.1000112.3K637 Q672P635-K637 HydrophobicContact CB-CG 4.28Å; P635-K637 HydrophobicContact CG-CD 4.17Å; P635-K637 HydrophobicContact CG-CG 4.15Å; P635-K637 PolarHBondContact O-N 3.36Å; P635-Q672 PolarHBondContact O-NE2 3.32Å; P635-Q672 PolarHBondContact O-OE1 2.97Å; P635-Q672 VanDerWaalsContact O-OE1 3.06Å
636D68.6Low84.2Confident42 Ų4252.9 Ų52.923%0.22527%0.268CS..  trans-67.567-179.9-178.510.1000112.9L633 G638 K639 M640L633-D636 PolarHBondContact O-N 3.24Å; D636-G638 PolarHBondContact O-N 2.86Å; D636-K639 WeakPolarHBondContact OD1-CA 3.43Å; D636-K639 PolarHBondContact OD1-N 3.15Å; D636-K639 VanDerWaalsContact OD1-N 3.16Å; D636-M640 PolarHBondContact OD1-N 3.07Å
637K57.8Low84.3Confident170 Ų17053.5 Ų53.574%0.73927%0.273SS*.THydrogen-bonded Turntrans-80.661.6178.6-69.4-173.3177.7-1790111P635P635-K637 HydrophobicContact CB-CG 4.28Å; P635-K637 HydrophobicContact CG-CD 4.17Å; P635-K637 HydrophobicContact CG-CG 4.15Å; P635-K637 PolarHBondContact O-N 3.36Å
638G56.6Low84.3Confident47 Ų4755.6 Ų55.649%0.48529%0.285SS..THydrogen-bonded Turntrans169.71.7169.400000118.2D636 M640D636-G638 PolarHBondContact O-N 2.86Å; G638-M640 VanDerWaalsContact C-N 3.3Å; G638-M640 WeakPolarHBondContact CA-SD 3.44Å
639K58.7Low84.2Confident184 Ų18461.5 Ų61.580%0.831%0.312SS*.  trans68.229.1-168.5-39159.2-172160.10112D636 G641D636-K639 WeakPolarHBondContact OD1-CA 3.43Å; D636-K639 PolarHBondContact OD1-N 3.15Å; D636-K639 VanDerWaalsContact OD1-N 3.16Å; K639-G641 PolarHBondContact O-N 3.37Å
640M69.4Low84Confident43 Ų4369 Ų6921%0.21234%0.344CS..  trans-55.3-37.7175.4-85.763.8163.900110.2D636 G638 K643 Y662 I664D636-M640 PolarHBondContact OD1-N 3.07Å; G638-M640 VanDerWaalsContact C-N 3.3Å; G638-M640 WeakPolarHBondContact CA-SD 3.44Å; M640-K643 VanDerWaalsContact O-CE 3.23Å; M640-K643 WeakPolarHBondContact O-CE 3.29Å; M640-K643 PolarHBondContact O-NZ 3.08Å; M640-Y662 HydrophobicContact CB-CD1 4.12Å; M640-I664 HydrophobicContact CE-CB 3.91Å; M640-I664 HydrophobicContact CE-CD1 4.09Å; M640-I664 HydrophobicContact CE-CG1 3.87Å
641G72Confident84Confident26 Ų2669.5 Ų69.527%0.26835%0.349SS..  trans73.3148.1164.400000114.4K639 K643 Y662K639-G641 PolarHBondContact O-N 3.37Å; G641-K643 VanDerWaalsContact O-CE 3.23Å; G641-K643 WeakPolarHBondContact O-CE 3.23Å; G641-K643 PolarHBondContact O-N 2.9Å; G641-Y662 WeakPolarHBondContact O-CE1 3.32Å
642K88.6Confident84Confident103 Ų10371.4 Ų71.445%0.44836%0.359SS..  trans-56.1128.5-18067.4-157.1172.4-155.90112.4G573 T631 Y632G573-K642 PolarHBondContact O-NZ 3.33Å; T631-K642 WeakPolarHBondContact O-CA 3.15Å; Y632-K642 HydrophobicContact CD1-CB 3.69Å; Y632-K642 HydrophobicContact CE1-CB 3.42Å; Y632-K642 VanDerWaalsContact CE1-CB 3.42Å; Y632-K642 HydrophobicContact CE1-CD 3.98Å; Y632-K642 HydrophobicContact CE1-CG 4.35Å
643K93.6Very high84.3Confident62 Ų6275.1 Ų75.127%0.2738%0.379SS..EExtended strand (participates in β ladder)trans-100158.8168.3-47.3-66.8160.4141.50108.6K630 T631 M640 G641 L660 R661 Y662K630-K643 CarbonylContact C-O 3.57Å; K630-K643 WeakPolarHBondContact CA-O 3.19Å; T631-K643 PolarHBondContact N-O 3.5Å; T631-K643 PolarHBondContact O-N 2.77Å; M640-K643 VanDerWaalsContact O-CE 3.23Å; M640-K643 WeakPolarHBondContact O-CE 3.29Å; M640-K643 PolarHBondContact O-NZ 3.08Å; G641-K643 VanDerWaalsContact O-CE 3.23Å; G641-K643 WeakPolarHBondContact O-CE 3.23Å; G641-K643 PolarHBondContact O-N 2.9Å; K643-L660 HydrophobicContact CB-CB 3.89Å; K643-L660 HydrophobicContact CB-CD1 4.17Å; K643-L660 HydrophobicContact CB-CD2 4.31Å; K643-L660 HydrophobicContact CB-CG 4.34Å; K643-L660 HydrophobicContact CG-CB 4.46Å; K643-R661 VanDerWaalsContact CE-O 3.25Å; K643-R661 WeakPolarHBondContact CE-O 3.49Å; K643-R661 PolarHBondContact NZ-O 3.44Å; K643-Y662 HydrophobicContact CB-CE2 4.37Å; K643-Y662 HydrophobicContact CD-CE1 4.42Å; K643-Y662 HydrophobicContact CG-CD1 4.22Å; K643-Y662 HydrophobicContact CG-CD2 4.31Å; K643-Y662 HydrophobicContact CG-CE1 3.61Å; K643-Y662 HydrophobicContact CG-CE2 3.71Å; K643-Y662 WeakPolarHBondContact CG-OH 3.44Å; K643-Y662 PolarHBondContact N-OH 3.35Å
644K95Very high84.6Confident138 Ų13874.9 Ų74.960%0.638%0.378SS*.EExtended strand (participates in β ladder)trans-150.6154.117759.5162.5-171.9166.40110.9V629 K630 L660V629-K644 CarbonylContact O-C 3.51Å; V629-K644 WeakPolarHBondContact O-CA 3.33Å; V629-K644 WeakPolarHBondContact O-CB 3.49Å; K630-K644 HydrophobicContact CG-CB 4.23Å; K644-L660 VanDerWaalsContact O-CD2 3.28Å; K644-L660 WeakPolarHBondContact O-CD2 3.41Å
645T97.2Very high85.2Confident3 Ų376.7 Ų76.72%0.01839%0.39CS..  trans-76.1175.9167.662.30000111.3V609 V629 Y656 E658 L660V609-T645 HydrophobicContact CB-CG2 4.16Å; V609-T645 HydrophobicContact CG1-CG2 4.14Å; V609-T645 HydrophobicContact CG2-CG2 4.43Å; V629-T645 HydrophobicContact CB-CG2 3.92Å; V629-T645 PolarHBondContact N-OG1 2.77Å; V629-T645 PolarHBondContact O-N 2.93Å; T645-Y656 HydrophobicContact CG2-CD1 4Å; T645-Y656 HydrophobicContact CG2-CG 4.06Å; T645-Y656 WeakPolarHBondContact OG1-CD1 3.24Å; T645-Y656 WeakPolarHBondContact OG1-CE1 3.42Å; T645-E658 VanDerWaalsContact CA-OE2 3.26Å; T645-E658 WeakPolarHBondContact CA-OE2 3.44Å; T645-E658 WeakPolarHBondContact CB-OE1 3.18Å; T645-E658 HydrophobicContact CG2-CB 4.28Å; T645-L660 HydrophobicContact CG2-CD1 4.38Å; T645-L660 HydrophobicContact CG2-CD2 4.49Å
646L95.9Very high86.2Confident127 Ų12774.5 Ų74.567%0.66537%0.373SS*.  trans-62.9166.4156.5-60.5178.2000111.2Y628 E658Y628-L646 WeakPolarHBondContact CB-O 3.49Å; L646-E658 WeakPolarHBondContact CB-OE1 3.27Å; L646-E658 PolarHBondContact N-OE1 3.18Å; L646-E658 PolarHBondContact N-OE2 3.38Å; L646-E658 VanDerWaalsContact N-OE2 3.12Å
647V96.4Very high87.5Confident43 Ų4374.7 Ų74.726%0.26137%0.374SS..  trans-99.7115.3176.8-173.30000108.7D626 Y628 R681D626-V647 HydrophobicContact CB-CG1 4.07Å; Y628-V647 HydrophobicContact CD1-CG1 4.46Å; Y628-V647 HydrophobicContact CD1-CG2 4.07Å; Y628-V647 HydrophobicContact CG-CG2 4.08Å; V647-R681 HydrophobicContact CG1-CB 3.82Å; V647-R681 HydrophobicContact CG2-CB 4.39Å
648V96.4Very high89.3Confident44 Ų4468.7 Ų68.727%0.26735%0.349SS..  trans-88.2128.7172.7-171.30000107.3D626 P627 T651 P654 Y656D626-V648 CarbonylContact C-O 3.29Å; D626-V648 VanDerWaalsContact CA-O 3.31Å; D626-V648 WeakPolarHBondContact CA-O 3.37Å; P627-V648 WeakPolarHBondContact CD-O 3.46Å; P627-V648 PolarHBondContact O-N 2.94Å; V648-T651 HydrophobicContact CB-CG2 4.15Å; V648-T651 HydrophobicContact CG1-CG2 3.6Å; V648-P654 HydrophobicContact CB-CB 3.9Å; V648-P654 HydrophobicContact CG1-CB 4.29Å; V648-P654 HydrophobicContact CG2-CB 4.03Å; V648-Y656 HydrophobicContact CG2-CD1 3.8Å; V648-Y656 HydrophobicContact CG2-CE1 3.75Å
649K94.3Very high91.1Very high139 Ų13969.9 Ų69.960%0.60434%0.343SS*.  trans-92152.9-174.2-58.4-171-177.9172.70112.6D626 T651D626-K649 WeakPolarHBondContact OD1-CA 3.3Å; D626-K649 WeakPolarHBondContact OD2-CG 3.34Å; K649-T651 VanDerWaalsContact C-N 3.3Å; K649-T651 PolarHBondContact O-N 3.34Å
650K92.4Very high92.9Very high158 Ų15861.7 Ų61.769%0.68731%0.308SS*.SBendtrans54.233.5167.3-58.2178.3-179178.10115.4S625 D626S625-K650 CarbonylContact O-C 3.54Å; S625-K650 VanDerWaalsContact O-CA 3.32Å; S625-K650 WeakPolarHBondContact O-CA 3.27Å; S625-K650 PolarHBondContact O-N 2.81Å; D626-K650 PolarHBondContact OD1-N 3.5Å
651T94.9Very high94.1Very high35 Ų3565.1 Ų65.122%0.21532%0.319CS..  trans-135.6149.8-178.2-172.70000113.1S625 P627 V648 K649 N653 P654S625-T651 PolarHBondContact O-N 2.8Å; S625-T651 VanDerWaalsContact O-O 3.06Å; P627-T651 VanDerWaalsContact CD-O 3.26Å; P627-T651 WeakPolarHBondContact CD-O 3.41Å; P627-T651 HydrophobicContact CG-CG2 4.05Å; V648-T651 HydrophobicContact CB-CG2 4.15Å; V648-T651 HydrophobicContact CG1-CG2 3.6Å; K649-T651 VanDerWaalsContact C-N 3.3Å; K649-T651 PolarHBondContact O-N 3.34Å; T651-N653 PolarHBondContact OG1-N 3.25Å; T651-N653 PolarHBondContact OG1-O 2.98Å; T651-P654 HydrophobicContact CG2-CB 3.85Å
652L95Very high95Very high41 Ų4163.9 Ų63.922%0.21531%0.306CS..SBendtrans-100.6-8.1166.9-51.8-176.3000112.1D614 L615 A617 P654D614-L652 PolarHBondContact N-O 2.81Å; L615-L652 HydrophobicContact CB-CB 4.42Å; L615-L652 VanDerWaalsContact CB-O 3.3Å; L615-L652 WeakPolarHBondContact CB-O 3.44Å; L615-L652 VanDerWaalsContact CG-O 3.3Å; L615-L652 WeakPolarHBondContact CG-O 3.5Å; L615-L652 PolarHBondContact N-O 2.9Å; L615-L652 VanDerWaalsContact N-O 3.07Å; A617-L652 HydrophobicContact CB-CD1 4.22Å; A617-L652 HydrophobicContact CB-CD2 3.93Å; L652-P654 VanDerWaalsContact C-CD 3.42Å; L652-P654 WeakPolarHBondContact O-CD 2.96Å
653N96.3Very high95.1Very high85 Ų8566.1 Ų66.146%0.45532%0.316SS..SBendtrans-125.365.7-178.5-63.3-52000109.8C612 K613 D614 T651C612-N653 CarbonylContact O-C 3.32Å; C612-N653 WeakPolarHBondContact O-CA 3.34Å; K613-N653 WeakPolarHBondContact CA-OD1 3.41Å; D614-N653 PolarHBondContact N-OD1 2.8Å; T651-N653 PolarHBondContact OG1-N 3.25Å; T651-N653 PolarHBondContact OG1-O 2.98Å
654P96.6Very high94.8Very high0 Ų063.6 Ų63.60%031%0.305CS..  trans-72.3141.7-17931.4-37.4000112Q611 C612 L615 P627 V648 T651 L652 Y656Q611-P654 CarbonylContact C-O 3.51Å; Q611-P654 WeakPolarHBondContact CA-O 3.2Å; Q611-P654 WeakPolarHBondContact CB-O 3.31Å; C612-P654 HydrophobicContact CB-CG 3.73Å; C612-P654 PolarHBondContact N-O 3.01Å; L615-P654 HydrophobicContact CD1-CG 3.74Å; P627-P654 HydrophobicContact CB-CG 4.1Å; P627-P654 HydrophobicContact CG-CB 3.7Å; P627-P654 HydrophobicContact CG-CG 3.56Å; V648-P654 HydrophobicContact CB-CB 3.9Å; V648-P654 HydrophobicContact CG1-CB 4.29Å; V648-P654 HydrophobicContact CG2-CB 4.03Å; T651-P654 HydrophobicContact CG2-CB 3.85Å; L652-P654 VanDerWaalsContact C-CD 3.42Å; L652-P654 WeakPolarHBondContact O-CD 2.96Å; P654-Y656 HydrophobicContact CB-CE1 4.22Å; P654-Y656 HydrophobicContact CB-CE2 3.87Å; P654-Y656 HydrophobicContact CG-CE2 3.75Å; P654-Y656 WeakPolarHBondContact CG-OH 3.25Å
655V97.4Very high94.5Very high55 Ų5559.9 Ų59.933%0.33329%0.29SS..EExtended strand (participates in β ladder)trans-115.9123169.9-179.40000107.5Q611 N657Q611-V655 HydrophobicContact CB-CB 4.43Å; Q611-V655 HydrophobicContact CB-CG2 4.05Å; V655-N657 WeakPolarHBondContact CG1-ND2 3.26Å
656Y96.7Very high94Very high20 Ų2063.6 Ų63.68%0.07830%0.304CS..EExtended strand (participates in β ladder)trans-106.8-52.9-177.8-52-84.3000111V609 A610 Y628 V629 T645 V648 P654 E658V609-Y656 HydrophobicContact CG1-CD2 3.85Å; V609-Y656 HydrophobicContact CG1-CE2 4.39Å; V609-Y656 HydrophobicContact CG1-CG 4.44Å; A610-Y656 PolarHBondContact O-N 2.75Å; Y628-Y656 WeakPolarHBondContact CA-OH 3.47Å; V629-Y656 HydrophobicContact CG2-CD2 4.45Å; V629-Y656 HydrophobicContact CG2-CE2 3.74Å; T645-Y656 HydrophobicContact CG2-CD1 4Å; T645-Y656 HydrophobicContact CG2-CG 4.06Å; T645-Y656 WeakPolarHBondContact OG1-CD1 3.24Å; T645-Y656 WeakPolarHBondContact OG1-CE1 3.42Å; V648-Y656 HydrophobicContact CG2-CD1 3.8Å; V648-Y656 HydrophobicContact CG2-CE1 3.75Å; P654-Y656 HydrophobicContact CB-CE1 4.22Å; P654-Y656 HydrophobicContact CB-CE2 3.87Å; P654-Y656 HydrophobicContact CG-CE2 3.75Å; P654-Y656 WeakPolarHBondContact CG-OH 3.25Å; Y656-E658 VanDerWaalsContact C-N 3.27Å; Y656-E658 PolarHBondContact O-N 3.34Å
657N95.4Very high93.5Very high45 Ų4563.8 Ų63.824%0.24130%0.301CS..EExtended strand (participates in β ladder)trans52.440.3-169.5-59.8-58.3000113.6F608 V609 A610 V655F608-N657 HydrophobicContact CE2-CB 4.2Å; F608-N657 HydrophobicContact CZ-CB 4.37Å; V609-N657 WeakPolarHBondContact O-CA 3.21Å; V609-N657 PolarHBondContact O-N 3.28Å; V609-N657 VanDerWaalsContact O-N 3.13Å; A610-N657 PolarHBondContact O-N 2.95Å; V655-N657 WeakPolarHBondContact CG1-ND2 3.26Å
658E96.3Very high93Very high45 Ų4566.8 Ų66.821%0.2131%0.311CS..EExtended strand (participates in β ladder)trans-105143.3-176.3-71.3179.9-116.700112.1F608 V609 T645 L646 Y656F608-E658 WeakPolarHBondContact CA-O 3.36Å; V609-E658 PolarHBondContact N-O 3.27Å; V609-E658 PolarHBondContact O-N 3.14Å; T645-E658 VanDerWaalsContact CA-OE2 3.26Å; T645-E658 WeakPolarHBondContact CA-OE2 3.44Å; T645-E658 WeakPolarHBondContact CB-OE1 3.18Å; T645-E658 HydrophobicContact CG2-CB 4.28Å; L646-E658 WeakPolarHBondContact CB-OE1 3.27Å; L646-E658 PolarHBondContact N-OE1 3.18Å; L646-E658 PolarHBondContact N-OE2 3.38Å; L646-E658 VanDerWaalsContact N-OE2 3.12Å; Y656-E658 VanDerWaalsContact C-N 3.27Å; Y656-E658 PolarHBondContact O-N 3.34Å
659I95.7Very high92.4Very high71 Ų7164.7 Ų64.736%0.36430%0.298SS..EExtended strand (participates in β ladder)trans-104.1113.8173.8-55.9173.1000109.4P161 H606 F608 R661P161-I659 HydrophobicContact CG-CD1 4.1Å; H606-I659 HydrophobicContact CB-CG2 3.75Å; F608-I659 HydrophobicContact CB-CG1 4.29Å; F608-I659 HydrophobicContact CD2-CG1 3.72Å; F608-I659 HydrophobicContact CG-CG1 4.42Å; I659-R661 HydrophobicContact CG2-CG 4.19Å
660L95.4Very high91.9Very high12 Ų1264 Ų646%0.06330%0.295CS..EExtended strand (participates in β ladder)trans-91.3115.2175.1-53.3-177.4000109.4V607 V609 T631 K643 K644 T645V607-L660 HydrophobicContact CB-CB 4.32Å; V607-L660 PolarHBondContact N-O 3.16Å; V607-L660 PolarHBondContact O-N 3.24Å; V609-L660 HydrophobicContact CG2-CD1 4.08Å; V609-L660 HydrophobicContact CG2-CG 4.41Å; T631-L660 HydrophobicContact CG2-CD1 4.07Å; T631-L660 WeakPolarHBondContact OG1-CD1 3.48Å; K643-L660 HydrophobicContact CB-CB 3.89Å; K643-L660 HydrophobicContact CB-CD1 4.17Å; K643-L660 HydrophobicContact CB-CD2 4.31Å; K643-L660 HydrophobicContact CB-CG 4.34Å; K643-L660 HydrophobicContact CG-CB 4.46Å; K644-L660 VanDerWaalsContact O-CD2 3.28Å; K644-L660 WeakPolarHBondContact O-CD2 3.41Å; T645-L660 HydrophobicContact CG2-CD1 4.38Å; T645-L660 HydrophobicContact CG2-CD2 4.49Å
661R94.1Very high91.5Very high115 Ų11560.5 Ų60.543%0.43429%0.287SS..EExtended strand (participates in β ladder)trans-99.4132.6-174.3-69.1-178.1163.5-151.110.5113.7E604 H606 K643 I659E604-R661 IonicContact OE1-NH1 2.69Å; E604-R661 VanDerWaalsContact OE2-CD 3.28Å; E604-R661 WeakPolarHBondContact OE2-CD 3.32Å; E604-R661 IonicContact OE2-CZ 2.98Å; E604-R661 IonicContact OE2-NE 2.7Å; E604-R661 PolarHBondContact OE2-NE 3.03Å; E604-R661 IonicContact OE2-NH1 3.59Å; E604-R661 PolarHBondContact OE2-NH1 3.47Å; H606-R661 PolarHBondContact CE1-NE 2.74Å; H606-R661 PolarHBondContact CE1-NH2 3.03Å; H606-R661 PolarHBondContact NE2-NE 3.1Å; K643-R661 VanDerWaalsContact CE-O 3.25Å; K643-R661 WeakPolarHBondContact CE-O 3.49Å; K643-R661 PolarHBondContact NZ-O 3.44Å; I659-R661 HydrophobicContact CG2-CG 4.19Å
662Y92.1Very high91.1Very high0 Ų059.2 Ų59.20%028%0.279CS..EExtended strand (participates in β ladder)trans-118.9126.2172.4-70.3-85.7000110.4E604 L605 V607 T631 Y632 L633 M640 G641 K643E604-Y662 CarbonylContact C-O 3.54Å; E604-Y662 WeakPolarHBondContact CA-O 3.08Å; L605-Y662 HydrophobicContact CD2-CD2 4.48Å; L605-Y662 PolarHBondContact N-O 2.85Å; L605-Y662 PolarHBondContact O-N 3.13Å; V607-Y662 HydrophobicContact CG2-CD2 4.27Å; V607-Y662 HydrophobicContact CG2-CE2 4.19Å; T631-Y662 VanDerWaalsContact CB-OH 3.24Å; T631-Y662 WeakPolarHBondContact CB-OH 3.38Å; T631-Y662 PolarHBondContact O-OH 3.16Å; T631-Y662 PolarHBondContact OG1-OH 2.98Å; Y632-Y662 PolarHBondContact N-OH 2.71Å; L633-Y662 HydrophobicContact CD1-CD1 3.67Å; L633-Y662 HydrophobicContact CD1-CD2 4.33Å; L633-Y662 HydrophobicContact CD1-CE1 4.28Å; L633-Y662 HydrophobicContact CD1-CG 3.7Å; L633-Y662 HydrophobicContact CG-CD1 3.96Å; L633-Y662 HydrophobicContact CG-CD2 4.46Å; L633-Y662 HydrophobicContact CG-CE1 4.04Å; L633-Y662 HydrophobicContact CG-CG 4.16Å; M640-Y662 HydrophobicContact CB-CD1 4.12Å; G641-Y662 WeakPolarHBondContact O-CE1 3.32Å; K643-Y662 HydrophobicContact CB-CE2 4.37Å; K643-Y662 HydrophobicContact CD-CE1 4.42Å; K643-Y662 HydrophobicContact CG-CD1 4.22Å; K643-Y662 HydrophobicContact CG-CD2 4.31Å; K643-Y662 HydrophobicContact CG-CE1 3.61Å; K643-Y662 HydrophobicContact CG-CE2 3.71Å; K643-Y662 WeakPolarHBondContact CG-OH 3.44Å; K643-Y662 PolarHBondContact N-OH 3.35Å
663K90.1Very high90.9Very high151 Ų15161.5 Ų61.566%0.65729%0.287SS*.EExtended strand (participates in β ladder)trans-84.6111.1169.9-70.9-172.5173.7-161.80108.5E604E604-K663 HydrophobicContact CG-CG 3.68Å; E604-K663 WeakPolarHBondContact OE1-CE 3.45Å
664I88Confident90.6Very high8 Ų857.5 Ų57.54%0.04127%0.265CS..  trans-162.8140-175.4-177.7168000107.6Y598 K603 L605 L633 M640 F668 L669 Q672Y598-I664 WeakPolarHBondContact CE2-O 3.33Å; K603-I664 CarbonylContact C-O 3.32Å; K603-I664 PolarHBondContact O-N 2.82Å; K603-I664 VanDerWaalsContact O-N 3.12Å; K603-I664 VanDerWaalsContact O-O 3.06Å; L605-I664 HydrophobicContact CB-CG2 4.08Å; L633-I664 HydrophobicContact CD1-CD1 4.07Å; L633-I664 HydrophobicContact CD1-CG2 4.2Å; M640-I664 HydrophobicContact CE-CB 3.91Å; M640-I664 HydrophobicContact CE-CD1 4.09Å; M640-I664 HydrophobicContact CE-CG1 3.87Å; I664-F668 HydrophobicContact CD1-CB 4.06Å; I664-F668 HydrophobicContact CG1-CB 3.92Å; I664-L669 HydrophobicContact CD1-CD2 4.04Å; I664-L669 HydrophobicContact CD1-CG 4.23Å; I664-L669 HydrophobicContact CG1-CD2 4.46Å; I664-L669 HydrophobicContact CG1-CG 4.27Å; I664-L669 HydrophobicContact CG2-CD1 4.36Å; I664-L669 HydrophobicContact CG2-CD2 3.71Å; I664-L669 HydrophobicContact CG2-CG 3.92Å; I664-Q672 HydrophobicContact CD1-CG 3.97Å
665E87.4Confident90.4Very high61 Ų6157.5 Ų57.529%0.28527%0.266SS..  trans-85.1149.5179.9-46.8-165.6124.300111.4K603 Q667 F668 L669K603-E665 HydrophobicContact CD-CG 4.2Å; K603-E665 WeakPolarHBondContact CD-OE1 3.32Å; K603-E665 WeakPolarHBondContact CE-OE1 3.38Å; K603-E665 IonicContact NZ-OE1 2.69Å; K603-E665 PolarHBondContact NZ-OE1 3Å; E665-Q667 HydrophobicContact CB-CG 4.03Å; E665-Q667 PolarHBondContact O-N 2.81Å; E665-Q667 VanDerWaalsContact O-N 3.09Å; E665-Q667 PolarHBondContact OE2-NE2 2.86Å; E665-F668 HydrophobicContact CB-CD2 4.01Å; E665-F668 HydrophobicContact CB-CE2 4.45Å; E665-F668 HydrophobicContact CG-CD2 4.35Å; E665-F668 PolarHBondContact O-N 2.67Å; E665-L669 PolarHBondContact O-N 2.65Å
666R86.3Confident90.3Very high81 Ų8155 Ų5531%0.30625%0.25SS..Hα-helixtrans-51-37.3-178.6-164.8-175.2-77.8-116.89.8113.6Y598 E600 F668 L669Y598-R666 HydrophobicContact CD1-CB 4.39Å; Y598-R666 HydrophobicContact CD1-CG 4.4Å; Y598-R666 HydrophobicContact CE1-CB 3.65Å; Y598-R666 HydrophobicContact CE1-CG 4.12Å; Y598-R666 PolarHBondContact OH-N 3.36Å; Y598-R666 VanDerWaalsContact OH-N 3.13Å; E600-R666 IonicContact OE2-CZ 2.66Å; E600-R666 IonicContact OE2-NE 3.51Å; E600-R666 PolarHBondContact OE2-NE 2.98Å; E600-R666 IonicContact OE2-NH2 2.77Å; E600-R666 PolarHBondContact OE2-NH2 2.97Å; R666-F668 VanDerWaalsContact C-N 3.3Å; R666-F668 PolarHBondContact O-N 2.79Å; R666-L669 PolarHBondContact O-N 3.06Å
667Q85.7Confident90.2Very high130 Ų13054.1 Ų54.161%0.60725%0.247SC*.Hα-helixtrans-58.8-37.8176.857.7178-13.300113.2E665E665-Q667 HydrophobicContact CB-CG 4.03Å; E665-Q667 PolarHBondContact O-N 2.81Å; E665-Q667 VanDerWaalsContact O-N 3.09Å; E665-Q667 PolarHBondContact OE2-NE2 2.86Å
668F85.6Confident90.2Very high106 Ų10652 Ų5247%0.46524%0.236SC..Hα-helixtrans-83.5-25.8178.7-60.7-64000112.8I664 E665 R666 K670 T671 Q672I664-F668 HydrophobicContact CD1-CB 4.06Å; I664-F668 HydrophobicContact CG1-CB 3.92Å; E665-F668 HydrophobicContact CB-CD2 4.01Å; E665-F668 HydrophobicContact CB-CE2 4.45Å; E665-F668 HydrophobicContact CG-CD2 4.35Å; E665-F668 PolarHBondContact O-N 2.67Å; R666-F668 VanDerWaalsContact C-N 3.3Å; R666-F668 PolarHBondContact O-N 2.79Å; F668-K670 VanDerWaalsContact C-N 3.25Å; F668-K670 PolarHBondContact O-N 2.72Å; F668-T671 PolarHBondContact O-N 3.45Å; F668-T671 PolarHBondContact O-OG1 3.41Å; F668-Q672 WeakPolarHBondContact O-CG 3.41Å
669L85.7Confident90Very high0 Ų050.9 Ų50.90%023%0.23CC..Hα-helixtrans-57.3-36.3178.7-83.3172000113.2Y598 L605 I664 E665 R666 T671 Q672 L697 W702Y598-L669 HydrophobicContact CD2-CD1 3.33Å; Y598-L669 HydrophobicContact CE2-CD1 3.68Å; Y598-L669 HydrophobicContact CG-CD1 3.84Å; L605-L669 HydrophobicContact CB-CD1 4.36Å; L605-L669 HydrophobicContact CB-CD2 4.13Å; L605-L669 HydrophobicContact CD2-CD2 3.83Å; L605-L669 HydrophobicContact CG-CD2 4.37Å; I664-L669 HydrophobicContact CD1-CD2 4.04Å; I664-L669 HydrophobicContact CD1-CG 4.23Å; I664-L669 HydrophobicContact CG1-CD2 4.46Å; I664-L669 HydrophobicContact CG1-CG 4.27Å; I664-L669 HydrophobicContact CG2-CD1 4.36Å; I664-L669 HydrophobicContact CG2-CD2 3.71Å; I664-L669 HydrophobicContact CG2-CG 3.92Å; E665-L669 PolarHBondContact O-N 2.65Å; R666-L669 PolarHBondContact O-N 3.06Å; L669-T671 PolarHBondContact O-N 3.16Å; L669-T671 VanDerWaalsContact O-N 3.11Å; L669-Q672 PolarHBondContact O-N 3.44Å; L669-L697 HydrophobicContact CD2-CD1 3.91Å; L669-L697 VanDerWaalsContact O-CB 3.29Å; L669-L697 WeakPolarHBondContact O-CB 3.5Å; L669-W702 HydrophobicContact CB-CZ2 4.4Å; L669-W702 HydrophobicContact CD1-CH2 4.26Å; L669-W702 HydrophobicContact CD1-CZ2 4.39Å
670K82.7Confident89.9Confident124 Ų12448.5 Ų48.554%0.53922%0.217SC..THydrogen-bonded Turntrans-65.3-8.7175.1-66.9-167.7174.7-166.90114.5F668 E698F668-K670 VanDerWaalsContact C-N 3.25Å; F668-K670 PolarHBondContact O-N 2.72Å; K670-E698 VanDerWaalsContact O-CB 3.32Å; K670-E698 WeakPolarHBondContact O-CB 3.47Å
671T83.9Confident89.7Confident86 Ų8653.2 Ų53.253%0.52823%0.234SC..THydrogen-bonded Turntrans-108.122.2-179.6700000112.5F668 L669F668-T671 PolarHBondContact O-N 3.45Å; F668-T671 PolarHBondContact O-OG1 3.41Å; L669-T671 PolarHBondContact O-N 3.16Å; L669-T671 VanDerWaalsContact O-N 3.11Å
672Q86.8Confident89.4Confident8 Ų849.3 Ų49.34%0.03722%0.221CC..  trans-135.4152.4-168.5-62.4-72.2-8100112L634 P635 I664 F668 L669 L697L634-Q672 CarbonylContact O-C 3.47Å; L634-Q672 VanDerWaalsContact O-CA 3.31Å; L634-Q672 WeakPolarHBondContact O-CA 3.49Å; P635-Q672 PolarHBondContact O-NE2 3.32Å; P635-Q672 PolarHBondContact O-OE1 2.97Å; P635-Q672 VanDerWaalsContact O-OE1 3.06Å; I664-Q672 HydrophobicContact CD1-CG 3.97Å; F668-Q672 WeakPolarHBondContact O-CG 3.41Å; L669-Q672 PolarHBondContact O-N 3.44Å; Q672-L697 HydrophobicContact CB-CD1 4.2Å; Q672-L697 WeakPolarHBondContact O-CB 3.43Å; Q672-L697 PolarHBondContact O-N 3.09Å
673K90Very high89Confident89 Ų8953.6 Ų53.639%0.38725%0.248SC..EExtended strand (participates in β ladder)trans-115.8136.7165.3-48.4-164.5-169.3-137.70109.2L634 E694 L695 D696L634-K673 PolarHBondContact N-O 3.22Å; L634-K673 PolarHBondContact O-N 3.27Å; K673-E694 HydrophobicContact CB-CG 4.27Å; K673-L695 CarbonylContact C-O 3.46Å; K673-L695 WeakPolarHBondContact CA-O 3.2Å; K673-D696 WeakPolarHBondContact CD-OD2 3.43Å; K673-D696 WeakPolarHBondContact CE-OD2 3.3Å; K673-D696 IonicContact NZ-OD2 3.34Å; K673-D696 PolarHBondContact NZ-OD2 3.01Å
674L91.8Very high88.4Confident0 Ų055.8 Ų55.80%026%0.258CS..EExtended strand (participates in β ladder)trans-88.6107.2172.5177.569.1000109F594 L596 V607 T631 L633 E694 L695 L697F594-L674 HydrophobicContact CE2-CD2 4.3Å; L596-L674 HydrophobicContact CD1-CD2 3.96Å; L596-L674 HydrophobicContact CD2-CD2 3.5Å; L596-L674 VanDerWaalsContact CD2-CD2 3.5Å; L596-L674 HydrophobicContact CG-CD2 4.37Å; V607-L674 HydrophobicContact CG1-CD2 4.32Å; V607-L674 HydrophobicContact CG2-CD1 4.17Å; V607-L674 HydrophobicContact CG2-CD2 4.14Å; T631-L674 HydrophobicContact CG2-CD1 4.25Å; L633-L674 HydrophobicContact CD2-CB 4.29Å; L633-L674 HydrophobicContact CD2-CD1 3.87Å; L674-E694 WeakPolarHBondContact O-CA 3.34Å; L674-L695 PolarHBondContact N-O 2.66Å; L674-L695 PolarHBondContact O-N 2.89Å; L674-L697 HydrophobicContact CB-CD1 4.21Å; L674-L697 HydrophobicContact CB-CD2 4.1Å; L674-L697 HydrophobicContact CB-CG 4.28Å
675N92.3Very high88Confident1 Ų163.2 Ų63.21%0.00529%0.29CS..EExtended strand (participates in β ladder)trans-89.4119.5167.1-178.9-82.4000109.1T631 Y632 L634 E692 E694T631-N675 CarbonylContact C-O 3.56Å; T631-N675 VanDerWaalsContact CA-O 3.28Å; T631-N675 WeakPolarHBondContact CA-O 3.47Å; Y632-N675 PolarHBondContact N-O 2.9Å; Y632-N675 PolarHBondContact O-N 3.37Å; L634-N675 HydrophobicContact CD1-CB 3.72Å; L634-N675 HydrophobicContact CG-CB 4.31Å; N675-E692 PolarHBondContact ND2-OE2 2.99Å; N675-E694 PolarHBondContact ND2-OE2 3.41Å
676L94.5Very high87.5Confident1 Ų168.3 Ų68.31%0.00531%0.307CS..EExtended strand (participates in β ladder)trans-117.2113.2175.6-175.2157.9000108.7V592 F594 V607 V609 V629 K630 T631 V678 E692 V693V592-L676 HydrophobicContact CG1-CD2 3.96Å; V592-L676 HydrophobicContact CG2-CD2 4.14Å; F594-L676 HydrophobicContact CD1-CD1 3.78Å; F594-L676 HydrophobicContact CD2-CD1 4.2Å; F594-L676 HydrophobicContact CE1-CD1 3.83Å; F594-L676 HydrophobicContact CE2-CD1 4.25Å; F594-L676 HydrophobicContact CG-CD1 3.96Å; F594-L676 HydrophobicContact CZ-CD1 4.06Å; V607-L676 HydrophobicContact CG1-CD1 4.38Å; V609-L676 HydrophobicContact CG2-CD1 4.38Å; V629-L676 HydrophobicContact CG1-CD1 4.19Å; V629-L676 HydrophobicContact CG1-CD2 3.54Å; V629-L676 HydrophobicContact CG1-CG 3.63Å; K630-L676 WeakPolarHBondContact O-CA 3.4Å; T631-L676 HydrophobicContact CG2-CB 3.9Å; T631-L676 HydrophobicContact CG2-CD1 3.84Å; T631-L676 HydrophobicContact CG2-CG 3.69Å; L676-V678 HydrophobicContact CD2-CG2 4.47Å; L676-E692 CarbonylContact O-C 3.43Å; L676-E692 VanDerWaalsContact O-CA 3.27Å; L676-E692 WeakPolarHBondContact O-CA 3.46Å; L676-E692 WeakPolarHBondContact O-CB 3.34Å; L676-V693 PolarHBondContact N-O 2.86Å; L676-V693 PolarHBondContact O-N 3.18Å
677S93.8Very high87.5Confident2 Ų267.5 Ų67.51%0.01431%0.308CS..EExtended strand (participates in β ladder)trans-120.7138.8-176.6470000112.1V629 K630 W679V629-S677 WeakPolarHBondContact CA-O 3.42Å; K630-S677 PolarHBondContact N-O 3.27Å; K630-S677 PolarHBondContact O-N 2.94Å; S677-W679 VanDerWaalsContact CB-NE1 3.31Å; S677-W679 VanDerWaalsContact O-CD1 3.31Å; S677-W679 PolarHBondContact OG-NE1 3.45Å
678V95.3Very high87.5Confident0 Ų063.2 Ų63.20%029%0.292CS..EExtended strand (participates in β ladder)trans-102.3136.9179.6-166.80000109.1L615 P627 V629 L676 L690 G691 L715L615-V678 HydrophobicContact CD1-CG1 3.99Å; L615-V678 HydrophobicContact CD2-CG1 4.16Å; P627-V678 HydrophobicContact CB-CG1 4.46Å; V629-V678 HydrophobicContact CG2-CG2 4.25Å; L676-V678 HydrophobicContact CD2-CG2 4.47Å; V678-L690 HydrophobicContact CB-CB 4.22Å; V678-L690 HydrophobicContact CG1-CB 4.19Å; V678-L690 HydrophobicContact CG1-CD1 4.28Å; V678-L690 PolarHBondContact O-N 2.85Å; V678-G691 PolarHBondContact N-O 2.67Å; V678-L715 HydrophobicContact CB-CD1 4.34Å; V678-L715 HydrophobicContact CG2-CD1 3.96Å; V678-L715 HydrophobicContact CG2-CD2 3.69Å
679W93.8Very high87.7Confident22 Ų2258.7 Ų58.78%0.08327%0.273CS..EExtended strand (participates in β ladder)trans-139.7139.9-170.7-64.874.7000111F583 P627 Y628 K630 S677 N687 S688 F689F583-W679 HydrophobicContact CE1-CH2 4.13Å; P627-W679 CarbonylContact C-O 3.59Å; P627-W679 VanDerWaalsContact CA-O 3.29Å; P627-W679 WeakPolarHBondContact CA-O 3.35Å; Y628-W679 HydrophobicContact CD1-CB 4.12Å; Y628-W679 WeakPolarHBondContact CD1-O 3Å; Y628-W679 HydrophobicContact CE1-CB 3.56Å; Y628-W679 HydrophobicContact CE2-CB 4.07Å; Y628-W679 HydrophobicContact CE2-CG 4.49Å; Y628-W679 PolarHBondContact N-O 3.35Å; Y628-W679 PolarHBondContact O-N 2.69Å; K630-W679 HydrophobicContact CD-CD2 4.13Å; K630-W679 HydrophobicContact CD-CG 3.86Å; K630-W679 VanDerWaalsContact CD-NE1 3.28Å; K630-W679 VanDerWaalsContact NZ-CE2 3.31Å; S677-W679 VanDerWaalsContact CB-NE1 3.31Å; S677-W679 VanDerWaalsContact O-CD1 3.31Å; S677-W679 PolarHBondContact OG-NE1 3.45Å; W679-N687 HydrophobicContact CE3-CB 4.27Å; W679-S688 CarbonylContact C-O 3.52Å; W679-S688 WeakPolarHBondContact CA-O 3.45Å; W679-F689 HydrophobicContact CD2-CD2 4.37Å; W679-F689 AromaticContact CE2-CD2 3.98Å; W679-F689 HydrophobicContact CE3-CB 4.34Å; W679-F689 HydrophobicContact CH2-CD2 4.37Å; W679-F689 HydrophobicContact CZ2-CD2 4.01Å; W679-F689 HydrophobicContact CZ3-CB 4.32Å
680H92.1Very high88Confident21 Ų2158.7 Ų58.710%0.09727%0.273CS..EExtended strand (participates in β ladder)trans-77.9134163.417337000109.3A618 D626 N687 S688 L690A618-H680 HydrophobicContact CB-CB 3.9Å; A618-H680 WeakPolarHBondContact CB-CD2 3.22Å; D626-H680 PolarHBondContact N-CE1 3.38Å; D626-H680 PolarHBondContact N-ND1 3Å; D626-H680 CarbonylContact O-C 3.48Å; D626-H680 WeakPolarHBondContact O-CA 3.3Å; D626-H680 PolarHBondContact O-ND1 3.46Å; H680-N687 CarbonylContact O-C 3.44Å; H680-N687 WeakPolarHBondContact O-CA 3.48Å; H680-N687 WeakPolarHBondContact O-CB 3.46Å; H680-S688 PolarHBondContact N-O 3.35Å; H680-S688 PolarHBondContact O-N 3.03Å; H680-L690 HydrophobicContact CB-CD1 4.11Å; H680-L690 HydrophobicContact CB-CD2 4.17Å; H680-L690 HydrophobicContact CB-CG 4.21Å
681R92.5Very high88.4Confident112 Ų11252.8 Ų52.842%0.42325%0.247SC..  trans-85.6107.3162-178.4-178.9170.1-156.2-4.1110.8D626 Y628 V647 N687D626-R681 HydrophobicContact CB-CB 4.47Å; D626-R681 PolarHBondContact O-N 2.95Å; Y628-R681 HydrophobicContact CD1-CB 4.03Å; Y628-R681 HydrophobicContact CE1-CB 3.9Å; V647-R681 HydrophobicContact CG1-CB 3.82Å; V647-R681 HydrophobicContact CG2-CB 4.39Å; R681-N687 WeakPolarHBondContact CA-OD1 3.31Å
682D85.9Confident88.8Confident32 Ų3249.7 Ų49.717%0.17123%0.226CC..  trans-80.8157.7161.4-159.8-53.4000109F684 K685 N687D682-F684 PolarHBondContact OD1-N 3.3Å; D682-K685 HydrophobicContact CB-CB 4.09Å; D682-K685 PolarHBondContact OD1-N 2.99Å; D682-K685 WeakPolarHBondContact OD2-CB 3.34Å; D682-K685 WeakPolarHBondContact OD2-CD 3.48Å; D682-K685 VanDerWaalsContact OD2-CG 3.32Å; D682-K685 WeakPolarHBondContact OD2-CG 3.4Å; D682-N687 PolarHBondContact N-OD1 3.2Å
683T85.1Confident89.1Confident91 Ų9149.8 Ų49.856%0.55823%0.228SC*.SBendtrans-103.4-24.4176.9-61.50000112.4
684F77.5Confident89.2Confident196 Ų19650.1 Ų50.186%0.8623%0.231SC*.SBendtrans-122.4-13-176-57.9-72.7000113.4D682D682-F684 PolarHBondContact OD1-N 3.3Å
685K78.4Confident89.2Confident164 Ų16451.3 Ų51.371%0.71324%0.237SC*.SBendtrans-117.8-174.4175.2-46.1179.8-167.4166.50112.1D682D682-K685 HydrophobicContact CB-CB 4.09Å; D682-K685 PolarHBondContact OD1-N 2.99Å; D682-K685 WeakPolarHBondContact OD2-CB 3.34Å; D682-K685 WeakPolarHBondContact OD2-CD 3.48Å; D682-K685 VanDerWaalsContact OD2-CG 3.32Å; D682-K685 WeakPolarHBondContact OD2-CG 3.4Å
686R78.6Confident89Confident169 Ų16953.4 Ų53.464%0.63825%0.248SC*.  trans-66.9147.5166.1-66178.3-178.6159.97110.1D582 S688D582-R686 WeakPolarHBondContact OD2-CD 3.36Å; D582-R686 IonicContact OD2-CZ 3.53Å; D582-R686 IonicContact OD2-NE 3.38Å; D582-R686 IonicContact OD2-NH1 3.35Å; D582-R686 PolarHBondContact OD2-NH1 3.02Å; R686-S688 PolarHBondContact O-N 3.16Å
687N86Confident88.8Confident64 Ų6453.4 Ų53.434%0.34225%0.248SC..  trans-66.3113.9174.4-66.9-37.4000110.5Y628 W679 H680 R681 D682Y628-N687 PolarHBondContact OH-ND2 3.2Å; W679-N687 HydrophobicContact CE3-CB 4.27Å; H680-N687 CarbonylContact O-C 3.44Å; H680-N687 WeakPolarHBondContact O-CA 3.48Å; H680-N687 WeakPolarHBondContact O-CB 3.46Å; R681-N687 WeakPolarHBondContact CA-OD1 3.31Å; D682-N687 PolarHBondContact N-OD1 3.2Å
688S86.2Confident88.4Confident39 Ų3959.7 Ų59.727%0.27328%0.277SS..  trans-66.6143.9177.6-38.70000111.5W679 H680 R686W679-S688 CarbonylContact C-O 3.52Å; W679-S688 WeakPolarHBondContact CA-O 3.45Å; H680-S688 PolarHBondContact N-O 3.35Å; H680-S688 PolarHBondContact O-N 3.03Å; R686-S688 PolarHBondContact O-N 3.16Å
689F89.3Confident87.7Confident12 Ų1265.4 Ų65.45%0.05331%0.312CS..EExtended strand (participates in β ladder)trans-81.7136.3171.4176.6-97.5000109.9F583 V588 W679 G691 E692 K718F583-F689 HydrophobicContact CB-CB 4.26Å; F583-F689 HydrophobicContact CB-CD1 4.38Å; F583-F689 HydrophobicContact CD1-CB 3.74Å; F583-F689 HydrophobicContact CD1-CD1 4.43Å; F583-F689 HydrophobicContact CD1-CD2 4.23Å; F583-F689 AromaticContact CD1-CG 3.92Å; F583-F689 HydrophobicContact CD1-CG 3.92Å; F583-F689 HydrophobicContact CE1-CD2 4.49Å; F583-F689 HydrophobicContact CG-CB 4.38Å; F583-F689 HydrophobicContact CG-CG 4.44Å; V588-F689 HydrophobicContact CG2-CD1 4.14Å; V588-F689 HydrophobicContact CG2-CE1 4.03Å; W679-F689 HydrophobicContact CD2-CD2 4.37Å; W679-F689 AromaticContact CE2-CD2 3.98Å; W679-F689 HydrophobicContact CE3-CB 4.34Å; W679-F689 HydrophobicContact CH2-CD2 4.37Å; W679-F689 HydrophobicContact CZ2-CD2 4.01Å; W679-F689 HydrophobicContact CZ3-CB 4.32Å; F689-G691 VanDerWaalsContact CZ-CA 3.46Å; F689-E692 HydrophobicContact CE2-CB 4Å; F689-E692 HydrophobicContact CE2-CG 4.45Å; F689-E692 HydrophobicContact CZ-CB 3.76Å; F689-E692 HydrophobicContact CZ-CG 3.89Å; F689-K718 HydrophobicContact CE1-CB 3.7Å; F689-K718 HydrophobicContact CE2-CB 4.4Å; F689-K718 HydrophobicContact CZ-CB 3.64Å
690L90.6Very high87.3Confident0 Ų065.6 Ų65.60%031%0.313CS..EExtended strand (participates in β ladder)trans-113.5-1.6-178.5-58.9-179.3000113.2L586 V588 L615 A616 A618 P627 V678 H680L586-L690 HydrophobicContact CD2-CD2 3.52Å; V588-L690 WeakPolarHBondContact CG1-O 3.3Å; L615-L690 HydrophobicContact CD1-CD1 4.38Å; A616-L690 HydrophobicContact CB-CD2 4.26Å; A618-L690 HydrophobicContact CB-CD2 4.46Å; P627-L690 HydrophobicContact CB-CD1 4.06Å; V678-L690 HydrophobicContact CB-CB 4.22Å; V678-L690 HydrophobicContact CG1-CB 4.19Å; V678-L690 HydrophobicContact CG1-CD1 4.28Å; V678-L690 PolarHBondContact O-N 2.85Å; H680-L690 HydrophobicContact CB-CD1 4.11Å; H680-L690 HydrophobicContact CB-CD2 4.17Å; H680-L690 HydrophobicContact CB-CG 4.21Å
691G91.7Very high86.8Confident0 Ų068.3 Ų68.30%033%0.328CS..EExtended strand (participates in β ladder)trans128.8163.8178.900000113.6V588 V678 F689 K716V588-G691 VanDerWaalsContact CG1-CA 3.49Å; V678-G691 PolarHBondContact N-O 2.67Å; F689-G691 VanDerWaalsContact CZ-CA 3.46Å; G691-K716 WeakPolarHBondContact CA-O 3.49Å
692E93.3Very high86.2Confident20 Ų2063.9 Ų63.99%0.09331%0.311CS..EExtended strand (participates in β ladder)trans-139.7166.1176.173.4-170.3163.100113.8N675 L676 F689 K716 K718N675-E692 PolarHBondContact ND2-OE2 2.99Å; L676-E692 CarbonylContact O-C 3.43Å; L676-E692 VanDerWaalsContact O-CA 3.27Å; L676-E692 WeakPolarHBondContact O-CA 3.46Å; L676-E692 WeakPolarHBondContact O-CB 3.34Å; F689-E692 HydrophobicContact CE2-CB 4Å; F689-E692 HydrophobicContact CE2-CG 4.45Å; F689-E692 HydrophobicContact CZ-CB 3.76Å; F689-E692 HydrophobicContact CZ-CG 3.89Å; E692-K716 PolarHBondContact N-O 2.96Å; E692-K716 PolarHBondContact O-N 2.94Å; E692-K718 WeakPolarHBondContact OE1-CD 3.34Å; E692-K718 WeakPolarHBondContact OE1-CE 3.31Å; E692-K718 WeakPolarHBondContact OE1-CG 3.01Å; E692-K718 IonicContact OE1-NZ 3.01Å; E692-K718 PolarHBondContact OE1-NZ 3.17Å; E692-K718 IonicContact OE2-NZ 2.79Å; E692-K718 PolarHBondContact OE2-NZ 3.46Å
693V93.2Very high85.6Confident11 Ų1168.1 Ų68.17%0.06733%0.334CS..EExtended strand (participates in β ladder)trans-128.8132.9169.7-174.80000106.4V592 F594 L676 L695 Y713 L715V592-V693 HydrophobicContact CG1-CG2 3.63Å; F594-V693 HydrophobicContact CE1-CG1 4.37Å; F594-V693 HydrophobicContact CZ-CG1 4.33Å; L676-V693 PolarHBondContact N-O 2.86Å; L676-V693 PolarHBondContact O-N 3.18Å; V693-L695 HydrophobicContact CG1-CD2 4.32Å; V693-L695 HydrophobicContact CG1-CG 4.29Å; V693-Y713 HydrophobicContact CG1-CD1 4Å; V693-Y713 HydrophobicContact CG1-CG 4.04Å; V693-L715 HydrophobicContact CG2-CD2 3.96Å
694E92.2Very high85.2Confident96 Ų9665.3 Ų65.345%0.44932%0.318SS..EExtended strand (participates in β ladder)trans-115.9132.8168.9-165.1154.4113.400108.8K673 L674 N675K673-E694 HydrophobicContact CB-CG 4.27Å; L674-E694 WeakPolarHBondContact O-CA 3.34Å; N675-E694 PolarHBondContact ND2-OE2 3.41Å
695L90.3Very high84.9Confident25 Ų2564.1 Ų64.113%0.13131%0.313CS..EExtended strand (participates in β ladder)trans-122.9129.9175.2-64.9179.6000109F594 L596 K673 L674 V693 W700 Y713F594-L695 HydrophobicContact CE2-CD1 3.6Å; F594-L695 HydrophobicContact CZ-CD1 3.53Å; F594-L695 HydrophobicContact CZ-CG 4.31Å; L596-L695 HydrophobicContact CD1-CD1 4.01Å; K673-L695 CarbonylContact C-O 3.46Å; K673-L695 WeakPolarHBondContact CA-O 3.2Å; L674-L695 PolarHBondContact N-O 2.66Å; L674-L695 PolarHBondContact O-N 2.89Å; V693-L695 HydrophobicContact CG1-CD2 4.32Å; V693-L695 HydrophobicContact CG1-CG 4.29Å; L695-W700 HydrophobicContact CD1-CE3 4.29Å; L695-W700 HydrophobicContact CD1-CH2 4.31Å; L695-W700 HydrophobicContact CD1-CZ3 3.74Å; L695-W700 HydrophobicContact CD2-CZ3 4.48Å; L695-Y713 HydrophobicContact CD1-CE1 4.27Å; L695-Y713 HydrophobicContact CD2-CD1 4.2Å; L695-Y713 HydrophobicContact CD2-CE1 3.74Å
696D89.6Confident84.6Confident45 Ų4562.5 Ų62.524%0.24131%0.308CS..EExtended strand (participates in β ladder)trans-75.1135.3168.4-149.2-53.2000109.7K673 E698K673-D696 WeakPolarHBondContact CD-OD2 3.43Å; K673-D696 WeakPolarHBondContact CE-OD2 3.3Å; K673-D696 IonicContact NZ-OD2 3.34Å; K673-D696 PolarHBondContact NZ-OD2 3.01Å; D696-E698 WeakPolarHBondContact OD1-CB 3.23Å; D696-E698 PolarHBondContact OD1-N 3.46Å
697L88.6Confident84.2Confident0 Ų055.5 Ų55.50%028%0.283CS..SBendtrans-100.4-4.9-179.5-56.4-176.9000112.5L596 L605 L633 L669 Q672 L674 W702L596-L697 HydrophobicContact CD1-CD2 4.03Å; L605-L697 HydrophobicContact CD2-CD1 4.23Å; L633-L697 HydrophobicContact CD2-CD1 3.8Å; L669-L697 HydrophobicContact CD2-CD1 3.91Å; L669-L697 VanDerWaalsContact O-CB 3.29Å; L669-L697 WeakPolarHBondContact O-CB 3.5Å; Q672-L697 HydrophobicContact CB-CD1 4.2Å; Q672-L697 WeakPolarHBondContact O-CB 3.43Å; Q672-L697 PolarHBondContact O-N 3.09Å; L674-L697 HydrophobicContact CB-CD1 4.21Å; L674-L697 HydrophobicContact CB-CD2 4.1Å; L674-L697 HydrophobicContact CB-CG 4.28Å; L697-W702 HydrophobicContact CB-CZ2 4.13Å; L697-W702 HydrophobicContact CD2-CH2 4.27Å; L697-W702 HydrophobicContact CD2-CZ2 4.28Å
698E85.1Confident83.8Confident134 Ų13455 Ų5563%0.62628%0.278SS*.SBendtrans-70.3-50.7168-170.1175.2-178.200111K670 D696 W700K670-E698 VanDerWaalsContact O-CB 3.32Å; K670-E698 WeakPolarHBondContact O-CB 3.47Å; D696-E698 WeakPolarHBondContact OD1-CB 3.23Å; D696-E698 PolarHBondContact OD1-N 3.46Å; E698-W700 VanDerWaalsContact C-N 3.3Å; E698-W700 PolarHBondContact O-N 2.82Å
699T82.5Confident83.5Confident120 Ų12057.8 Ų57.874%0.73629%0.287SS*.SBendtrans-85.20.4-178.558.50000113.7D701T699-D701 PolarHBondContact O-N 3.32Å
700W83.6Confident83.5Confident26 Ų2658.9 Ų58.910%0.09829%0.293CS..  trans-75.7111.3177.8-172.8-89.8000111.1L596 L695 E698 W702 N707 Y713L596-W700 HydrophobicContact CB-CZ2 3.9Å; L596-W700 HydrophobicContact CD1-CD2 4.14Å; L596-W700 HydrophobicContact CD1-CE3 4.35Å; L596-W700 HydrophobicContact CD1-CH2 4.09Å; L596-W700 HydrophobicContact CD1-CZ2 3.86Å; L596-W700 HydrophobicContact CD1-CZ3 4.34Å; L596-W700 HydrophobicContact CG-CH2 4.4Å; L596-W700 HydrophobicContact CG-CZ2 4.05Å; L695-W700 HydrophobicContact CD1-CE3 4.29Å; L695-W700 HydrophobicContact CD1-CH2 4.31Å; L695-W700 HydrophobicContact CD1-CZ3 3.74Å; L695-W700 HydrophobicContact CD2-CZ3 4.48Å; E698-W700 VanDerWaalsContact C-N 3.3Å; E698-W700 PolarHBondContact O-N 2.82Å; W700-W702 HydrophobicContact CB-CZ2 4.38Å; W700-W702 AromaticContact CD1-CD2 3.64Å; W700-W702 AromaticContact CD1-CE2 3.68Å; W700-W702 AromaticContact CD1-CE3 3.8Å; W700-W702 AromaticContact CD1-CZ2 3.89Å; W700-W702 AromaticContact CD1-CZ3 3.99Å; W700-W702 HydrophobicContact CG-CZ2 4.38Å; W700-W702 PolarHBondContact O-N 2.91Å; W700-W702 VanDerWaalsContact O-N 3.16Å; W700-W702 PolarHBondContact O-NE1 2.88Å; W700-W702 VanDerWaalsContact O-NE1 3.12Å; W700-N707 HydrophobicContact CH2-CB 4.35Å; W700-N707 HydrophobicContact CZ2-CB 3.63Å; W700-N707 WeakPolarHBondContact CZ2-O 3.34Å; W700-Y713 WeakPolarHBondContact CH2-OH 3.47Å
701D81.6Confident83.5Confident79 Ų7962.1 Ų62.142%0.42231%0.307SS..  trans-67110.7170173.3-3.4000110.1T699 D703 S704 N707T699-D701 PolarHBondContact O-N 3.32Å; D701-D703 PolarHBondContact OD1-N 2.97Å; D701-S704 VanDerWaalsContact CG-CB 3.42Å; D701-S704 PolarHBondContact OD1-N 3.11Å; D701-S704 WeakPolarHBondContact OD2-CB 3.38Å; D701-N707 WeakPolarHBondContact O-CB 3.23Å; D701-N707 PolarHBondContact O-ND2 3.22Å
702W80.2Confident83.7Confident18 Ų1867 Ų677%0.06833%0.325CS..SBendtrans-82-16-176.9-66.294.2000114.1L605 L669 L697 W700 K708L605-W702 HydrophobicContact CD1-CH2 3.57Å; L605-W702 HydrophobicContact CD1-CZ3 3.6Å; L669-W702 HydrophobicContact CB-CZ2 4.4Å; L669-W702 HydrophobicContact CD1-CH2 4.26Å; L669-W702 HydrophobicContact CD1-CZ2 4.39Å; L697-W702 HydrophobicContact CB-CZ2 4.13Å; L697-W702 HydrophobicContact CD2-CH2 4.27Å; L697-W702 HydrophobicContact CD2-CZ2 4.28Å; W700-W702 HydrophobicContact CB-CZ2 4.38Å; W700-W702 AromaticContact CD1-CD2 3.64Å; W700-W702 AromaticContact CD1-CE2 3.68Å; W700-W702 AromaticContact CD1-CE3 3.8Å; W700-W702 AromaticContact CD1-CZ2 3.89Å; W700-W702 AromaticContact CD1-CZ3 3.99Å; W700-W702 HydrophobicContact CG-CZ2 4.38Å; W700-W702 PolarHBondContact O-N 2.91Å; W700-W702 VanDerWaalsContact O-N 3.16Å; W700-W702 PolarHBondContact O-NE1 2.88Å; W700-W702 VanDerWaalsContact O-NE1 3.12Å; W702-K708 WeakPolarHBondContact O-CE 3.47Å; W702-K708 PolarHBondContact O-NZ 2.9Å; W702-K708 VanDerWaalsContact O-NZ 3.14Å
703D73.9Confident83.7Confident121 Ų12167.7 Ų67.765%0.64733%0.327SS*.SBendtrans-109.9-21.1-167.6-59.7-48.3000111.5D701 K705D701-D703 PolarHBondContact OD1-N 2.97Å; D703-K705 PolarHBondContact O-N 3.07Å
704S76.6Confident83.8Confident32 Ų3271.3 Ų71.322%0.22435%0.351CS..  trans-58.2118.9166.71690000112.6D701 Q706 N707D701-S704 VanDerWaalsContact CG-CB 3.42Å; D701-S704 PolarHBondContact OD1-N 3.11Å; D701-S704 WeakPolarHBondContact OD2-CB 3.38Å; S704-Q706 PolarHBondContact O-N 3.12Å; S704-Q706 PolarHBondContact OG-N 2.8Å; S704-Q706 VanDerWaalsContact OG-N 3.16Å; S704-N707 PolarHBondContact O-N 2.74Å
705K72.2Confident83.9Confident172 Ų17267.5 Ų67.575%0.74833%0.333SS*.THydrogen-bonded Turntrans-56.8-14.7171.1-63.8177.9-178.21730113.5D703 Q709D703-K705 PolarHBondContact O-N 3.07Å; K705-Q709 WeakPolarHBondContact O-CG 3.23Å; K705-Q709 PolarHBondContact O-NE2 3.46Å
706Q70.3Confident84Confident129 Ų12973.3 Ų73.360%0.60336%0.358SS*.THydrogen-bonded Turntrans-81.9-33.7173.9-59.2-171.79.500112.4S704 K708 Q709 K711S704-Q706 PolarHBondContact O-N 3.12Å; S704-Q706 PolarHBondContact OG-N 2.8Å; S704-Q706 VanDerWaalsContact OG-N 3.16Å; Q706-K708 VanDerWaalsContact C-N 3.35Å; Q706-Q709 WeakPolarHBondContact O-CB 3.43Å; Q706-Q709 PolarHBondContact O-N 3.09Å; Q706-Q709 VanDerWaalsContact O-N 3.15Å; Q706-K711 VanDerWaalsContact O-CE 3.26Å; Q706-K711 WeakPolarHBondContact O-CE 3.39Å
707N71.2Confident83.6Confident23 Ų2377.8 Ų77.812%0.12337%0.371CS..THydrogen-bonded Turntrans-74.8-26.7-178.5-78.5-7.5000112.7W700 D701 S704 Q709 K711W700-N707 HydrophobicContact CH2-CB 4.35Å; W700-N707 HydrophobicContact CZ2-CB 3.63Å; W700-N707 WeakPolarHBondContact CZ2-O 3.34Å; D701-N707 WeakPolarHBondContact O-CB 3.23Å; D701-N707 PolarHBondContact O-ND2 3.22Å; S704-N707 PolarHBondContact O-N 2.74Å; N707-Q709 PolarHBondContact O-N 3.27Å; N707-K711 PolarHBondContact OD1-NZ 3.13Å
708K76.6Confident82.7Confident52 Ų5279.4 Ų79.423%0.22638%0.378CS..THydrogen-bonded Turntrans-74.3-6.8169-56.4-177.3-168.4-99.20113.5N160 N163 D597 W702 Q706N160-K708 PolarHBondContact ND2-O 3.37Å; N163-K708 PolarHBondContact ND2-O 2.75Å; D597-K708 IonicContact OD1-NZ 3.31Å; D597-K708 PolarHBondContact OD1-NZ 2.82Å; W702-K708 WeakPolarHBondContact O-CE 3.47Å; W702-K708 PolarHBondContact O-NZ 2.9Å; W702-K708 VanDerWaalsContact O-NZ 3.14Å; Q706-K708 VanDerWaalsContact C-N 3.35Å
709Q81Confident81Confident99 Ų9978.2 Ų78.246%0.46338%0.38SS..SBendtrans-85.8166.6175.9-71.7175.249.900112.5A595 K705 Q706 N707 K711A595-Q709 WeakPolarHBondContact CB-O 3.3Å; K705-Q709 WeakPolarHBondContact O-CG 3.23Å; K705-Q709 PolarHBondContact O-NE2 3.46Å; Q706-Q709 WeakPolarHBondContact O-CB 3.43Å; Q706-Q709 PolarHBondContact O-N 3.09Å; Q706-Q709 VanDerWaalsContact O-N 3.15Å; N707-Q709 PolarHBondContact O-N 3.27Å; Q709-K711 PolarHBondContact O-N 3.21Å; Q709-K711 VanDerWaalsContact O-N 3.12Å
710L89.5Confident79.3Confident34 Ų3475.3 Ų75.318%0.17837%0.369CS..  trans-86.383.9-167.6-156.367.7000111.2N160 Q593 A595 F608 A610N160-L710 HydrophobicContact CB-CB 4.32Å; N160-L710 HydrophobicContact CB-CD1 4.38Å; Q593-L710 HydrophobicContact CG-CD2 4.43Å; Q593-L710 HydrophobicContact CG-CG 3.93Å; Q593-L710 PolarHBondContact NE2-O 3.5Å; A595-L710 HydrophobicContact CB-CD1 3.87Å; F608-L710 HydrophobicContact CD1-CD1 3.49Å; F608-L710 VanDerWaalsContact CD1-CD1 3.49Å; F608-L710 HydrophobicContact CE1-CD1 3.6Å; F608-L710 HydrophobicContact CE1-CD2 4.36Å; A610-L710 HydrophobicContact CB-CD1 3.99Å; A610-L710 HydrophobicContact CB-CD2 3.78Å; A610-L710 HydrophobicContact CB-CG 4.24Å
711K90.8Very high77.3Confident68 Ų6878.9 Ų78.930%0.29640%0.395SS..EExtended strand (participates in β ladder)trans-82.7147.8-173.8-72.6-178.2172.4-177.60112.4Q593 F594 Q706 N707 Q709 Y713Q593-K711 WeakPolarHBondContact CA-O 3.25Å; Q593-K711 WeakPolarHBondContact CG-O 3.23Å; F594-K711 PolarHBondContact N-O 2.93Å; F594-K711 VanDerWaalsContact N-O 3.09Å; F594-K711 PolarHBondContact O-N 3.23Å; Q706-K711 VanDerWaalsContact O-CE 3.26Å; Q706-K711 WeakPolarHBondContact O-CE 3.39Å; N707-K711 PolarHBondContact OD1-NZ 3.13Å; Q709-K711 PolarHBondContact O-N 3.21Å; Q709-K711 VanDerWaalsContact O-N 3.12Å; K711-Y713 HydrophobicContact CB-CD2 4.39Å; K711-Y713 HydrophobicContact CB-CE2 3.54Å
712W94.6Very high75Confident102 Ų10280.5 Ų80.539%0.38641%0.408SS..EExtended strand (participates in β ladder)trans-94.1134.1172.1-79.3103.4000110.3Q593 Q611 K613Q593-W712 HydrophobicContact CB-CD2 3.71Å; Q593-W712 HydrophobicContact CB-CE3 3.67Å; Q593-W712 HydrophobicContact CB-CG 4.4Å; Q593-W712 HydrophobicContact CB-CH2 3.91Å; Q593-W712 HydrophobicContact CB-CZ2 3.93Å; Q593-W712 HydrophobicContact CB-CZ3 3.76Å; Q593-W712 HydrophobicContact CG-CD2 3.65Å; Q593-W712 HydrophobicContact CG-CE3 4.15Å; Q593-W712 HydrophobicContact CG-CG 3.88Å; Q593-W712 HydrophobicContact CG-CZ2 4.14Å; Q611-W712 HydrophobicContact CG-CH2 3.85Å; Q611-W712 HydrophobicContact CG-CZ2 4.18Å; K613-W712 HydrophobicContact CB-CH2 3.85Å; K613-W712 HydrophobicContact CB-CZ3 4Å; K613-W712 HydrophobicContact CD-CE3 4.23Å; K613-W712 HydrophobicContact CD-CH2 3.85Å; K613-W712 HydrophobicContact CD-CZ2 4.26Å; K613-W712 HydrophobicContact CD-CZ3 3.84Å; K613-W712 HydrophobicContact CG-CE3 4.2Å; K613-W712 HydrophobicContact CG-CH2 3.76Å; K613-W712 HydrophobicContact CG-CZ3 3.51Å
713Y94.5Very high72.8Confident36 Ų3684.5 Ų84.514%0.14144%0.444CS..EExtended strand (participates in β ladder)trans-124.2127.3177.8-64.6-89.2000110.1S591 V592 F594 V693 L695 W700 K711S591-Y713 CarbonylContact C-O 3.59Å; S591-Y713 VanDerWaalsContact CA-O 3.23Å; S591-Y713 WeakPolarHBondContact CA-O 2.91Å; S591-Y713 VanDerWaalsContact CB-O 3.31Å; S591-Y713 WeakPolarHBondContact CB-O 3.39Å; V592-Y713 PolarHBondContact N-O 3.41Å; V592-Y713 PolarHBondContact O-N 3.11Å; F594-Y713 AromaticContact CD1-CD2 3.64Å; F594-Y713 HydrophobicContact CD1-CD2 3.64Å; F594-Y713 HydrophobicContact CD1-CE2 4.1Å; F594-Y713 HydrophobicContact CD2-CE2 4.5Å; F594-Y713 AromaticContact CE1-CD2 3.2Å; F594-Y713 HydrophobicContact CE1-CD2 3.2Å; F594-Y713 AromaticContact CE1-CE2 3.73Å; F594-Y713 HydrophobicContact CE1-CE2 3.73Å; F594-Y713 AromaticContact CE1-CG 3.75Å; F594-Y713 HydrophobicContact CE1-CG 3.75Å; F594-Y713 HydrophobicContact CE2-CD2 4.44Å; F594-Y713 HydrophobicContact CE2-CE2 4.15Å; F594-Y713 HydrophobicContact CG-CD2 4.44Å; F594-Y713 HydrophobicContact CG-CE2 4.48Å; F594-Y713 AromaticContact CZ-CD2 3.67Å; F594-Y713 HydrophobicContact CZ-CD2 3.67Å; F594-Y713 AromaticContact CZ-CE2 3.76Å; F594-Y713 HydrophobicContact CZ-CE2 3.76Å; F594-Y713 HydrophobicContact CZ-CG 4.17Å; V693-Y713 HydrophobicContact CG1-CD1 4Å; V693-Y713 HydrophobicContact CG1-CG 4.04Å; L695-Y713 HydrophobicContact CD1-CE1 4.27Å; L695-Y713 HydrophobicContact CD2-CD1 4.2Å; L695-Y713 HydrophobicContact CD2-CE1 3.74Å; W700-Y713 WeakPolarHBondContact CH2-OH 3.47Å; K711-Y713 HydrophobicContact CB-CD2 4.39Å; K711-Y713 HydrophobicContact CB-CE2 3.54Å
714P95.5Very high71Confident87 Ų8785.1 Ų85.157%0.56545%0.447SS*.EExtended strand (participates in β ladder)trans-69.1139.1175.329.8-34000110.2
715L94.4Very high69.1Low15 Ų1591.6 Ų91.68%0.07947%0.474CS..PPolyproline II helixtrans-79.2131.2177.6-66.2178.9000110.7V588 G590 V592 L615 V678 V693V588-L715 HydrophobicContact CG1-CB 3.86Å; G590-L715 PolarHBondContact O-N 3.46Å; G590-L715 VanDerWaalsContact O-N 3.08Å; V592-L715 HydrophobicContact CB-CD2 4.24Å; V592-L715 HydrophobicContact CG1-CD2 3.77Å; L615-L715 HydrophobicContact CD2-CD1 3.3Å; V678-L715 HydrophobicContact CB-CD1 4.34Å; V678-L715 HydrophobicContact CG2-CD1 3.96Å; V678-L715 HydrophobicContact CG2-CD2 3.69Å; V693-L715 HydrophobicContact CG2-CD2 3.96Å
716K90.7Very high67.9Low147 Ų14790 Ų9064%0.63948%0.478SS*.BIsolated β-bridgetrans-99.3146.1177.1-62.2-177.5179.6-179.20111G691 E692G691-K716 WeakPolarHBondContact CA-O 3.49Å; E692-K716 PolarHBondContact N-O 2.96Å; E692-K716 PolarHBondContact O-N 2.94Å
717R83.2Confident67.2Low139 Ų13989.5 Ų89.553%0.52548%0.476SS..PPolyproline II helixtrans-58.4143.5161.8-82-170.6172.6101.1-7.9108.2E587 V588 T719E587-R717 IonicContact OE1-CZ 2.65Å; E587-R717 IonicContact OE1-NH1 2.67Å; E587-R717 PolarHBondContact OE1-NH1 3.3Å; E587-R717 IonicContact OE1-NH2 2.74Å; E587-R717 PolarHBondContact OE1-NH2 3.39Å; V588-R717 HydrophobicContact CB-CG 3.76Å; V588-R717 HydrophobicContact CG2-CB 4.5Å; V588-R717 HydrophobicContact CG2-CG 3.93Å; R717-T719 PolarHBondContact O-N 3.26Å; R717-T719 VanDerWaalsContact O-N 3.17Å
718K68.3Low66.9Low35 Ų3593.4 Ų93.415%0.15250%0.497CS..  trans-81.594.4171.5-171.8155.4-16190.20109.3V578 F583 F689 E692 A720V578-K718 WeakPolarHBondContact O-CE 3.37Å; F583-K718 HydrophobicContact CD2-CB 4.05Å; F583-K718 HydrophobicContact CD2-CD 4.38Å; F583-K718 HydrophobicContact CD2-CG 4.19Å; F583-K718 HydrophobicContact CE1-CD 4.28Å; F583-K718 HydrophobicContact CE2-CB 4.14Å; F583-K718 HydrophobicContact CE2-CD 3.64Å; F583-K718 HydrophobicContact CE2-CG 3.78Å; F583-K718 HydrophobicContact CZ-CD 3.6Å; F583-K718 HydrophobicContact CZ-CG 4.27Å; F689-K718 HydrophobicContact CE1-CB 3.7Å; F689-K718 HydrophobicContact CE2-CB 4.4Å; F689-K718 HydrophobicContact CZ-CB 3.64Å; E692-K718 WeakPolarHBondContact OE1-CD 3.34Å; E692-K718 WeakPolarHBondContact OE1-CE 3.31Å; E692-K718 WeakPolarHBondContact OE1-CG 3.01Å; E692-K718 IonicContact OE1-NZ 3.01Å; E692-K718 PolarHBondContact OE1-NZ 3.17Å; E692-K718 IonicContact OE2-NZ 2.79Å; E692-K718 PolarHBondContact OE2-NZ 3.46Å; K718-A720 PolarHBondContact O-N 3.06Å
719T50.3Low67.2Low108 Ų10892.1 Ų92.166%0.66349%0.491SS*.  trans-60.8127.2163.1-40.70000107.3R717 V722R717-T719 PolarHBondContact O-N 3.26Å; R717-T719 VanDerWaalsContact O-N 3.17Å; T719-V722 HydrophobicContact CG2-CG2 4.12Å
720A46.2Very low67.6Low60 Ų6087.5 Ų87.550%0.49647%0.47SS..  trans-59.8142.2164.900000108.2K718 V722K718-A720 PolarHBondContact O-N 3.06Å; A720-V722 PolarHBondContact O-N 3.5Å
721P40.9Very low67.9Low100 Ų10089.8 Ų89.865%0.64948%0.479SS*.  trans-59.7112-176.223.4-32.9000110.3A723P721-A723 VanDerWaalsContact C-N 3.3Å; P721-A723 PolarHBondContact O-N 3.05Å
722V34Very low68.2Low114 Ų11486.5 Ų86.569%0.69147%0.465SS*.  trans-78.482.3179.6-179.40000108.3T719 A720 L724T719-V722 HydrophobicContact CG2-CG2 4.12Å; A720-V722 PolarHBondContact O-N 3.5Å; V722-L724 PolarHBondContact O-N 3.48Å
723A33.9Very low68.3Low101 Ų10184.5 Ų84.584%0.83546%0.459SS*.SBendtrans48.413.7163.900000118.7P721P721-A723 VanDerWaalsContact C-N 3.3Å; P721-A723 PolarHBondContact O-N 3.05Å
724L35.3Very low68.5Low135 Ų13582.8 Ų82.871%0.70745%0.453SS*.  trans-116.5161.7177.8-101.172.5000110.7V722V722-L724 PolarHBondContact O-N 3.48Å
725E37.8Very low68.6Low168 Ų16878.7 Ų78.779%0.78543%0.426SS*.SBendtrans63.186.2-164.8-54.3-49.112600112.8E727E725-E727 VanDerWaalsContact C-N 3.28Å; E725-E727 PolarHBondContact O-N 2.83Å
726T46.8Very low68.8Low138 Ų13878 Ų7885%0.84742%0.422SS*.  trans-6479.9175.7-460000111.3N728T726-N728 VanDerWaalsContact C-N 3.27Å; T726-N728 PolarHBondContact O-N 3.18Å
727E55.2Low69.1Low118 Ų11872.3 Ų72.355%0.55140%0.398SS*.  trans-5995.8156-84.9-165.715200107.5E725 R729E725-E727 VanDerWaalsContact C-N 3.28Å; E725-E727 PolarHBondContact O-N 2.83Å; E727-R729 HydrophobicContact CB-CG 4.5Å; E727-R729 WeakPolarHBondContact O-CG 3.23Å; E727-R729 PolarHBondContact O-N 2.84Å; E727-R729 IonicContact OE2-CZ 4Å; E727-R729 IonicContact OE2-NE 2.58Å; E727-R729 PolarHBondContact OE2-NE 3.17Å; E727-R729 IonicContact OE2-NH2 3.22Å; E727-R729 PolarHBondContact OE2-NH2 3.37Å
728N65.9Low69.6Low105 Ų10566.4 Ų66.456%0.56138%0.376SS*.  trans-59.7113.1174.6-177.41.1000108.7T726 G730T726-N728 VanDerWaalsContact C-N 3.27Å; T726-N728 PolarHBondContact O-N 3.18Å; N728-G730 WeakPolarHBondContact OD1-CA 3.32Å; N728-G730 PolarHBondContact OD1-N 3.08Å
729R81.8Confident70.8Confident25 Ų2566.2 Ų66.29%0.09438%0.378CS..  trans-104.314-179.9-50.2-150.7159.5-159.13.6112.6E727 P765 L837 L884 M886E727-R729 HydrophobicContact CB-CG 4.5Å; E727-R729 WeakPolarHBondContact O-CG 3.23Å; E727-R729 PolarHBondContact O-N 2.84Å; E727-R729 IonicContact OE2-CZ 4Å; E727-R729 IonicContact OE2-NE 2.58Å; E727-R729 PolarHBondContact OE2-NE 3.17Å; E727-R729 IonicContact OE2-NH2 3.22Å; E727-R729 PolarHBondContact OE2-NH2 3.37Å; R729-P765 HydrophobicContact CB-CG 4.43Å; R729-P765 WeakPolarHBondContact O-CD 3.34Å; R729-L837 WeakPolarHBondContact CD-O 3.13Å; R729-L837 PolarHBondContact NH1-O 2.84Å; R729-L884 HydrophobicContact CB-CB 3.96Å; R729-L884 WeakPolarHBondContact CB-O 3.35Å; R729-L884 WeakPolarHBondContact O-CD1 3.35Å; R729-M886 PolarHBondContact NH1-SD 2.84Å
730G89.8Confident72.7Confident2 Ų263.1 Ų63.12%0.02136%0.359CS..  trans78.9-177.1-166.700000112.4N728 L762 D763 L884N728-G730 WeakPolarHBondContact OD1-CA 3.32Å; N728-G730 PolarHBondContact OD1-N 3.08Å; G730-L762 CarbonylContact C-O 3.55Å; G730-L762 WeakPolarHBondContact CA-O 3.2Å; G730-D763 WeakPolarHBondContact CA-O 3.42Å; G730-D763 PolarHBondContact N-O 2.89Å; G730-L884 VanDerWaalsContact O-CB 3.29Å; G730-L884 WeakPolarHBondContact O-CB 3.44Å; G730-L884 PolarHBondContact O-N 3Å
731E95.5Very high74.2Confident82 Ų8264.2 Ų64.238%0.38335%0.354SS..EExtended strand (participates in β ladder)trans-123.1159-179.1-60.1175.2171.600109.6C761 L762 T881 L882E731-C761 CarbonylContact O-C 3.59Å; E731-C761 WeakPolarHBondContact O-CA 3.44Å; E731-C761 VanDerWaalsContact O-CB 3.32Å; E731-C761 WeakPolarHBondContact O-CB 3.22Å; E731-L762 HydrophobicContact CB-CB 4.44Å; E731-L762 PolarHBondContact N-O 3.49Å; E731-L762 PolarHBondContact O-N 2.88Å; E731-T881 HydrophobicContact CB-CG2 3.67Å; E731-T881 HydrophobicContact CG-CG2 4.32Å; E731-T881 WeakPolarHBondContact OE2-CG2 3.09Å; E731-L882 CarbonylContact C-O 3.52Å; E731-L882 WeakPolarHBondContact CA-O 3.4Å
732M97.1Very high75.4Confident0 Ų064.4 Ų64.40%036%0.355CS..EExtended strand (participates in β ladder)trans-120.9126.9166.9-172-175.2-40.800110L734 V758 V776 L824 V826 L840 T881 L882 L884M732-L734 HydrophobicContact CB-CD2 4.43Å; M732-L734 HydrophobicContact CG-CD2 4.04Å; M732-L734 HydrophobicContact SD-CD2 3.96Å; M732-V758 HydrophobicContact SD-CG1 3.99Å; M732-V776 HydrophobicContact CE-CG1 4.13Å; M732-V776 HydrophobicContact CE-CG2 4.38Å; M732-L824 HydrophobicContact CE-CB 4.12Å; M732-L824 HydrophobicContact SD-CB 4.45Å; M732-L824 HydrophobicContact SD-CD1 4.01Å; M732-V826 HydrophobicContact CE-CG2 3.5Å; M732-L840 HydrophobicContact CB-CD1 4.01Å; M732-L840 HydrophobicContact CE-CD1 4.43Å; M732-L840 HydrophobicContact SD-CD1 4.44Å; M732-T881 WeakPolarHBondContact O-CA 3.35Å; M732-L882 PolarHBondContact N-O 3.22Å; M732-L882 PolarHBondContact O-N 3.01Å; M732-L884 HydrophobicContact CB-CD2 4.06Å; M732-L884 HydrophobicContact CB-CG 4.41Å; M732-L884 HydrophobicContact CE-CD2 3.79Å
733K97.9Very high76.5Confident60 Ų6064.4 Ų64.426%0.26136%0.36SS..EExtended strand (participates in β ladder)trans-101.2122.6173.9179.5171.1157.7-154.40109.2K759 E760 E879 A880 T881K733-K759 WeakPolarHBondContact O-CB 3.37Å; K733-K759 PolarHBondContact O-N 2.77Å; K733-K759 VanDerWaalsContact O-N 3.07Å; K733-E760 HydrophobicContact CB-CG 3.96Å; K733-E760 HydrophobicContact CD-CG 4.26Å; K733-E760 WeakPolarHBondContact CD-OE1 3.28Å; K733-E760 WeakPolarHBondContact CE-OE1 3.12Å; K733-E760 PolarHBondContact N-O 2.92Å; K733-E760 IonicContact NZ-OE1 2.7Å; K733-E760 PolarHBondContact NZ-OE1 3.35Å; K733-E760 PolarHBondContact O-N 2.7Å; K733-E879 WeakPolarHBondContact CE-OE1 3.41Å; K733-A880 WeakPolarHBondContact CA-O 3.33Å; K733-T881 HydrophobicContact CB-CG2 4.34Å
734L98Very high77.3Confident0 Ų065.2 Ų65.20%036%0.357CS..EExtended strand (participates in β ladder)trans-148.5160.9-172.468.9112.8000111.2M732 L736 W757 L824 L840 I842 L866 E879 A880M732-L734 HydrophobicContact CB-CD2 4.43Å; M732-L734 HydrophobicContact CG-CD2 4.04Å; M732-L734 HydrophobicContact SD-CD2 3.96Å; L734-L736 HydrophobicContact CD1-CD2 3.65Å; L734-L736 HydrophobicContact CD1-CG 3.9Å; L734-W757 CarbonylContact C-O 3.5Å; L734-W757 VanDerWaalsContact CA-O 3.26Å; L734-W757 WeakPolarHBondContact CA-O 3.2Å; L734-W757 WeakPolarHBondContact CB-O 3.28Å; L734-L824 HydrophobicContact CD1-CD1 4.37Å; L734-L824 HydrophobicContact CD2-CD1 4.03Å; L734-L840 HydrophobicContact CD2-CD1 3.61Å; L734-I842 HydrophobicContact CD1-CD1 3.8Å; L734-I842 HydrophobicContact CD2-CD1 4.03Å; L734-L866 HydrophobicContact CD1-CD2 3.94Å; L734-L866 HydrophobicContact CG-CD2 4.45Å; L734-E879 WeakPolarHBondContact O-CA 3.26Å; L734-A880 PolarHBondContact N-O 3.07Å; L734-A880 PolarHBondContact O-N 2.59Å; L734-A880 VanDerWaalsContact O-N 3.09Å; L734-A880 VanDerWaalsContact O-O 3.12Å
735A97.9Very high78.2Confident1 Ų162.3 Ų62.31%0.00836%0.36CS..EExtended strand (participates in β ladder)trans-127.2144.117200000110.7W757 W877 V878 E879A735-W757 HydrophobicContact CB-CB 4.44Å; A735-W757 HydrophobicContact CB-CE3 4.15Å; A735-W757 PolarHBondContact N-O 3.17Å; A735-W757 PolarHBondContact O-N 2.92Å; A735-W877 HydrophobicContact CB-CE3 3.69Å; A735-W877 HydrophobicContact CB-CZ3 4.25Å; A735-W877 WeakPolarHBondContact O-CZ3 3.4Å; A735-V878 CarbonylContact C-O 3.49Å; A735-V878 WeakPolarHBondContact CA-O 3.44Å; A735-E879 HydrophobicContact CB-CB 4.13Å
736L97.6Very high78.7Confident0 Ų064.1 Ų64.10%037%0.365CS..EExtended strand (participates in β ladder)trans-116.9150.9176.2-57.4-175000110.3L734 H755 I756 I842 L866 W867 M870 W877 V878L734-L736 HydrophobicContact CD1-CD2 3.65Å; L734-L736 HydrophobicContact CD1-CG 3.9Å; L736-H755 WeakPolarHBondContact CA-O 3.46Å; L736-I756 HydrophobicContact CD2-CB 4.11Å; L736-I756 HydrophobicContact CD2-CG1 3.73Å; L736-I756 HydrophobicContact CD2-CG2 3.98Å; L736-I842 HydrophobicContact CD1-CG2 3.82Å; L736-L866 HydrophobicContact CD1-CD2 4.07Å; L736-L866 HydrophobicContact CD1-CG 4Å; L736-L866 HydrophobicContact CG-CD2 4.27Å; L736-L866 HydrophobicContact CG-CG 4.41Å; L736-W867 HydrophobicContact CD1-CE3 3.9Å; L736-W867 HydrophobicContact CD1-CZ3 4.22Å; L736-M870 HydrophobicContact CB-CB 4.27Å; L736-M870 HydrophobicContact CB-CG 3.95Å; L736-M870 HydrophobicContact CB-SD 3.72Å; L736-M870 HydrophobicContact CD1-SD 4.19Å; L736-W877 CarbonylContact O-C 3.49Å; L736-W877 WeakPolarHBondContact O-CA 3.34Å; L736-V878 HydrophobicContact CB-CG2 4.05Å; L736-V878 PolarHBondContact N-O 3.39Å; L736-V878 WeakPolarHBondContact O-CG2 3.41Å; L736-V878 PolarHBondContact O-N 2.89Å
737Q96.7Very high79.1Confident28 Ų2867 Ų6713%0.13137%0.366CS..EExtended strand (participates in β ladder)trans-148.1126.1171177.3-172.841.500108.5V739 H755 N875 W877Q737-V739 HydrophobicContact CG-CG2 3.93Å; Q737-H755 HydrophobicContact CB-CB 4.24Å; Q737-H755 PolarHBondContact N-O 3.41Å; Q737-H755 PolarHBondContact O-N 2.88Å; Q737-N875 PolarHBondContact NE2-O 3.38Å; Q737-W877 HydrophobicContact CB-CD2 3.72Å; Q737-W877 HydrophobicContact CB-CE3 3.73Å; Q737-W877 HydrophobicContact CB-CG 4.21Å; Q737-W877 HydrophobicContact CB-CH2 4.32Å; Q737-W877 HydrophobicContact CB-CZ2 4.29Å; Q737-W877 HydrophobicContact CB-CZ3 4.03Å; Q737-W877 HydrophobicContact CG-CD2 4.5Å; Q737-W877 VanDerWaalsContact OE1-NE1 3.14Å
738Y95.1Very high78.9Confident15 Ų1568.3 Ų68.36%0.05938%0.376CS..EExtended strand (participates in β ladder)trans-92.2129.9165.3176.5-125.1000109.1P740 E753 V754 F812 L817 N875Y738-P740 HydrophobicContact CD1-CG 4.02Å; Y738-P740 HydrophobicContact CE1-CB 4.22Å; Y738-P740 HydrophobicContact CE1-CG 3.69Å; Y738-E753 WeakPolarHBondContact CD2-O 3.11Å; Y738-V754 HydrophobicContact CD2-CG2 3.94Å; Y738-F812 HydrophobicContact CE2-CB 4.44Å; Y738-L817 HydrophobicContact CD1-CD1 3.75Å; Y738-L817 HydrophobicContact CD2-CD1 4.02Å; Y738-L817 HydrophobicContact CD2-CD2 4.19Å; Y738-L817 HydrophobicContact CE1-CD1 3.62Å; Y738-L817 HydrophobicContact CE2-CD1 3.92Å; Y738-L817 HydrophobicContact CE2-CD2 4.32Å; Y738-L817 HydrophobicContact CG-CD1 3.96Å; Y738-N875 PolarHBondContact O-N 3.29Å
739V93.8Very high78.4Confident31 Ų3166.8 Ų66.819%0.18837%0.372CS..EExtended strand (participates in β ladder)trans-115.598.7177.3179.90000107.5Q737 G752 E753Q737-V739 HydrophobicContact CG-CG2 3.93Å; V739-G752 CarbonylContact O-C 3.51Å; V739-G752 WeakPolarHBondContact O-CA 3.36Å; V739-E753 HydrophobicContact CB-CB 4.43Å; V739-E753 PolarHBondContact N-O 2.66Å; V739-E753 PolarHBondContact O-N 2.98Å
740P89.3Confident78Confident42 Ų4269.3 Ų69.327%0.27339%0.39SS..PPolyproline II helixtrans-58.7151.2170.5-17.828.9000111Y738 P742 P874Y738-P740 HydrophobicContact CD1-CG 4.02Å; Y738-P740 HydrophobicContact CE1-CB 4.22Å; Y738-P740 HydrophobicContact CE1-CG 3.69Å; P740-P742 WeakPolarHBondContact O-CD 3.28Å; P740-P874 HydrophobicContact CG-CB 3.73Å
741E78.5Confident77.8Confident84 Ų8471.3 Ų71.339%0.39340%0.402SS..PPolyproline II helixtrans-58.9125.7173.3-169.5-167.7-156.500110.4S743 P749E741-S743 PolarHBondContact O-N 2.95Å; E741-P749 WeakPolarHBondContact OE1-CD 3.48Å
742P66Low77.5Confident103 Ų10367.5 Ų67.567%0.66939%0.385SS*.PPolyproline II helixtrans-70.9127.5169.229.7-32.4000109P740 P744P740-P742 WeakPolarHBondContact O-CD 3.28Å; P742-P744 VanDerWaalsContact C-CD 3.4Å; P742-P744 WeakPolarHBondContact O-CD 3.48Å
743S55.5Low77.4Confident115 Ų11571.5 Ų71.580%0.80440%0.403SS*.  trans-104.387.9-169.150.10000115.3E741E741-S743 PolarHBondContact O-N 2.95Å
744P51.5Low77.2Confident118 Ų11868.6 Ų68.677%0.76639%0.391SS*.  trans-116.297.8163.237.5-28.8000112.9P742P742-P744 VanDerWaalsContact C-CD 3.4Å; P742-P744 WeakPolarHBondContact O-CD 3.48Å
745G55.4Low77.2Confident74 Ų7469.7 Ų69.776%0.76340%0.396SS*.SBendtrans72.792.8148.200000119.4
746K47.8Very low77.2Confident205 Ų20569.7 Ų69.789%0.89140%0.395SS*.SBendtrans66.664.5150.2-55.6-178.9179.3178.40118.3
747K54.2Low77.2Confident200 Ų20070.6 Ų70.687%0.8740%0.399SS*.  -177.5135.6119.5-97.9158.1-174.5-179.50110.2P749K747-P749 WeakPolarHBondContact O-CD 3.4Å
748L52.1Low77.2Confident144 Ų14469.2 Ų69.275%0.75439%0.393SS*.  trans-60129.6-171.8-140.973.7000112.3T750L748-T750 VanDerWaalsContact CD1-OG1 3.28Å; L748-T750 WeakPolarHBondContact CD1-OG1 3.21Å; L748-T750 WeakPolarHBondContact CD2-OG1 3.18Å; L748-T750 VanDerWaalsContact CG-OG1 3.23Å; L748-T750 WeakPolarHBondContact CG-OG1 3.29Å
749P55.8Low77.3Confident74 Ų7469.6 Ų69.648%0.48139%0.394SS..  -137.7106.3106.336.1-24.8000113.6E741 K747 T751E741-P749 WeakPolarHBondContact OE1-CD 3.48Å; K747-P749 WeakPolarHBondContact O-CD 3.4Å; P749-T751 PolarHBondContact O-N 3.47Å
750T72.3Confident77.5Confident78 Ų7870.3 Ų70.348%0.47940%0.396SS..  trans-67.147.5-173.4-27.40000116.2L748L748-T750 VanDerWaalsContact CD1-OG1 3.28Å; L748-T750 WeakPolarHBondContact CD1-OG1 3.21Å; L748-T750 WeakPolarHBondContact CD2-OG1 3.18Å; L748-T750 VanDerWaalsContact CG-OG1 3.23Å; L748-T750 WeakPolarHBondContact CG-OG1 3.29Å
751T84.7Confident77.8Confident44 Ų4468.3 Ų68.327%0.2738%0.383SS..  trans-136.4126.6-169.952.60000112.4P749 G811 F812 R813P749-T751 PolarHBondContact O-N 3.47Å; T751-G811 WeakPolarHBondContact CG2-O 3.32Å; T751-F812 CarbonylContact C-O 3.49Å; T751-F812 WeakPolarHBondContact CA-O 3.17Å; T751-R813 HydrophobicContact CG2-CG 3.89Å
752G90.6Very high78.6Confident2 Ų266.9 Ų66.92%0.02138%0.378CS..EExtended strand (participates in β ladder)trans-85.2-179.1172.400000114V739 G811 F812V739-G752 CarbonylContact O-C 3.51Å; V739-G752 WeakPolarHBondContact O-CA 3.36Å; G752-G811 PolarHBondContact O-N 2.98Å; G752-F812 PolarHBondContact N-O 2.78Å; G752-F812 PolarHBondContact O-N 2.84Å
753E93.9Very high79.8Confident83 Ų8366.7 Ų66.739%0.38837%0.371SS..EExtended strand (participates in β ladder)trans-112.1140.1178.3-58.5-179.2160.500111.1Y738 V739 H755 V808 Y809Y738-E753 WeakPolarHBondContact CD2-O 3.11Å; V739-E753 HydrophobicContact CB-CB 4.43Å; V739-E753 PolarHBondContact N-O 2.66Å; V739-E753 PolarHBondContact O-N 2.98Å; E753-H755 IonicContact OE2-CD2 3.61Å; E753-H755 IonicContact OE2-CE1 2.67Å; E753-H755 PolarHBondContact OE2-CE1 3.46Å; E753-H755 IonicContact OE2-NE2 3.79Å; E753-H755 PolarHBondContact OE2-NE2 2.72Å; E753-V808 HydrophobicContact CB-CG1 4.23Å; E753-Y809 CarbonylContact C-O 3.6Å; E753-Y809 VanDerWaalsContact CA-O 3.29Å; E753-Y809 WeakPolarHBondContact CA-O 3.09Å
754V95.1Very high81.5Confident0 Ų061.4 Ų61.40%033%0.334CS..EExtended strand (participates in β ladder)trans-105.1117.9167.81760000109.1Y738 I756 Y809 F812 L817 W867 M870Y738-V754 HydrophobicContact CD2-CG2 3.94Å; V754-I756 HydrophobicContact CG1-CD1 4.32Å; V754-I756 HydrophobicContact CG1-CG1 4.13Å; V754-Y809 PolarHBondContact N-O 2.93Å; V754-Y809 PolarHBondContact O-N 2.92Å; V754-F812 HydrophobicContact CB-CD2 4.04Å; V754-F812 HydrophobicContact CB-CE2 3.61Å; V754-F812 HydrophobicContact CB-CZ 3.96Å; V754-F812 HydrophobicContact CG2-CD1 4.1Å; V754-F812 HydrophobicContact CG2-CD2 3.57Å; V754-F812 HydrophobicContact CG2-CE1 4.08Å; V754-F812 HydrophobicContact CG2-CE2 3.55Å; V754-F812 HydrophobicContact CG2-CG 3.84Å; V754-F812 HydrophobicContact CG2-CZ 3.8Å; V754-L817 HydrophobicContact CG2-CD2 3.71Å; V754-W867 HydrophobicContact CG1-CH2 4.4Å; V754-W867 HydrophobicContact CG1-CZ3 4.42Å; V754-M870 HydrophobicContact CG1-SD 4.16Å
755H96.7Very high83Confident23 Ų2357.1 Ų57.111%0.10631%0.306CS..EExtended strand (participates in β ladder)trans-101126.8179.4-69.3-118.1000109.8L736 Q737 E753 V808 W877L736-H755 WeakPolarHBondContact CA-O 3.46Å; Q737-H755 HydrophobicContact CB-CB 4.24Å; Q737-H755 PolarHBondContact N-O 3.41Å; Q737-H755 PolarHBondContact O-N 2.88Å; E753-H755 IonicContact OE2-CD2 3.61Å; E753-H755 IonicContact OE2-CE1 2.67Å; E753-H755 PolarHBondContact OE2-CE1 3.46Å; E753-H755 IonicContact OE2-NE2 3.79Å; E753-H755 PolarHBondContact OE2-NE2 2.72Å; H755-V808 WeakPolarHBondContact ND1-CG2 3.48Å; H755-W877 HydrophobicContact CB-CH2 3.67Å; H755-W877 HydrophobicContact CB-CZ2 4.22Å; H755-W877 HydrophobicContact CB-CZ3 4.26Å
756I97.6Very high84.2Confident0 Ų057.7 Ų57.70%029%0.291CS..EExtended strand (participates in β ladder)trans-123.6103-175.6-61.3153.4000108.4L736 V754 V758 I780 T806 M807 Y809 V822 L824L736-I756 HydrophobicContact CD2-CB 4.11Å; L736-I756 HydrophobicContact CD2-CG1 3.73Å; L736-I756 HydrophobicContact CD2-CG2 3.98Å; V754-I756 HydrophobicContact CG1-CD1 4.32Å; V754-I756 HydrophobicContact CG1-CG1 4.13Å; I756-V758 HydrophobicContact CG2-CG2 4.38Å; I756-I780 HydrophobicContact CD1-CD1 3.99Å; I756-T806 CarbonylContact O-C 3.48Å; I756-T806 WeakPolarHBondContact O-CA 3.46Å; I756-M807 PolarHBondContact N-O 2.67Å; I756-M807 PolarHBondContact O-N 3.36Å; I756-Y809 HydrophobicContact CD1-CD2 3.79Å; I756-Y809 HydrophobicContact CD1-CE2 3.75Å; I756-V822 HydrophobicContact CD1-CG1 3.58Å; I756-V822 HydrophobicContact CD1-CG2 4.09Å; I756-V822 HydrophobicContact CG1-CG1 4.32Å; I756-L824 HydrophobicContact CG2-CD1 4.37Å; I756-L824 HydrophobicContact CG2-CD2 4.32Å
757W97.8Very high85.1Confident19 Ų1952 Ų527%0.07227%0.27CS..EExtended strand (participates in β ladder)trans-96.599.9178.2179.215.9000110.5A233 P234 L734 A735 K759 N804 T806 W877A233-W757 HydrophobicContact CB-CE3 4.01Å; A233-W757 HydrophobicContact CB-CH2 4.19Å; A233-W757 HydrophobicContact CB-CZ3 3.58Å; P234-W757 VanDerWaalsContact CD-CZ2 3.48Å; P234-W757 HydrophobicContact CG-CZ2 4.13Å; L734-W757 CarbonylContact C-O 3.5Å; L734-W757 VanDerWaalsContact CA-O 3.26Å; L734-W757 WeakPolarHBondContact CA-O 3.2Å; L734-W757 WeakPolarHBondContact CB-O 3.28Å; A735-W757 HydrophobicContact CB-CB 4.44Å; A735-W757 HydrophobicContact CB-CE3 4.15Å; A735-W757 PolarHBondContact N-O 3.17Å; A735-W757 PolarHBondContact O-N 2.92Å; W757-K759 HydrophobicContact CD2-CD 4.49Å; W757-K759 HydrophobicContact CD2-CG 4.08Å; W757-K759 HydrophobicContact CG-CG 4.26Å; W757-K759 HydrophobicContact CH2-CD 4.4Å; W757-K759 HydrophobicContact CZ2-CD 4.16Å; W757-K759 HydrophobicContact CZ2-CG 4.19Å; W757-K759 PolarHBondContact O-N 2.87Å; W757-N804 PolarHBondContact NE1-OD1 2.85Å; W757-T806 HydrophobicContact CB-CG2 4.42Å; W757-W877 HydrophobicContact CB-CE3 4.41Å; W757-W877 HydrophobicContact CB-CH2 3.81Å; W757-W877 HydrophobicContact CB-CZ3 3.56Å; W757-W877 HydrophobicContact CE3-CE3 4.45Å
758V97.8Very high85.6Confident0 Ų045.7 Ų45.70%024%0.241CC..EExtended strand (participates in β ladder)trans-77.4111.1171.1-178.10000108.1M732 I756 V776 T792 F803 N804 H805 M807 L824M732-V758 HydrophobicContact SD-CG1 3.99Å; I756-V758 HydrophobicContact CG2-CG2 4.38Å; V758-V776 HydrophobicContact CG1-CG2 4.11Å; V758-T792 HydrophobicContact CB-CG2 4.46Å; V758-T792 HydrophobicContact CG1-CG2 4.49Å; V758-F803 HydrophobicContact CG1-CB 4.16Å; V758-F803 HydrophobicContact CG1-CD2 3.88Å; V758-F803 HydrophobicContact CG1-CG 4.3Å; V758-N804 WeakPolarHBondContact O-CA 3.42Å; V758-N804 PolarHBondContact O-N 2.83Å; V758-H805 PolarHBondContact N-O 2.81Å; V758-H805 PolarHBondContact O-N 2.81Å; V758-M807 HydrophobicContact CG2-CE 4.48Å; V758-L824 HydrophobicContact CG2-CD2 4.09Å
759K97.2Very high86.2Confident22 Ų2241.6 Ų41.610%0.09623%0.233CC..EExtended strand (participates in β ladder)trans-85.5-64.1-178.6-56.7-166.6179.8-171.90110.9K733 W757 F803 N804 E879K733-K759 WeakPolarHBondContact O-CB 3.37Å; K733-K759 PolarHBondContact O-N 2.77Å; K733-K759 VanDerWaalsContact O-N 3.07Å; W757-K759 HydrophobicContact CD2-CD 4.49Å; W757-K759 HydrophobicContact CD2-CG 4.08Å; W757-K759 HydrophobicContact CG-CG 4.26Å; W757-K759 HydrophobicContact CH2-CD 4.4Å; W757-K759 HydrophobicContact CZ2-CD 4.16Å; W757-K759 HydrophobicContact CZ2-CG 4.19Å; W757-K759 PolarHBondContact O-N 2.87Å; K759-F803 PolarHBondContact O-N 3.31Å; K759-N804 PolarHBondContact O-N 3.12Å; K759-E879 WeakPolarHBondContact CD-OE1 3.24Å; K759-E879 VanDerWaalsContact CE-OE1 3.3Å; K759-E879 WeakPolarHBondContact CE-OE1 3.45Å; K759-E879 IonicContact NZ-OE1 2.72Å; K759-E879 PolarHBondContact NZ-OE1 2.62Å; K759-E879 IonicContact NZ-OE2 3.84Å; K759-E879 PolarHBondContact NZ-OE2 3.39Å
760E97.1Very high86.8Confident46 Ų4642.2 Ų42.222%0.21524%0.239CC..EExtended strand (participates in β ladder)trans-156.2159.1-172.859.4-161.1150.900111.6K733 P801 V802K733-E760 HydrophobicContact CB-CG 3.96Å; K733-E760 HydrophobicContact CD-CG 4.26Å; K733-E760 WeakPolarHBondContact CD-OE1 3.28Å; K733-E760 WeakPolarHBondContact CE-OE1 3.12Å; K733-E760 PolarHBondContact N-O 2.92Å; K733-E760 IonicContact NZ-OE1 2.7Å; K733-E760 PolarHBondContact NZ-OE1 3.35Å; K733-E760 PolarHBondContact O-N 2.7Å; E760-P801 VanDerWaalsContact CA-O 3.31Å; E760-P801 WeakPolarHBondContact CA-O 3.32Å; E760-V802 HydrophobicContact CB-CB 4.48Å; E760-V802 HydrophobicContact CB-CG2 4.17Å
761C96.7Very high86.8Confident0 Ų043.2 Ų43.20%024%0.238CC..EExtended strand (participates in β ladder)trans-111.4151.4159.5-62.60000109.8E731 L764 N800 P801E731-C761 CarbonylContact O-C 3.59Å; E731-C761 WeakPolarHBondContact O-CA 3.44Å; E731-C761 VanDerWaalsContact O-CB 3.32Å; E731-C761 WeakPolarHBondContact O-CB 3.22Å; C761-L764 HydrophobicContact CB-CD1 3.87Å; C761-L764 HydrophobicContact CB-CD2 3.83Å; C761-L764 HydrophobicContact CB-CG 3.82Å; C761-N800 CarbonylContact O-C 3.54Å; C761-N800 VanDerWaalsContact O-CA 3.25Å; C761-N800 WeakPolarHBondContact O-CA 3.36Å; C761-P801 HydrophobicContact CB-CG 3.95Å; C761-P801 PolarHBondContact N-O 2.78Å; C761-P801 WeakPolarHBondContact O-CD 3.13Å
762L94.3Very high86.9Confident55 Ų5541.2 Ų41.229%0.28823%0.226SC..EExtended strand (participates in β ladder)trans-115.8150.1175.7-55176.9000109.2G730 E731 L764 N800G730-L762 CarbonylContact C-O 3.55Å; G730-L762 WeakPolarHBondContact CA-O 3.2Å; E731-L762 HydrophobicContact CB-CB 4.44Å; E731-L762 PolarHBondContact N-O 3.49Å; E731-L762 PolarHBondContact O-N 2.88Å; L762-L764 VanDerWaalsContact C-N 3.3Å; L762-L764 PolarHBondContact O-N 2.92Å; L762-L764 VanDerWaalsContact O-N 3.09Å; L762-N800 WeakPolarHBondContact CA-OD1 3.48Å
763D91Very high86.8Confident99 Ų9943.7 Ų43.753%0.52924%0.238SC..SBendtrans44.540.6171.7-66.9-24000116.8G730 N800G730-D763 WeakPolarHBondContact CA-O 3.42Å; G730-D763 PolarHBondContact N-O 2.89Å; D763-N800 PolarHBondContact N-OD1 2.91Å
764L91.5Very high86.8Confident3 Ų339.8 Ų39.82%0.01622%0.22CC..  trans-61.7135.2178-66.7179.7000112.4C761 L762 L766 L772 S774 T799 P801 V826 L837 L884C761-L764 HydrophobicContact CB-CD1 3.87Å; C761-L764 HydrophobicContact CB-CD2 3.83Å; C761-L764 HydrophobicContact CB-CG 3.82Å; L762-L764 VanDerWaalsContact C-N 3.3Å; L762-L764 PolarHBondContact O-N 2.92Å; L762-L764 VanDerWaalsContact O-N 3.09Å; L764-L766 PolarHBondContact O-N 2.98Å; L764-L772 HydrophobicContact CB-CD1 3.71Å; L764-S774 WeakPolarHBondContact CD1-OG 3.19Å; L764-T799 VanDerWaalsContact CB-O 3.27Å; L764-T799 WeakPolarHBondContact CB-O 3.16Å; L764-T799 WeakPolarHBondContact CG-O 3.35Å; L764-T799 PolarHBondContact N-O 2.72Å; L764-T799 VanDerWaalsContact N-O 3.07Å; L764-T799 WeakPolarHBondContact O-CG2 3.28Å; L764-P801 HydrophobicContact CD1-CG 3.48Å; L764-P801 VanDerWaalsContact CD1-CG 3.48Å; L764-V826 HydrophobicContact CD1-CG1 3.93Å; L764-V826 HydrophobicContact CD2-CG1 4.12Å; L764-L837 HydrophobicContact CB-CD1 4.23Å; L764-L837 HydrophobicContact CD1-CD1 4.05Å; L764-L837 HydrophobicContact CD2-CD1 4.48Å; L764-L884 HydrophobicContact CD2-CD1 3.36Å
765P82.7Confident86.8Confident29 Ų2940.3 Ų40.319%0.18822%0.223CC..  trans-70.3126.3-17226.7-35.8000111.8R729 L767 L837R729-P765 HydrophobicContact CB-CG 4.43Å; R729-P765 WeakPolarHBondContact O-CD 3.34Å; P765-L767 HydrophobicContact CB-CD2 3.95Å; P765-L767 HydrophobicContact CB-CG 4.19Å; P765-L767 HydrophobicContact CG-CD2 4.4Å; P765-L767 HydrophobicContact CG-CG 4.3Å; P765-L767 PolarHBondContact O-N 3.01Å; P765-L837 HydrophobicContact CG-CB 4.48Å
766L80.6Confident86.8Confident86 Ų8639.2 Ų39.245%0.4522%0.217SC..  trans-76.669.3179.4-172.159.7000111.8L764 R768 G769 L772L764-L766 PolarHBondContact O-N 2.98Å; L766-R768 VanDerWaalsContact C-N 3.27Å; L766-R768 PolarHBondContact O-N 2.97Å; L766-G769 WeakPolarHBondContact CD1-O 3.48Å; L766-G769 WeakPolarHBondContact CD2-O 3.23Å; L766-G769 VanDerWaalsContact CG-O 3.32Å; L766-G769 WeakPolarHBondContact CG-O 3.33Å; L766-L772 HydrophobicContact CD1-CD2 3.92Å; L766-L772 HydrophobicContact CD1-CG 3.84Å
767L68.3Low86.6Confident85 Ų8541.7 Ų41.745%0.44523%0.228SC..  trans-70.6-15.9-173.1-57.9-178.5000114.5P765 Q835 L837P765-L767 HydrophobicContact CB-CD2 3.95Å; P765-L767 HydrophobicContact CB-CG 4.19Å; P765-L767 HydrophobicContact CG-CD2 4.4Å; P765-L767 HydrophobicContact CG-CG 4.3Å; P765-L767 PolarHBondContact O-N 3.01Å; L767-Q835 HydrophobicContact CD1-CG 4.29Å; L767-L837 HydrophobicContact CD1-CD2 3.86Å; L767-L837 HydrophobicContact CG-CD2 4.22Å
768R64.3Low86.5Confident68 Ų6840.8 Ų40.826%0.25723%0.225SC..SBendtrans-160.2113.5-178.3-176.6163.3-73.9166.5-0.3114S574 L766 Y830S574-R768 PolarHBondContact OG-NH2 3.1Å; L766-R768 VanDerWaalsContact C-N 3.27Å; L766-R768 PolarHBondContact O-N 2.97Å; R768-Y830 HydrophobicContact CG-CD2 4.47Å
769G63.7Low86.3Confident57 Ų5741 Ų4159%0.58823%0.226SC*.SBendtrans89.5-166.5175.200000113L766L766-G769 WeakPolarHBondContact CD1-O 3.48Å; L766-G769 WeakPolarHBondContact CD2-O 3.23Å; L766-G769 VanDerWaalsContact CG-O 3.32Å; L766-G769 WeakPolarHBondContact CG-O 3.33Å
770S68.7Low86.1Confident87 Ų8740.7 Ų40.761%0.60823%0.225SC*.SBendtrans-92.8-10.4178.756.90000114
771H73.5Confident85.9Confident100 Ų10038.7 Ų38.746%0.46322%0.216SC..  trans-147.2125.3-168.3-60.8-42000110.4K797H771-K797 HydrophobicContact CB-CB 4.44Å; H771-K797 HydrophobicContact CB-CG 4.37Å
772L85.6Confident85.5Confident2 Ų240.4 Ų40.41%0.0123%0.227CC..  trans-81.7154.1167.4-60.8176.6000111L764 L766 G796 K797 T799 D828 L837L764-L772 HydrophobicContact CB-CD1 3.71Å; L766-L772 HydrophobicContact CD1-CD2 3.92Å; L766-L772 HydrophobicContact CD1-CG 3.84Å; L772-G796 CarbonylContact O-C 3.53Å; L772-K797 PolarHBondContact O-N 2.98Å; L772-T799 HydrophobicContact CD1-CG2 4.43Å; L772-D828 HydrophobicContact CD2-CB 4.05Å; L772-L837 HydrophobicContact CD1-CD1 4.09Å
773N89.4Confident85.2Confident54 Ų5441 Ų4129%0.28923%0.231SC..EExtended strand (participates in β ladder)trans-125.565.4169.3-56.8-85.3000108.7V795 D828 H829N773-V795 CarbonylContact C-O 3.42Å; N773-V795 WeakPolarHBondContact CA-O 3.37Å; N773-D828 PolarHBondContact N-OD1 3.47Å; N773-H829 HydrophobicContact CB-CB 4.22Å; N773-H829 WeakPolarHBondContact O-CB 3.5Å; N773-H829 PolarHBondContact O-N 2.57Å
774S93Very high84.7Confident0 Ų037.5 Ų37.50%021%0.213CC..EExtended strand (participates in β ladder)trans-70.2141-168.3-590000112.7L764 A794 V795 F803 W827L764-S774 WeakPolarHBondContact CD1-OG 3.19Å; S774-A794 CarbonylContact O-C 3.52Å; S774-A794 WeakPolarHBondContact O-CA 3.38Å; S774-V795 PolarHBondContact N-O 2.92Å; S774-V795 PolarHBondContact O-N 3.29Å; S774-F803 WeakPolarHBondContact O-CE1 3.5Å; S774-W827 CarbonylContact C-O 3.44Å; S774-W827 VanDerWaalsContact CA-O 3.26Å; S774-W827 WeakPolarHBondContact CA-O 3.29Å
775F95.2Very high84.1Confident12 Ų1239.3 Ų39.35%0.05323%0.226CC..EExtended strand (participates in β ladder)trans-143.7155.1167.768.3-83.7000110.7K777 A794 W827 H829 N834F775-K777 HydrophobicContact CD2-CG 4.4Å; F775-K777 HydrophobicContact CE2-CD 3.81Å; F775-K777 HydrophobicContact CE2-CG 3.92Å; F775-A794 HydrophobicContact CB-CB 4.14Å; F775-W827 HydrophobicContact CD1-CB 4.08Å; F775-W827 WeakPolarHBondContact CD1-O 3.39Å; F775-W827 HydrophobicContact CE1-CB 3.57Å; F775-W827 HydrophobicContact CE2-CB 4.06Å; F775-W827 HydrophobicContact CE2-CG 4.31Å; F775-W827 HydrophobicContact CZ-CB 3.57Å; F775-W827 HydrophobicContact CZ-CG 4.09Å; F775-W827 PolarHBondContact N-O 3.12Å; F775-W827 PolarHBondContact O-N 2.86Å; F775-H829 HydrophobicContact CD1-CB 4.07Å; F775-H829 HydrophobicContact CE1-CB 3.91Å; F775-N834 WeakPolarHBondContact CE1-OD1 3.37Å; F775-N834 HydrophobicContact CZ-CB 4.38Å
776V96.3Very high84Confident0 Ų045.8 Ų45.80%025%0.246CC..EExtended strand (participates in β ladder)trans-108131.5178.3-172.10000109.5M732 V758 K791 T792 F803 L824 T825 V826M732-V776 HydrophobicContact CE-CG1 4.13Å; M732-V776 HydrophobicContact CE-CG2 4.38Å; V758-V776 HydrophobicContact CG1-CG2 4.11Å; V776-K791 CarbonylContact O-C 3.59Å; V776-K791 WeakPolarHBondContact O-CA 3.32Å; V776-K791 WeakPolarHBondContact O-CB 3.32Å; V776-T792 HydrophobicContact CB-CG2 3.93Å; V776-T792 HydrophobicContact CG2-CG2 4.48Å; V776-T792 PolarHBondContact N-OG1 3.06Å; V776-T792 PolarHBondContact O-N 3.2Å; V776-F803 HydrophobicContact CG2-CD2 4.01Å; V776-F803 HydrophobicContact CG2-CE2 3.58Å; V776-F803 HydrophobicContact CG2-CZ 3.9Å; V776-L824 HydrophobicContact CG1-CB 4.4Å; V776-L824 HydrophobicContact CG1-CD2 3.93Å; V776-T825 CarbonylContact C-O 3.58Å; V776-T825 VanDerWaalsContact CA-O 3.29Å; V776-T825 WeakPolarHBondContact CA-O 3.12Å; V776-V826 HydrophobicContact CG2-CG1 4.47Å; V776-V826 HydrophobicContact CG2-CG2 4.2Å
777K94.6Very high83.9Confident52 Ų5251.2 Ų51.223%0.22627%0.266CS..EExtended strand (participates in β ladder)trans-100137.3164.9-79.3145.7167162.10108F775 Q790 K791 T825 W827F775-K777 HydrophobicContact CD2-CG 4.4Å; F775-K777 HydrophobicContact CE2-CD 3.81Å; F775-K777 HydrophobicContact CE2-CG 3.92Å; K777-Q790 WeakPolarHBondContact CA-O 3.32Å; K777-K791 HydrophobicContact CG-CB 4.18Å; K777-T825 PolarHBondContact N-O 3.36Å; K777-T825 PolarHBondContact O-N 2.87Å; K777-T825 PolarHBondContact O-OG1 3.26Å; K777-W827 HydrophobicContact CD-CD2 4.4Å; K777-W827 HydrophobicContact CD-CG 4.27Å; K777-W827 HydrophobicContact CD-CZ2 4.48Å
778C95.3Very high84.6Confident0 Ų047.9 Ų47.90%025%0.25CS..EExtended strand (participates in β ladder)trans-114.4143.6171.9-173.10000109.6R789 Q790 M807 Y809 E823 L824C778-R789 WeakPolarHBondContact O-CA 3.29Å; C778-Q790 PolarHBondContact N-O 3.37Å; C778-Q790 PolarHBondContact O-N 3.08Å; C778-Q790 VanDerWaalsContact O-N 3.17Å; C778-M807 HydrophobicContact CB-CE 4.21Å; C778-M807 HydrophobicContact CB-SD 3.31Å; C778-M807 WeakPolarHBondContact CB-SD 3.43Å; C778-Y809 WeakPolarHBondContact CB-OH 3.2Å; C778-Y809 PolarHBondContact O-OH 2.81Å; C778-Y809 PolarHBondContact SG-OH 2.86Å; C778-E823 CarbonylContact C-O 3.48Å; C778-E823 WeakPolarHBondContact CA-O 3.04Å; C778-L824 HydrophobicContact CB-CD2 3.73Å
779T93.2Very high85.8Confident4 Ų448.8 Ų48.83%0.02525%0.254CS..EExtended strand (participates in β ladder)trans-140.8135.6169.3-410000108.7L781 R789 E823T779-L781 HydrophobicContact CG2-CD2 4.23Å; T779-R789 HydrophobicContact CG2-CG 3.83Å; T779-E823 PolarHBondContact N-O 3.25Å; T779-E823 PolarHBondContact O-N 2.79Å
780I93.3Very high87.3Confident16 Ų1649 Ų498%0.08224%0.24CC..EExtended strand (participates in β ladder)trans-85.5120.8165.4-53.3-59.4000107.6I756 D783 Y809 F812 A820 V822I756-I780 HydrophobicContact CD1-CD1 3.99Å; I780-D783 CarbonylContact O-C 3.52Å; I780-D783 VanDerWaalsContact O-C 3.29Å; I780-D783 WeakPolarHBondContact O-CA 3.5Å; I780-D783 PolarHBondContact O-N 3.29Å; I780-Y809 HydrophobicContact CD1-CD1 4.29Å; I780-Y809 HydrophobicContact CD1-CD2 4.01Å; I780-Y809 HydrophobicContact CD1-CE1 4.39Å; I780-Y809 HydrophobicContact CD1-CE2 4.14Å; I780-Y809 HydrophobicContact CD1-CG 4.07Å; I780-Y809 HydrophobicContact CG1-CD1 3.4Å; I780-Y809 VanDerWaalsContact CG1-CD1 3.4Å; I780-Y809 HydrophobicContact CG1-CD2 4.03Å; I780-Y809 HydrophobicContact CG1-CE1 3.57Å; I780-Y809 HydrophobicContact CG1-CE2 4.2Å; I780-Y809 HydrophobicContact CG1-CG 3.63Å; I780-F812 HydrophobicContact CB-CZ 4.48Å; I780-F812 HydrophobicContact CD1-CZ 4.05Å; I780-F812 HydrophobicContact CG1-CZ 3.98Å; I780-F812 HydrophobicContact CG2-CE1 3.89Å; I780-F812 HydrophobicContact CG2-CZ 3.75Å; I780-A820 HydrophobicContact CG2-CB 4.31Å; I780-V822 HydrophobicContact CD1-CB 4.41Å; I780-V822 HydrophobicContact CD1-CG1 4.31Å; I780-V822 HydrophobicContact CD1-CG2 3.83Å
781L91.9Very high88.5Confident3 Ų351.5 Ų51.52%0.01624%0.239CC..EExtended strand (participates in β ladder)trans-90.3139.8170.8-57.1-179.4000108.3T779 T784 A820 C821 E823 W856 A890T779-L781 HydrophobicContact CG2-CD2 4.23Å; L781-T784 HydrophobicContact CD2-CG2 4.03Å; L781-A820 VanDerWaalsContact O-CA 3.31Å; L781-A820 WeakPolarHBondContact O-CA 3.22Å; L781-C821 HydrophobicContact CB-CB 4.47Å; L781-C821 PolarHBondContact N-O 2.75Å; L781-C821 PolarHBondContact O-N 2.79Å; L781-E823 HydrophobicContact CD1-CB 3.99Å; L781-E823 HydrophobicContact CG-CB 4.22Å; L781-W856 HydrophobicContact CB-CD2 3.86Å; L781-W856 HydrophobicContact CB-CE3 3.46Å; L781-W856 VanDerWaalsContact CB-CE3 3.46Å; L781-W856 HydrophobicContact CB-CH2 3.88Å; L781-W856 HydrophobicContact CB-CZ2 4.26Å; L781-W856 HydrophobicContact CB-CZ3 3.49Å; L781-W856 VanDerWaalsContact CB-CZ3 3.49Å; L781-W856 HydrophobicContact CD1-CB 3.65Å; L781-W856 HydrophobicContact CD1-CD2 3.68Å; L781-W856 HydrophobicContact CD1-CE3 3.69Å; L781-W856 HydrophobicContact CD1-CG 3.68Å; L781-W856 HydrophobicContact CG-CD2 4.38Å; L781-W856 HydrophobicContact CG-CE3 4.23Å; L781-A890 HydrophobicContact CD1-CB 4.33Å; L781-A890 HydrophobicContact CD2-CB 4.4Å
782P89.8Confident89.6Confident36 Ų3647 Ų4723%0.23422%0.219CC..SBendcis-82.6-0.713.532.5-37.7000117V495 T784 Y850 W856V495-P782 HydrophobicContact CG1-CG 4.16Å; P782-T784 VanDerWaalsContact C-N 3.3Å; P782-T784 PolarHBondContact O-N 3.12Å; P782-Y850 HydrophobicContact CG-CD2 4.17Å; P782-Y850 HydrophobicContact CG-CE2 3.72Å; P782-W856 HydrophobicContact CB-CH2 4Å; P782-W856 HydrophobicContact CB-CZ2 3.82Å
783D86.7Confident90Very high68 Ų6857.4 Ų57.436%0.36426%0.258SS..  trans-76.776.3-177.5-169.724.7000115.1I780 S785 S788I780-D783 CarbonylContact O-C 3.52Å; I780-D783 VanDerWaalsContact O-C 3.29Å; I780-D783 WeakPolarHBondContact O-CA 3.5Å; I780-D783 PolarHBondContact O-N 3.29Å; D783-S785 VanDerWaalsContact CG-CB 3.44Å; D783-S785 PolarHBondContact O-N 3.06Å; D783-S785 WeakPolarHBondContact OD1-CB 3.39Å; D783-S785 PolarHBondContact OD1-N 3.02Å; D783-S785 WeakPolarHBondContact OD2-CB 3.43Å; D783-S788 PolarHBondContact O-OG 3.24Å; D783-S788 WeakPolarHBondContact OD2-CB 3.2Å; D783-S788 PolarHBondContact OD2-OG 2.64Å
784T80.9Confident90.2Very high25 Ų2557.7 Ų57.715%0.15327%0.268CS..  trans-59.13.1167.855.30000116.1R502 L781 P782 R789R502-T784 PolarHBondContact NH2-OG1 2.82Å; L781-T784 HydrophobicContact CD2-CG2 4.03Å; P782-T784 VanDerWaalsContact C-N 3.3Å; P782-T784 PolarHBondContact O-N 3.12Å; T784-R789 PolarHBondContact O-NE 2.92Å; T784-R789 PolarHBondContact O-NH2 2.85Å
785S79.9Confident90.2Very high41 Ų4159.4 Ų59.429%0.28728%0.279SS..  trans-50.9166.7177179.90000113.9D783 K787 S788 R789D783-S785 VanDerWaalsContact CG-CB 3.44Å; D783-S785 PolarHBondContact O-N 3.06Å; D783-S785 WeakPolarHBondContact OD1-CB 3.39Å; D783-S785 PolarHBondContact OD1-N 3.02Å; D783-S785 WeakPolarHBondContact OD2-CB 3.43Å; S785-K787 PolarHBondContact OG-N 2.7Å; S785-S788 PolarHBondContact O-OG 3.34Å; S785-R789 VanDerWaalsContact O-CD 3.25Å; S785-R789 WeakPolarHBondContact O-CD 3.25Å; S785-R789 VanDerWaalsContact O-CG 3.31Å; S785-R789 WeakPolarHBondContact O-CG 3.44Å; S785-R789 PolarHBondContact O-NE 3.4Å
786R79.8Confident89.9Confident165 Ų16560.7 Ų60.762%0.62330%0.295SS*.THydrogen-bonded Turntrans-88.1-12.9169.1-54.6-170.786.1120.8-1.5113
787K77.9Confident89.4Confident200 Ų20068.4 Ų68.487%0.8733%0.329SS*.THydrogen-bonded Turntrans-85.1-35.9-179.6-67.2-169.7174.9-170.80112.2S785S785-K787 PolarHBondContact OG-N 2.7Å
788S83.4Confident89.2Confident16 Ų1668 Ų6811%0.11233%0.331CS..THydrogen-bonded Turntrans-65-45.4174.952.10000112.4D783 S785 Q790 Y809D783-S788 PolarHBondContact O-OG 3.24Å; D783-S788 WeakPolarHBondContact OD2-CB 3.2Å; D783-S788 PolarHBondContact OD2-OG 2.64Å; S785-S788 PolarHBondContact O-OG 3.34Å; S788-Q790 PolarHBondContact O-N 3.47Å; S788-Y809 WeakPolarHBondContact O-CE1 3.47Å
789R90.3Very high89Confident87 Ų8770.6 Ų70.633%0.32835%0.347SS..  trans-56.5107-170.6-66.4170.9-165.1-104.83.1114.3C778 T779 T784 S785C778-R789 WeakPolarHBondContact O-CA 3.29Å; T779-R789 HydrophobicContact CG2-CG 3.83Å; T784-R789 PolarHBondContact O-NE 2.92Å; T784-R789 PolarHBondContact O-NH2 2.85Å; S785-R789 VanDerWaalsContact O-CD 3.25Å; S785-R789 WeakPolarHBondContact O-CD 3.25Å; S785-R789 VanDerWaalsContact O-CG 3.31Å; S785-R789 WeakPolarHBondContact O-CG 3.44Å; S785-R789 PolarHBondContact O-NE 3.4Å
790Q94.3Very high89Confident62 Ų6273.6 Ų73.629%0.2936%0.362SS..EExtended strand (participates in β ladder)trans-95.8164.2171.9-65.6-17958.900111.6K777 C778 S788 M807 V808 Y809K777-Q790 WeakPolarHBondContact CA-O 3.32Å; C778-Q790 PolarHBondContact N-O 3.37Å; C778-Q790 PolarHBondContact O-N 3.08Å; C778-Q790 VanDerWaalsContact O-N 3.17Å; S788-Q790 PolarHBondContact O-N 3.47Å; Q790-M807 HydrophobicContact CB-CB 4.29Å; Q790-M807 HydrophobicContact CB-CG 4.05Å; Q790-M807 HydrophobicContact CB-SD 3.45Å; Q790-M807 WeakPolarHBondContact CB-SD 3.49Å; Q790-V808 PolarHBondContact NE2-O 3.05Å; Q790-Y809 HydrophobicContact CG-CE1 4.43Å
791K94.5Very high89.1Confident138 Ų13872.8 Ų72.860%0.636%0.359SS*.EExtended strand (participates in β ladder)trans-154.514917765.2172.7-173.7171.10113.1V776 K777V776-K791 CarbonylContact O-C 3.59Å; V776-K791 WeakPolarHBondContact O-CA 3.32Å; V776-K791 WeakPolarHBondContact O-CB 3.32Å; K777-K791 HydrophobicContact CG-CB 4.18Å
792T96.3Very high89.4Confident7 Ų776.2 Ų76.24%0.04338%0.379CS..PPolyproline II helixtrans-71.6171.9172.868.80000111.6V758 V776 F803 H805 M807V758-T792 HydrophobicContact CB-CG2 4.46Å; V758-T792 HydrophobicContact CG1-CG2 4.49Å; V776-T792 HydrophobicContact CB-CG2 3.93Å; V776-T792 HydrophobicContact CG2-CG2 4.48Å; V776-T792 PolarHBondContact N-OG1 3.06Å; V776-T792 PolarHBondContact O-N 3.2Å; T792-F803 HydrophobicContact CG2-CB 4.17Å; T792-F803 HydrophobicContact CG2-CD1 4.11Å; T792-F803 HydrophobicContact CG2-CG 4.14Å; T792-F803 VanDerWaalsContact OG1-CD1 3.32Å; T792-F803 WeakPolarHBondContact OG1-CD1 3.37Å; T792-F803 WeakPolarHBondContact OG1-CE1 3.16Å; T792-H805 HydrophobicContact CG2-CB 3.99Å; T792-M807 HydrophobicContact CG2-CE 3.49Å; T792-M807 VanDerWaalsContact CG2-CE 3.49Å
793R94.5Very high89.7Confident219 Ų21975.6 Ų75.683%0.82637%0.373SS*.PPolyproline II helixtrans-71.9148.3161.7-64-176.7177.4-147.80.2109.5
794A93.2Very high90.1Very high61 Ų6176.6 Ų76.650%0.50438%0.378SS..PPolyproline II helixtrans-71.4131.8170.800000110.8S774 F775S774-A794 CarbonylContact O-C 3.52Å; S774-A794 WeakPolarHBondContact O-CA 3.38Å; F775-A794 HydrophobicContact CB-CB 4.14Å
795V93.4Very high90.9Very high36 Ų3678.4 Ų78.422%0.21839%0.385CS..EExtended strand (participates in β ladder)trans-109.8118.8178.4178.50000107.3N773 S774 T798 P801 F803N773-V795 CarbonylContact C-O 3.42Å; N773-V795 WeakPolarHBondContact CA-O 3.37Å; S774-V795 PolarHBondContact N-O 2.92Å; S774-V795 PolarHBondContact O-N 3.29Å; V795-T798 HydrophobicContact CG1-CG2 3.96Å; V795-P801 HydrophobicContact CB-CB 3.77Å; V795-P801 HydrophobicContact CG1-CB 3.73Å; V795-P801 HydrophobicContact CG2-CB 4.47Å; V795-F803 HydrophobicContact CB-CD1 4.48Å; V795-F803 HydrophobicContact CB-CE1 4.07Å; V795-F803 HydrophobicContact CG2-CD1 3.57Å; V795-F803 HydrophobicContact CG2-CE1 3.62Å
796G87.9Confident91.7Very high39 Ų3978 Ų7840%0.40238%0.381SS..EExtended strand (participates in β ladder)trans-97.8152.9-170.300000114.3L772 T798L772-G796 CarbonylContact O-C 3.53Å; G796-T798 PolarHBondContact O-N 3.41Å
797K85.6Confident92.4Very high161 Ų16170.1 Ų70.170%0.735%0.351SS*.SBendtrans66.727168.2-48.6179.6-176.3178.50116.4H771 L772H771-K797 HydrophobicContact CB-CB 4.44Å; H771-K797 HydrophobicContact CB-CG 4.37Å; L772-K797 PolarHBondContact O-N 2.98Å
798T90.6Very high93.3Very high45 Ų4562.8 Ų62.828%0.27632%0.323SS..  trans-143.4145.9177.7-178.60000111.8V795 G796 N800 P801V795-T798 HydrophobicContact CG1-CG2 3.96Å; G796-T798 PolarHBondContact O-N 3.41Å; T798-N800 VanDerWaalsContact C-N 3.31Å; T798-N800 WeakPolarHBondContact CG2-O 3.2Å; T798-N800 VanDerWaalsContact OG1-C 3.29Å; T798-N800 WeakPolarHBondContact OG1-CA 3.26Å; T798-N800 PolarHBondContact OG1-N 3.42Å; T798-N800 PolarHBondContact OG1-O 3.19Å; T798-P801 HydrophobicContact CG2-CB 4.01Å
799T91.2Very high93.8Very high53 Ų5362.6 Ų62.633%0.32532%0.32SS..SBendtrans-79.2-18.7164.248.70000112L764 L772 P801L764-T799 VanDerWaalsContact CB-O 3.27Å; L764-T799 WeakPolarHBondContact CB-O 3.16Å; L764-T799 WeakPolarHBondContact CG-O 3.35Å; L764-T799 PolarHBondContact N-O 2.72Å; L764-T799 VanDerWaalsContact N-O 3.07Å; L764-T799 WeakPolarHBondContact O-CG2 3.28Å; L772-T799 HydrophobicContact CD1-CG2 4.43Å; T799-P801 WeakPolarHBondContact O-CD 3.33Å
800N94Very high93.8Very high67 Ų6764.9 Ų64.936%0.35834%0.338SS..SBendtrans-113.175.7179.9-60.7-23000110C761 L762 D763 T798C761-N800 CarbonylContact O-C 3.54Å; C761-N800 VanDerWaalsContact O-CA 3.25Å; C761-N800 WeakPolarHBondContact O-CA 3.36Å; L762-N800 WeakPolarHBondContact CA-OD1 3.48Å; D763-N800 PolarHBondContact N-OD1 2.91Å; T798-N800 VanDerWaalsContact C-N 3.31Å; T798-N800 WeakPolarHBondContact CG2-O 3.2Å; T798-N800 VanDerWaalsContact OG1-C 3.29Å; T798-N800 WeakPolarHBondContact OG1-CA 3.26Å; T798-N800 PolarHBondContact OG1-N 3.42Å; T798-N800 PolarHBondContact OG1-O 3.19Å
801P95.1Very high93.5Very high0 Ų063.6 Ų63.60%034%0.342CS..  trans-82117.7-178.532-36.2000112.2E760 C761 L764 V795 T798 T799 F803E760-P801 VanDerWaalsContact CA-O 3.31Å; E760-P801 WeakPolarHBondContact CA-O 3.32Å; C761-P801 HydrophobicContact CB-CG 3.95Å; C761-P801 PolarHBondContact N-O 2.78Å; C761-P801 WeakPolarHBondContact O-CD 3.13Å; L764-P801 HydrophobicContact CD1-CG 3.48Å; L764-P801 VanDerWaalsContact CD1-CG 3.48Å; V795-P801 HydrophobicContact CB-CB 3.77Å; V795-P801 HydrophobicContact CG1-CB 3.73Å; V795-P801 HydrophobicContact CG2-CB 4.47Å; T798-P801 HydrophobicContact CG2-CB 4.01Å; T799-P801 WeakPolarHBondContact O-CD 3.33Å; P801-F803 HydrophobicContact CB-CE1 4.28Å; P801-F803 HydrophobicContact CB-CE2 3.92Å; P801-F803 HydrophobicContact CB-CZ 3.73Å; P801-F803 HydrophobicContact CG-CE2 3.67Å; P801-F803 HydrophobicContact CG-CZ 3.74Å
802V97Very high93.2Very high74 Ų7457.6 Ų57.645%0.44832%0.316SS..EExtended strand (participates in β ladder)trans-83.2117.3168-1760000109.4E760 N804E760-V802 HydrophobicContact CB-CB 4.48Å; E760-V802 HydrophobicContact CB-CG2 4.17Å; V802-N804 VanDerWaalsContact CG1-ND2 3.28Å; V802-N804 WeakPolarHBondContact CG1-ND2 3.27Å
803F96.5Very high92.8Very high23 Ų2361.1 Ų61.110%0.10133%0.328CS..EExtended strand (participates in β ladder)trans-97.3-40.5-179.1-67-68.3000113.3V758 K759 S774 V776 T792 V795 P801 H805V758-F803 HydrophobicContact CG1-CB 4.16Å; V758-F803 HydrophobicContact CG1-CD2 3.88Å; V758-F803 HydrophobicContact CG1-CG 4.3Å; K759-F803 PolarHBondContact O-N 3.31Å; S774-F803 WeakPolarHBondContact O-CE1 3.5Å; V776-F803 HydrophobicContact CG2-CD2 4.01Å; V776-F803 HydrophobicContact CG2-CE2 3.58Å; V776-F803 HydrophobicContact CG2-CZ 3.9Å; T792-F803 HydrophobicContact CG2-CB 4.17Å; T792-F803 HydrophobicContact CG2-CD1 4.11Å; T792-F803 HydrophobicContact CG2-CG 4.14Å; T792-F803 VanDerWaalsContact OG1-CD1 3.32Å; T792-F803 WeakPolarHBondContact OG1-CD1 3.37Å; T792-F803 WeakPolarHBondContact OG1-CE1 3.16Å; V795-F803 HydrophobicContact CB-CD1 4.48Å; V795-F803 HydrophobicContact CB-CE1 4.07Å; V795-F803 HydrophobicContact CG2-CD1 3.57Å; V795-F803 HydrophobicContact CG2-CE1 3.62Å; P801-F803 HydrophobicContact CB-CE1 4.28Å; P801-F803 HydrophobicContact CB-CE2 3.92Å; P801-F803 HydrophobicContact CB-CZ 3.73Å; P801-F803 HydrophobicContact CG-CE2 3.67Å; P801-F803 HydrophobicContact CG-CZ 3.74Å; F803-H805 VanDerWaalsContact C-N 3.31Å; F803-H805 HydrophobicContact CB-CB 4.48Å; F803-H805 PolarHBondContact O-N 3.27Å
804N96.1Very high92.4Very high90 Ų9054.3 Ų54.348%0.48131%0.312SS..EExtended strand (participates in β ladder)trans37.957.2-174.1-82-37.9000113.6W757 V758 K759 V802W757-N804 PolarHBondContact NE1-OD1 2.85Å; V758-N804 WeakPolarHBondContact O-CA 3.42Å; V758-N804 PolarHBondContact O-N 2.83Å; K759-N804 PolarHBondContact O-N 3.12Å; V802-N804 VanDerWaalsContact CG1-ND2 3.28Å; V802-N804 WeakPolarHBondContact CG1-ND2 3.27Å
805H96.5Very high92.2Very high63 Ų6356 Ų5629%0.29231%0.31SS..EExtended strand (participates in β ladder)trans-130116.4-170.5-173.872.8000111.7V758 T792 F803V758-H805 PolarHBondContact N-O 2.81Å; V758-H805 PolarHBondContact O-N 2.81Å; T792-H805 HydrophobicContact CG2-CB 3.99Å; F803-H805 VanDerWaalsContact C-N 3.31Å; F803-H805 HydrophobicContact CB-CB 4.48Å; F803-H805 PolarHBondContact O-N 3.27Å
806T96.9Very high92.1Very high32 Ų3254.9 Ų54.920%0.19630%0.303CS..EExtended strand (participates in β ladder)trans-88.6126173.8-45.20000110.6I756 W757 V808 W877I756-T806 CarbonylContact O-C 3.48Å; I756-T806 WeakPolarHBondContact O-CA 3.46Å; W757-T806 HydrophobicContact CB-CG2 4.42Å; T806-V808 HydrophobicContact CG2-CG2 4.22Å; T806-W877 HydrophobicContact CG2-CH2 3.97Å
807M96.1Very high92.3Very high0 Ų053.2 Ų53.20%028%0.284CS..EExtended strand (participates in β ladder)trans-105137.9167.6-56.5-175-157.600107.7I756 V758 C778 Q790 T792 Y809I756-M807 PolarHBondContact N-O 2.67Å; I756-M807 PolarHBondContact O-N 3.36Å; V758-M807 HydrophobicContact CG2-CE 4.48Å; C778-M807 HydrophobicContact CB-CE 4.21Å; C778-M807 HydrophobicContact CB-SD 3.31Å; C778-M807 WeakPolarHBondContact CB-SD 3.43Å; Q790-M807 HydrophobicContact CB-CB 4.29Å; Q790-M807 HydrophobicContact CB-CG 4.05Å; Q790-M807 HydrophobicContact CB-SD 3.45Å; Q790-M807 WeakPolarHBondContact CB-SD 3.49Å; T792-M807 HydrophobicContact CG2-CE 3.49Å; T792-M807 VanDerWaalsContact CG2-CE 3.49Å; M807-Y809 HydrophobicContact CB-CE2 4.07Å
808V95.2Very high92.6Very high45 Ų4550.8 Ų50.827%0.27328%0.277SS..EExtended strand (participates in β ladder)trans-123.4135.1-178.3-175.30000108.5E753 H755 Q790 T806E753-V808 HydrophobicContact CB-CG1 4.23Å; H755-V808 WeakPolarHBondContact ND1-CG2 3.48Å; Q790-V808 PolarHBondContact NE2-O 3.05Å; T806-V808 HydrophobicContact CG2-CG2 4.22Å
809Y93.6Very high92.7Very high13 Ų1351.1 Ų51.15%0.05128%0.275CS..EExtended strand (participates in β ladder)trans-126.5127.6178.4-68.5-97.8000109.5E753 V754 I756 C778 I780 S788 Q790 M807E753-Y809 CarbonylContact C-O 3.6Å; E753-Y809 VanDerWaalsContact CA-O 3.29Å; E753-Y809 WeakPolarHBondContact CA-O 3.09Å; V754-Y809 PolarHBondContact N-O 2.93Å; V754-Y809 PolarHBondContact O-N 2.92Å; I756-Y809 HydrophobicContact CD1-CD2 3.79Å; I756-Y809 HydrophobicContact CD1-CE2 3.75Å; C778-Y809 WeakPolarHBondContact CB-OH 3.2Å; C778-Y809 PolarHBondContact O-OH 2.81Å; C778-Y809 PolarHBondContact SG-OH 2.86Å; I780-Y809 HydrophobicContact CD1-CD1 4.29Å; I780-Y809 HydrophobicContact CD1-CD2 4.01Å; I780-Y809 HydrophobicContact CD1-CE1 4.39Å; I780-Y809 HydrophobicContact CD1-CE2 4.14Å; I780-Y809 HydrophobicContact CD1-CG 4.07Å; I780-Y809 HydrophobicContact CG1-CD1 3.4Å; I780-Y809 VanDerWaalsContact CG1-CD1 3.4Å; I780-Y809 HydrophobicContact CG1-CD2 4.03Å; I780-Y809 HydrophobicContact CG1-CE1 3.57Å; I780-Y809 HydrophobicContact CG1-CE2 4.2Å; I780-Y809 HydrophobicContact CG1-CG 3.63Å; S788-Y809 WeakPolarHBondContact O-CE1 3.47Å; Q790-Y809 HydrophobicContact CG-CE1 4.43Å; M807-Y809 HydrophobicContact CB-CE2 4.07Å
810D91.1Very high92.8Very high134 Ų13448.7 Ų48.772%0.71726%0.26SS*.EExtended strand (participates in β ladder)trans-95.2165.5-179.955.2-28.7000112.1
811G87.8Confident92.8Very high35 Ų3545.5 Ų45.536%0.36124%0.243SC..EExtended strand (participates in β ladder)trans90.613.2167.300000116.6T751 G752T751-G811 WeakPolarHBondContact CG2-O 3.32Å; G752-G811 PolarHBondContact O-N 2.98Å
812F89.6Confident92.8Very high13 Ų1345.5 Ų45.56%0.05724%0.243CC..EExtended strand (participates in β ladder)trans-82.8123.7175.3-66.2-96000111.5Y738 T751 G752 V754 I780 D816 L817 A820Y738-F812 HydrophobicContact CE2-CB 4.44Å; T751-F812 CarbonylContact C-O 3.49Å; T751-F812 WeakPolarHBondContact CA-O 3.17Å; G752-F812 PolarHBondContact N-O 2.78Å; G752-F812 PolarHBondContact O-N 2.84Å; V754-F812 HydrophobicContact CB-CD2 4.04Å; V754-F812 HydrophobicContact CB-CE2 3.61Å; V754-F812 HydrophobicContact CB-CZ 3.96Å; V754-F812 HydrophobicContact CG2-CD1 4.1Å; V754-F812 HydrophobicContact CG2-CD2 3.57Å; V754-F812 HydrophobicContact CG2-CE1 4.08Å; V754-F812 HydrophobicContact CG2-CE2 3.55Å; V754-F812 HydrophobicContact CG2-CG 3.84Å; V754-F812 HydrophobicContact CG2-CZ 3.8Å; I780-F812 HydrophobicContact CB-CZ 4.48Å; I780-F812 HydrophobicContact CD1-CZ 4.05Å; I780-F812 HydrophobicContact CG1-CZ 3.98Å; I780-F812 HydrophobicContact CG2-CE1 3.89Å; I780-F812 HydrophobicContact CG2-CZ 3.75Å; F812-D816 HydrophobicContact CD1-CB 4.49Å; F812-L817 HydrophobicContact CB-CD2 4.15Å; F812-L817 HydrophobicContact CD1-CD2 3.8Å; F812-L817 HydrophobicContact CE1-CD2 4.46Å; F812-L817 HydrophobicContact CG-CD2 4.14Å; F812-A820 HydrophobicContact CE1-CB 4.09Å
813R87.3Confident92.7Very high81 Ų8142.1 Ų42.131%0.30622%0.223SC..  trans-77.8158.4158.4-56.8-177.9176.8-164.9-3110.1T751 E815 D816 L817T751-R813 HydrophobicContact CG2-CG 3.89Å; R813-E815 WeakPolarHBondContact CB-OE1 3.39Å; R813-E815 WeakPolarHBondContact CB-OE2 3.22Å; R813-E815 WeakPolarHBondContact CD-OE2 3.37Å; R813-E815 IonicContact NH1-OE2 3.49Å; R813-E815 PolarHBondContact O-N 2.85Å; R813-D816 VanDerWaalsContact CB-OD2 3.27Å; R813-D816 WeakPolarHBondContact CB-OD2 3.29Å; R813-D816 WeakPolarHBondContact CG-OD2 3.34Å; R813-D816 PolarHBondContact N-OD2 2.92Å; R813-D816 PolarHBondContact O-N 2.81Å; R813-L817 PolarHBondContact O-N 3.17Å
814P85.3Confident92.7Very high75 Ų7541 Ų4149%0.48722%0.218SC..THydrogen-bonded Turntrans-49.5-38.8169.3-27.935.1000113.4L817P814-L817 PolarHBondContact O-N 2.84Å
815E88.6Confident92.6Very high97 Ų9737 Ų3745%0.45320%0.196SC..THydrogen-bonded Turntrans-63.2-42.5175.9-4485-93.900112.6R813 L817 M818R813-E815 WeakPolarHBondContact CB-OE1 3.39Å; R813-E815 WeakPolarHBondContact CB-OE2 3.22Å; R813-E815 WeakPolarHBondContact CD-OE2 3.37Å; R813-E815 IonicContact NH1-OE2 3.49Å; R813-E815 PolarHBondContact O-N 2.85Å; E815-L817 PolarHBondContact O-N 2.83Å; E815-M818 WeakPolarHBondContact O-CB 3.31Å; E815-M818 PolarHBondContact O-N 2.9Å; E815-M818 VanDerWaalsContact O-N 3.11Å
816D91.3Very high92.5Very high13 Ų1334 Ų347%0.0718%0.182CC..Hα-helixtrans-65.2-24.8-176.2-60.4-45.9000111.6F812 R813 M818 E819 A820 Y850F812-D816 HydrophobicContact CD1-CB 4.49Å; R813-D816 VanDerWaalsContact CB-OD2 3.27Å; R813-D816 WeakPolarHBondContact CB-OD2 3.29Å; R813-D816 WeakPolarHBondContact CG-OD2 3.34Å; R813-D816 PolarHBondContact N-OD2 2.92Å; R813-D816 PolarHBondContact O-N 2.81Å; D816-M818 PolarHBondContact O-N 3.06Å; D816-E819 PolarHBondContact O-N 2.8Å; D816-A820 WeakPolarHBondContact O-CB 3.47Å; D816-A820 PolarHBondContact O-N 3.4Å; D816-Y850 PolarHBondContact OD1-OH 3.24Å
817L92.2Very high92.3Very high3 Ų333.5 Ų33.52%0.01618%0.177CC..Hα-helixtrans-65.2-25.6176-63174.9000113.3Y738 V754 F812 R813 P814 E815 F844 W867 M870 V871Y738-L817 HydrophobicContact CD1-CD1 3.75Å; Y738-L817 HydrophobicContact CD2-CD1 4.02Å; Y738-L817 HydrophobicContact CD2-CD2 4.19Å; Y738-L817 HydrophobicContact CE1-CD1 3.62Å; Y738-L817 HydrophobicContact CE2-CD1 3.92Å; Y738-L817 HydrophobicContact CE2-CD2 4.32Å; Y738-L817 HydrophobicContact CG-CD1 3.96Å; V754-L817 HydrophobicContact CG2-CD2 3.71Å; F812-L817 HydrophobicContact CB-CD2 4.15Å; F812-L817 HydrophobicContact CD1-CD2 3.8Å; F812-L817 HydrophobicContact CE1-CD2 4.46Å; F812-L817 HydrophobicContact CG-CD2 4.14Å; R813-L817 PolarHBondContact O-N 3.17Å; P814-L817 PolarHBondContact O-N 2.84Å; E815-L817 PolarHBondContact O-N 2.83Å; L817-F844 WeakPolarHBondContact O-CD2 3.14Å; L817-F844 VanDerWaalsContact O-CE2 3.3Å; L817-F844 WeakPolarHBondContact O-CE2 3.26Å; L817-W867 HydrophobicContact CD2-CZ2 4.24Å; L817-W867 PolarHBondContact O-NE1 3.23Å; L817-M870 HydrophobicContact CD2-CE 4.46Å; L817-V871 HydrophobicContact CB-CG2 4.34Å; L817-V871 HydrophobicContact CD1-CG2 4.35Å
818M91.8Very high92Very high111 Ų11133.6 Ų33.655%0.54718%0.177SC..Hα-helixtrans-75.8-31.1175.7-56.9-167-55.100112.1E815 D816 F844E815-M818 WeakPolarHBondContact O-CB 3.31Å; E815-M818 PolarHBondContact O-N 2.9Å; E815-M818 VanDerWaalsContact O-N 3.11Å; D816-M818 PolarHBondContact O-N 3.06Å; M818-F844 HydrophobicContact CB-CE2 4.49Å; M818-F844 HydrophobicContact CG-CE2 4.39Å
819E92.5Very high91.6Very high51 Ų5135.6 Ų35.624%0.23818%0.184CC..Hα-helixtrans-104.8-7.6-169.2-62.1-79.4-144.600113.2D816 S849 Y850D816-E819 PolarHBondContact O-N 2.8Å; E819-S849 PolarHBondContact O-OG 2.98Å; E819-S849 WeakPolarHBondContact OE2-CA 3.17Å; E819-Y850 HydrophobicContact CB-CD1 4.25Å; E819-Y850 HydrophobicContact CB-CD2 3.89Å; E819-Y850 HydrophobicContact CB-CE1 3.94Å; E819-Y850 HydrophobicContact CB-CE2 3.49Å; E819-Y850 VanDerWaalsContact CB-CE2 3.49Å; E819-Y850 HydrophobicContact CB-CG 4.23Å; E819-Y850 HydrophobicContact CG-CD1 4.28Å; E819-Y850 HydrophobicContact CG-CE1 4.23Å; E819-Y850 HydrophobicContact CG-CE2 4.49Å; E819-Y850 HydrophobicContact CG-CG 4.45Å; E819-Y850 VanDerWaalsContact OE1-CA 3.31Å; E819-Y850 WeakPolarHBondContact OE1-CA 3.4Å; E819-Y850 PolarHBondContact OE1-N 2.84Å; E819-Y850 PolarHBondContact OE2-N 3.06Å
820A93.4Very high90.8Very high2 Ų238.7 Ų38.72%0.01720%0.196CC..  trans-99.6159.2-179.900000113.6I780 L781 F812 D816I780-A820 HydrophobicContact CG2-CB 4.31Å; L781-A820 VanDerWaalsContact O-CA 3.31Å; L781-A820 WeakPolarHBondContact O-CA 3.22Å; F812-A820 HydrophobicContact CE1-CB 4.09Å; D816-A820 WeakPolarHBondContact O-CB 3.47Å; D816-A820 PolarHBondContact O-N 3.4Å
821C94.5Very high90.1Very high0 Ų039.5 Ų39.50%019%0.193CC..EExtended strand (participates in β ladder)trans-145.1138.4177.2179.70000111.4L781 W856 M857L781-C821 HydrophobicContact CB-CB 4.47Å; L781-C821 PolarHBondContact N-O 2.75Å; L781-C821 PolarHBondContact O-N 2.79Å; C821-W856 HydrophobicContact CB-CE3 3.81Å; C821-W856 HydrophobicContact CB-CZ3 3.68Å; C821-M857 HydrophobicContact CB-SD 3.99Å
822V95.7Very high89.5Confident0 Ų045.8 Ų45.80%022%0.218CC..EExtended strand (participates in β ladder)trans-91.3104.7177.5-173.30000110I756 I780 L824 R841 I842 W867I756-V822 HydrophobicContact CD1-CG1 3.58Å; I756-V822 HydrophobicContact CD1-CG2 4.09Å; I756-V822 HydrophobicContact CG1-CG1 4.32Å; I780-V822 HydrophobicContact CD1-CB 4.41Å; I780-V822 HydrophobicContact CD1-CG1 4.31Å; I780-V822 HydrophobicContact CD1-CG2 3.83Å; V822-L824 HydrophobicContact CG1-CG 4.11Å; V822-R841 WeakPolarHBondContact O-CA 3.42Å; V822-I842 HydrophobicContact CB-CB 4.35Å; V822-I842 PolarHBondContact N-O 3.17Å; V822-I842 PolarHBondContact O-N 2.66Å; V822-W867 HydrophobicContact CG2-CE3 4.36Å; V822-W867 HydrophobicContact CG2-CH2 3.78Å; V822-W867 HydrophobicContact CG2-CZ3 3.45Å; V822-W867 VanDerWaalsContact CG2-CZ3 3.45Å
823E95.2Very high88.7Confident4 Ų448.4 Ų48.42%0.01923%0.234CC..EExtended strand (participates in β ladder)trans-86.9108.2172.3-169.1-178.98100110.3C778 T779 L781 T825 R841 L887 A890C778-E823 CarbonylContact C-O 3.48Å; C778-E823 WeakPolarHBondContact CA-O 3.04Å; T779-E823 PolarHBondContact N-O 3.25Å; T779-E823 PolarHBondContact O-N 2.79Å; L781-E823 HydrophobicContact CD1-CB 3.99Å; L781-E823 HydrophobicContact CG-CB 4.22Å; E823-T825 HydrophobicContact CG-CG2 4.1Å; E823-R841 HydrophobicContact CB-CG 4.29Å; E823-R841 HydrophobicContact CG-CG 4.05Å; E823-R841 IonicContact OE2-CZ 3.84Å; E823-R841 IonicContact OE2-NE 2.95Å; E823-R841 PolarHBondContact OE2-NE 2.94Å; E823-R841 IonicContact OE2-NH2 3.2Å; E823-R841 PolarHBondContact OE2-NH2 3.16Å; E823-L887 HydrophobicContact CG-CD1 3.95Å; E823-A890 PolarHBondContact OE2-N 3.15Å
824L96Very high88.5Confident0 Ų045.6 Ų45.60%023%0.226CC..EExtended strand (participates in β ladder)trans-102.2125.5173-73168000109.6M732 L734 I756 V758 V776 C778 V822 G839 L840 I842M732-L824 HydrophobicContact CE-CB 4.12Å; M732-L824 HydrophobicContact SD-CB 4.45Å; M732-L824 HydrophobicContact SD-CD1 4.01Å; L734-L824 HydrophobicContact CD1-CD1 4.37Å; L734-L824 HydrophobicContact CD2-CD1 4.03Å; I756-L824 HydrophobicContact CG2-CD1 4.37Å; I756-L824 HydrophobicContact CG2-CD2 4.32Å; V758-L824 HydrophobicContact CG2-CD2 4.09Å; V776-L824 HydrophobicContact CG1-CB 4.4Å; V776-L824 HydrophobicContact CG1-CD2 3.93Å; C778-L824 HydrophobicContact CB-CD2 3.73Å; V822-L824 HydrophobicContact CG1-CG 4.11Å; L824-G839 CarbonylContact O-C 3.48Å; L824-G839 WeakPolarHBondContact O-CA 3.43Å; L824-L840 HydrophobicContact CB-CB 4.43Å; L824-L840 PolarHBondContact N-O 3.28Å; L824-L840 PolarHBondContact O-N 3.34Å; L824-I842 HydrophobicContact CD1-CD1 3.98Å
825T94.4Very high88.4Confident4 Ų442.9 Ų42.93%0.02521%0.207CC..EExtended strand (participates in β ladder)trans-130.4128.9-178.553.10000111.8V776 K777 E823 W827 F836 L887 I889V776-T825 CarbonylContact C-O 3.58Å; V776-T825 VanDerWaalsContact CA-O 3.29Å; V776-T825 WeakPolarHBondContact CA-O 3.12Å; K777-T825 PolarHBondContact N-O 3.36Å; K777-T825 PolarHBondContact O-N 2.87Å; K777-T825 PolarHBondContact O-OG1 3.26Å; E823-T825 HydrophobicContact CG-CG2 4.1Å; T825-W827 VanDerWaalsContact CB-NE1 3.29Å; T825-W827 PolarHBondContact OG1-NE1 3.2Å; T825-F836 HydrophobicContact CG2-CE2 3.78Å; T825-F836 HydrophobicContact CG2-CZ 4.47Å; T825-L887 HydrophobicContact CG2-CD1 4.06Å; T825-I889 HydrophobicContact CG2-CG1 4.47Å
826V94.4Very high88.3Confident0 Ų039 Ų390%019%0.188CC..EExtended strand (participates in β ladder)trans-96.9133.7-180-164.40000110.3M732 L764 V776 F836 L837 G838 L884M732-V826 HydrophobicContact CE-CG2 3.5Å; L764-V826 HydrophobicContact CD1-CG1 3.93Å; L764-V826 HydrophobicContact CD2-CG1 4.12Å; V776-V826 HydrophobicContact CG2-CG1 4.47Å; V776-V826 HydrophobicContact CG2-CG2 4.2Å; V826-F836 WeakPolarHBondContact O-CD2 3.42Å; V826-L837 HydrophobicContact CB-CB 4.42Å; V826-L837 HydrophobicContact CG1-CD1 4.16Å; V826-L837 PolarHBondContact O-N 2.77Å; V826-G838 WeakPolarHBondContact CB-O 3.41Å; V826-G838 PolarHBondContact N-O 3.02Å; V826-L884 HydrophobicContact CG2-CD1 4Å; V826-L884 HydrophobicContact CG2-CD2 3.75Å
827W92.3Very high88.2Confident23 Ų2338.4 Ų38.49%0.08719%0.185CC..EExtended strand (participates in β ladder)trans-137.8132.8-174.5-59.975.7000111.7S774 F775 K777 T825 N834 Q835 F836 I889S774-W827 CarbonylContact C-O 3.44Å; S774-W827 VanDerWaalsContact CA-O 3.26Å; S774-W827 WeakPolarHBondContact CA-O 3.29Å; F775-W827 HydrophobicContact CD1-CB 4.08Å; F775-W827 WeakPolarHBondContact CD1-O 3.39Å; F775-W827 HydrophobicContact CE1-CB 3.57Å; F775-W827 HydrophobicContact CE2-CB 4.06Å; F775-W827 HydrophobicContact CE2-CG 4.31Å; F775-W827 HydrophobicContact CZ-CB 3.57Å; F775-W827 HydrophobicContact CZ-CG 4.09Å; F775-W827 PolarHBondContact N-O 3.12Å; F775-W827 PolarHBondContact O-N 2.86Å; K777-W827 HydrophobicContact CD-CD2 4.4Å; K777-W827 HydrophobicContact CD-CG 4.27Å; K777-W827 HydrophobicContact CD-CZ2 4.48Å; T825-W827 VanDerWaalsContact CB-NE1 3.29Å; T825-W827 PolarHBondContact OG1-NE1 3.2Å; W827-N834 HydrophobicContact CE3-CB 3.8Å; W827-N834 HydrophobicContact CZ3-CB 4.45Å; W827-Q835 CarbonylContact C-O 3.58Å; W827-Q835 VanDerWaalsContact CA-O 3.3Å; W827-Q835 WeakPolarHBondContact CA-O 3.19Å; W827-F836 HydrophobicContact CD2-CB 4.3Å; W827-F836 HydrophobicContact CD2-CD2 4.35Å; W827-F836 AromaticContact CE2-CD2 4Å; W827-F836 HydrophobicContact CE3-CB 3.99Å; W827-F836 HydrophobicContact CH2-CB 4.2Å; W827-F836 HydrophobicContact CZ2-CB 4.49Å; W827-F836 HydrophobicContact CZ2-CD2 4.2Å; W827-F836 HydrophobicContact CZ3-CB 3.94Å; W827-I889 HydrophobicContact CH2-CD1 3.84Å; W827-I889 HydrophobicContact CZ2-CD1 3.78Å
828D89.6Confident88.1Confident1 Ų138.2 Ų38.21%0.00518%0.184CC..EExtended strand (participates in β ladder)trans-79.6131.6163.8170.746.5000110.9L772 N773 N834 Q835 L837L772-D828 HydrophobicContact CD2-CB 4.05Å; N773-D828 PolarHBondContact N-OD1 3.47Å; D828-N834 CarbonylContact O-C 3.49Å; D828-N834 VanDerWaalsContact O-CA 3.29Å; D828-N834 WeakPolarHBondContact O-CA 3.39Å; D828-Q835 HydrophobicContact CB-CB 4.43Å; D828-Q835 PolarHBondContact N-O 2.85Å; D828-Q835 PolarHBondContact O-N 3.02Å; D828-L837 HydrophobicContact CB-CD1 4.36Å; D828-L837 HydrophobicContact CB-CD2 4.11Å; D828-L837 HydrophobicContact CB-CG 4.42Å
829H86.2Confident88.2Confident88 Ų8833 Ų3341%0.40716%0.158SC..EExtended strand (participates in β ladder)trans-93.988.4175.9-178.4-82.4000112N773 F775 N834N773-H829 HydrophobicContact CB-CB 4.22Å; N773-H829 WeakPolarHBondContact O-CB 3.5Å; N773-H829 PolarHBondContact O-N 2.57Å; F775-H829 HydrophobicContact CD1-CB 4.07Å; F775-H829 HydrophobicContact CE1-CB 3.91Å; H829-N834 PolarHBondContact CD2-OD1 3.42Å
830Y77.4Confident88.3Confident78 Ų7830.6 Ų30.631%0.30615%0.147SC..EExtended strand (participates in β ladder)trans-9795.1177.9-166.6-92.6000113R768 L832 T833R768-Y830 HydrophobicContact CG-CD2 4.47Å; Y830-L832 VanDerWaalsContact C-N 3.31Å; Y830-L832 PolarHBondContact O-N 3Å; Y830-T833 PolarHBondContact N-O 3.31Å; Y830-T833 VanDerWaalsContact N-O 3.17Å; Y830-T833 PolarHBondContact O-N 2.76Å; Y830-T833 VanDerWaalsContact O-O 3.11Å; Y830-T833 PolarHBondContact O-OG1 3.47Å
831K76.5Confident88.4Confident151 Ų15130.5 Ų30.566%0.65715%0.146SC*.THydrogen-bonded Turntrans59.7-71.6173.6-62.3176.2177.7164.60116.2
832L76Confident88.5Confident167 Ų16730.5 Ų30.587%0.87415%0.146SC*.THydrogen-bonded Turntrans-137.76-175-70.8172.1000112Y830Y830-L832 VanDerWaalsContact C-N 3.31Å; Y830-L832 PolarHBondContact O-N 3Å
833T72.3Confident88.5Confident67 Ų6730.5 Ų30.541%0.41115%0.146SC..EExtended strand (participates in β ladder)trans-140.1121.2-178.353.70000109.4Y830Y830-T833 PolarHBondContact N-O 3.31Å; Y830-T833 VanDerWaalsContact N-O 3.17Å; Y830-T833 PolarHBondContact O-N 2.76Å; Y830-T833 VanDerWaalsContact O-O 3.11Å; Y830-T833 PolarHBondContact O-OG1 3.47Å
834N83.5Confident88.5Confident22 Ų2232.8 Ų32.812%0.11816%0.156CC..EExtended strand (participates in β ladder)trans-79.6143.8168.8-61.4-52.4000110.8E570 F775 W827 D828 H829E570-N834 VanDerWaalsContact OE1-CB 3.31Å; E570-N834 WeakPolarHBondContact OE1-CB 3.13Å; E570-N834 PolarHBondContact OE1-N 3.13Å; E570-N834 PolarHBondContact OE1-ND2 3.02Å; E570-N834 PolarHBondContact OE2-ND2 3.49Å; F775-N834 WeakPolarHBondContact CE1-OD1 3.37Å; F775-N834 HydrophobicContact CZ-CB 4.38Å; W827-N834 HydrophobicContact CE3-CB 3.8Å; W827-N834 HydrophobicContact CZ3-CB 4.45Å; D828-N834 CarbonylContact O-C 3.49Å; D828-N834 VanDerWaalsContact O-CA 3.29Å; D828-N834 WeakPolarHBondContact O-CA 3.39Å; H829-N834 PolarHBondContact CD2-OD1 3.42Å
835Q82.8Confident88.3Confident19 Ų1934.1 Ų34.19%0.08917%0.17CC..EExtended strand (participates in β ladder)trans-120117176.4177.2157.5-5.700109.6L767 W827 D828 L837L767-Q835 HydrophobicContact CD1-CG 4.29Å; W827-Q835 CarbonylContact C-O 3.58Å; W827-Q835 VanDerWaalsContact CA-O 3.3Å; W827-Q835 WeakPolarHBondContact CA-O 3.19Å; D828-Q835 HydrophobicContact CB-CB 4.43Å; D828-Q835 PolarHBondContact N-O 2.85Å; D828-Q835 PolarHBondContact O-N 3.02Å; Q835-L837 PolarHBondContact O-N 3.24Å
836F86.9Confident88.2Confident14 Ų1437.8 Ų37.86%0.06119%0.192CC..EExtended strand (participates in β ladder)trans-63132.6174.4-179.8-121.6000110.1T825 V826 W827 G838 M886 L887 I889T825-F836 HydrophobicContact CG2-CE2 3.78Å; T825-F836 HydrophobicContact CG2-CZ 4.47Å; V826-F836 WeakPolarHBondContact O-CD2 3.42Å; W827-F836 HydrophobicContact CD2-CB 4.3Å; W827-F836 HydrophobicContact CD2-CD2 4.35Å; W827-F836 AromaticContact CE2-CD2 4Å; W827-F836 HydrophobicContact CE3-CB 3.99Å; W827-F836 HydrophobicContact CH2-CB 4.2Å; W827-F836 HydrophobicContact CZ2-CB 4.49Å; W827-F836 HydrophobicContact CZ2-CD2 4.2Å; W827-F836 HydrophobicContact CZ3-CB 3.94Å; F836-G838 WeakPolarHBondContact CE2-O 3.45Å; F836-M886 HydrophobicContact CD1-SD 4.03Å; F836-M886 HydrophobicContact CE1-SD 3.8Å; F836-L887 HydrophobicContact CZ-CB 4.11Å; F836-L887 HydrophobicContact CZ-CG 4.48Å; F836-I889 HydrophobicContact CB-CD1 4.3Å; F836-I889 HydrophobicContact CD1-CD1 3.95Å; F836-I889 HydrophobicContact CD2-CD1 3.89Å; F836-I889 HydrophobicContact CE1-CD1 4.16Å; F836-I889 HydrophobicContact CE1-CG1 4.3Å; F836-I889 HydrophobicContact CE2-CD1 4.12Å; F836-I889 HydrophobicContact CE2-CG1 4.27Å; F836-I889 HydrophobicContact CG-CD1 3.8Å; F836-I889 HydrophobicContact CZ-CD1 4.25Å; F836-I889 HydrophobicContact CZ-CG1 4.14Å
837L88.3Confident87.9Confident1 Ų139.1 Ų39.11%0.00521%0.206CC..EExtended strand (participates in β ladder)trans-100.5-58.4177-55.4-177.6000109.5R729 L764 P765 L767 L772 V826 D828 Q835R729-L837 WeakPolarHBondContact CD-O 3.13Å; R729-L837 PolarHBondContact NH1-O 2.84Å; L764-L837 HydrophobicContact CB-CD1 4.23Å; L764-L837 HydrophobicContact CD1-CD1 4.05Å; L764-L837 HydrophobicContact CD2-CD1 4.48Å; P765-L837 HydrophobicContact CG-CB 4.48Å; L767-L837 HydrophobicContact CD1-CD2 3.86Å; L767-L837 HydrophobicContact CG-CD2 4.22Å; L772-L837 HydrophobicContact CD1-CD1 4.09Å; V826-L837 HydrophobicContact CB-CB 4.42Å; V826-L837 HydrophobicContact CG1-CD1 4.16Å; V826-L837 PolarHBondContact O-N 2.77Å; D828-L837 HydrophobicContact CB-CD1 4.36Å; D828-L837 HydrophobicContact CB-CD2 4.11Å; D828-L837 HydrophobicContact CB-CG 4.42Å; Q835-L837 PolarHBondContact O-N 3.24Å
838G90.5Very high87.9Confident0 Ų042.5 Ų42.50%022%0.222CC..EExtended strand (participates in β ladder)trans-172.2179.217700000110.8V826 F836 R885V826-G838 WeakPolarHBondContact CB-O 3.41Å; V826-G838 PolarHBondContact N-O 3.02Å; F836-G838 WeakPolarHBondContact CE2-O 3.45Å; G838-R885 WeakPolarHBondContact CA-O 3.12Å
839G93.5Very high87.9Confident0 Ų042.7 Ų42.70%022%0.223CC..EExtended strand (participates in β ladder)trans-160.4179.4178.600000113.6L824 R885L824-G839 CarbonylContact O-C 3.48Å; L824-G839 WeakPolarHBondContact O-CA 3.43Å; G839-R885 PolarHBondContact N-O 2.97Å; G839-R885 VanDerWaalsContact O-CG 3.25Å; G839-R885 WeakPolarHBondContact O-CG 3.39Å; G839-R885 PolarHBondContact O-N 3.44Å
840L95.4Very high88.2Confident1 Ų140.7 Ų40.71%0.00521%0.212CC..EExtended strand (participates in β ladder)trans-131.9154.5177.2-58.2173.2000109.7M732 L734 L824 I842 E863 L882 P883 L884M732-L840 HydrophobicContact CB-CD1 4.01Å; M732-L840 HydrophobicContact CE-CD1 4.43Å; M732-L840 HydrophobicContact SD-CD1 4.44Å; L734-L840 HydrophobicContact CD2-CD1 3.61Å; L824-L840 HydrophobicContact CB-CB 4.43Å; L824-L840 PolarHBondContact N-O 3.28Å; L824-L840 PolarHBondContact O-N 3.34Å; L840-I842 HydrophobicContact CB-CD1 4.41Å; L840-I842 HydrophobicContact CB-CG1 4.19Å; L840-I842 HydrophobicContact CD1-CD1 4.34Å; L840-E863 WeakPolarHBondContact CA-OE1 3.48Å; L840-E863 WeakPolarHBondContact CB-OE1 3.14Å; L840-L882 HydrophobicContact CD1-CB 3.73Å; L840-L882 HydrophobicContact CD1-CD1 4.01Å; L840-L882 HydrophobicContact CD2-CB 3.79Å; L840-L882 HydrophobicContact CG-CB 4.44Å; L840-P883 VanDerWaalsContact CD2-O 3.23Å; L840-P883 WeakPolarHBondContact CD2-O 3.33Å; L840-L884 HydrophobicContact CG-CD2 4.17Å
841R95.4Very high88.7Confident1 Ų140.3 Ų40.30%0.00423%0.232CC..EExtended strand (participates in β ladder)trans-131.9108.1169.6-76.7173.3174.6170.7-7.5108.7V822 E823 D855 D858 S859 E863 L887 L888V822-R841 WeakPolarHBondContact O-CA 3.42Å; E823-R841 HydrophobicContact CB-CG 4.29Å; E823-R841 HydrophobicContact CG-CG 4.05Å; E823-R841 IonicContact OE2-CZ 3.84Å; E823-R841 IonicContact OE2-NE 2.95Å; E823-R841 PolarHBondContact OE2-NE 2.94Å; E823-R841 IonicContact OE2-NH2 3.2Å; E823-R841 PolarHBondContact OE2-NH2 3.16Å; R841-D855 PolarHBondContact NH1-O 2.83Å; R841-D858 WeakPolarHBondContact CD-OD1 3.5Å; R841-D858 IonicContact CZ-OD1 3.37Å; R841-D858 IonicContact NE-OD1 3.26Å; R841-D858 IonicContact NH1-OD1 3.63Å; R841-D858 PolarHBondContact NH1-OD1 2.89Å; R841-D858 IonicContact NH1-OD2 2.78Å; R841-S859 PolarHBondContact O-OG 3.03Å; R841-S859 VanDerWaalsContact O-OG 3.14Å; R841-E863 PolarHBondContact N-OE1 3.02Å; R841-E863 WeakPolarHBondContact O-CB 3.06Å; R841-L887 HydrophobicContact CG-CD1 3.93Å; R841-L887 HydrophobicContact CG-CD2 4Å; R841-L888 PolarHBondContact NH2-O 3.19Å
842I96.8Very high89.3Confident0 Ų036.7 Ų36.70%022%0.223CC..EExtended strand (participates in β ladder)trans-110.2115.7-169.4-49.8167.3000108.6L734 L736 V822 L824 L840 E863 L866 W867 L882L734-I842 HydrophobicContact CD1-CD1 3.8Å; L734-I842 HydrophobicContact CD2-CD1 4.03Å; L736-I842 HydrophobicContact CD1-CG2 3.82Å; V822-I842 HydrophobicContact CB-CB 4.35Å; V822-I842 PolarHBondContact N-O 3.17Å; V822-I842 PolarHBondContact O-N 2.66Å; L824-I842 HydrophobicContact CD1-CD1 3.98Å; L840-I842 HydrophobicContact CB-CD1 4.41Å; L840-I842 HydrophobicContact CB-CG1 4.19Å; L840-I842 HydrophobicContact CD1-CD1 4.34Å; I842-E863 HydrophobicContact CG1-CG 4.33Å; I842-E863 WeakPolarHBondContact CG2-O 3.32Å; I842-L866 HydrophobicContact CD1-CD2 4.24Å; I842-L866 HydrophobicContact CG2-CD2 4.3Å; I842-L866 HydrophobicContact CG2-CG 4.49Å; I842-W867 HydrophobicContact CG2-CB 4.07Å; I842-W867 HydrophobicContact CG2-CE3 4.02Å; I842-L882 HydrophobicContact CD1-CD1 4.12Å; I842-L882 HydrophobicContact CG1-CD1 4.3Å
843G95.4Very high89.9Confident0 Ų035.6 Ų35.60%021%0.213CC..EExtended strand (participates in β ladder)trans173.6178.1-166.500000109.8G845 S859 W867G843-G845 VanDerWaalsContact C-N 3.26Å; G843-G845 PolarHBondContact O-N 2.82Å; G843-G845 VanDerWaalsContact O-N 3.15Å; G843-S859 PolarHBondContact N-OG 3.14Å; G843-S859 VanDerWaalsContact O-CB 3.26Å; G843-S859 WeakPolarHBondContact O-CB 3.44Å; G843-S859 PolarHBondContact O-OG 3.44Å; G843-W867 VanDerWaalsContact CA-CG 3.49Å
844F94.5Very high90.6Very high52 Ų5234.1 Ų34.123%0.22820%0.204CC..  trans-70.9-4.1-173.9-78.9-82.9000116.6L817 M818 T846 W867 E868 V871L817-F844 WeakPolarHBondContact O-CD2 3.14Å; L817-F844 VanDerWaalsContact O-CE2 3.3Å; L817-F844 WeakPolarHBondContact O-CE2 3.26Å; M818-F844 HydrophobicContact CB-CE2 4.49Å; M818-F844 HydrophobicContact CG-CE2 4.39Å; F844-T846 HydrophobicContact CB-CG2 3.94Å; F844-T846 PolarHBondContact O-N 2.72Å; F844-T846 VanDerWaalsContact O-N 3.08Å; F844-W867 AromaticContact CD2-CD1 3.3Å; F844-W867 AromaticContact CD2-NE1 3.33Å; F844-W867 VanDerWaalsContact CD2-NE1 3.33Å; F844-W867 AromaticContact CE2-CD1 3.39Å; F844-W867 AromaticContact CE2-NE1 3.36Å; F844-W867 AromaticContact CG-CD1 3.87Å; F844-E868 HydrophobicContact CD1-CG 4.09Å; F844-E868 HydrophobicContact CE1-CG 3.74Å; F844-V871 HydrophobicContact CE2-CG2 4.18Å; F844-V871 HydrophobicContact CZ-CB 4.47Å; F844-V871 HydrophobicContact CZ-CG1 4.46Å; F844-V871 HydrophobicContact CZ-CG2 4.15Å
845G91.8Very high90.7Very high27 Ų2738.3 Ų38.328%0.27823%0.226SC..  trans66.114.4170.900000116.1G843 G847 M857G843-G845 VanDerWaalsContact C-N 3.26Å; G843-G845 PolarHBondContact O-N 2.82Å; G843-G845 VanDerWaalsContact O-N 3.15Å; G845-G847 PolarHBondContact O-N 2.83Å; G845-G847 VanDerWaalsContact O-N 3.13Å; G845-M857 CarbonylContact C-O 3.59Å; G845-M857 WeakPolarHBondContact CA-O 3.23Å
846T92.3Very high91Very high81 Ų8138.7 Ų38.750%0.49723%0.227SC..  trans-68.5-6.7-173.261.30000115.4F844 K848 M857F844-T846 HydrophobicContact CB-CG2 3.94Å; F844-T846 PolarHBondContact O-N 2.72Å; F844-T846 VanDerWaalsContact O-N 3.08Å; T846-K848 PolarHBondContact O-N 3.19Å; T846-K848 VanDerWaalsContact O-N 3.14Å; T846-K848 PolarHBondContact OG1-N 2.93Å; T846-K848 PolarHBondContact OG1-O 3.31Å; T846-M857 WeakPolarHBondContact OG1-CG 3.33Å
847G89.3Confident91.1Very high29 Ų2938 Ų3830%0.29922%0.224SC..SBendtrans65.93.3-169.500000115G845 V854 M857G845-G847 PolarHBondContact O-N 2.83Å; G845-G847 VanDerWaalsContact O-N 3.13Å; G847-V854 PolarHBondContact O-N 3.34Å; G847-M857 WeakPolarHBondContact CA-O 3.01Å; G847-M857 PolarHBondContact N-O 3.13Å
848K90.7Very high91.3Very high94 Ų9441 Ų4141%0.40924%0.24SC..EExtended strand (participates in β ladder)trans-134.6152.5-176.7-51.9-161-171.7-151.70111.6T846 T852 E853T846-K848 PolarHBondContact O-N 3.19Å; T846-K848 VanDerWaalsContact O-N 3.14Å; T846-K848 PolarHBondContact OG1-N 2.93Å; T846-K848 PolarHBondContact OG1-O 3.31Å; K848-T852 CarbonylContact C-O 3.41Å; K848-T852 VanDerWaalsContact CA-O 3.23Å; K848-T852 WeakPolarHBondContact CA-O 3.32Å; K848-E853 HydrophobicContact CD-CG 3.87Å; K848-E853 WeakPolarHBondContact CE-OE1 3.42Å; K848-E853 HydrophobicContact CG-CG 3.93Å; K848-E853 IonicContact NZ-OE1 2.75Å; K848-E853 PolarHBondContact NZ-OE1 3.37Å
849S90.9Very high91.4Very high5 Ų541.8 Ų41.84%0.03525%0.246CC..EExtended strand (participates in β ladder)trans-148.2126.4175.3179.50000110.2E819 G851 T852 W856E819-S849 PolarHBondContact O-OG 2.98Å; E819-S849 WeakPolarHBondContact OE2-CA 3.17Å; S849-G851 VanDerWaalsContact C-N 3.28Å; S849-G851 PolarHBondContact O-N 3.04Å; S849-T852 PolarHBondContact N-O 3Å; S849-T852 WeakPolarHBondContact O-CB 3.4Å; S849-T852 PolarHBondContact O-N 3.22Å; S849-W856 WeakPolarHBondContact OG-CH2 3.41Å
850Y91.3Very high91.4Very high45 Ų4544.2 Ų44.218%0.17626%0.26CS..THydrogen-bonded Turntrans47.251.3-172.8-58.1-89.6000111.3V495 L496 P782 D816 E819 T852V495-Y850 HydrophobicContact CG1-CE1 4.19Å; V495-Y850 HydrophobicContact CG1-CE2 3.98Å; L496-Y850 HydrophobicContact CD2-CD1 4.36Å; P782-Y850 HydrophobicContact CG-CD2 4.17Å; P782-Y850 HydrophobicContact CG-CE2 3.72Å; D816-Y850 PolarHBondContact OD1-OH 3.24Å; E819-Y850 HydrophobicContact CB-CD1 4.25Å; E819-Y850 HydrophobicContact CB-CD2 3.89Å; E819-Y850 HydrophobicContact CB-CE1 3.94Å; E819-Y850 HydrophobicContact CB-CE2 3.49Å; E819-Y850 VanDerWaalsContact CB-CE2 3.49Å; E819-Y850 HydrophobicContact CB-CG 4.23Å; E819-Y850 HydrophobicContact CG-CD1 4.28Å; E819-Y850 HydrophobicContact CG-CE1 4.23Å; E819-Y850 HydrophobicContact CG-CE2 4.49Å; E819-Y850 HydrophobicContact CG-CG 4.45Å; E819-Y850 VanDerWaalsContact OE1-CA 3.31Å; E819-Y850 WeakPolarHBondContact OE1-CA 3.4Å; E819-Y850 PolarHBondContact OE1-N 2.84Å; E819-Y850 PolarHBondContact OE2-N 3.06Å; Y850-T852 PolarHBondContact O-N 3.41Å; Y850-T852 VanDerWaalsContact O-N 3.08Å; Y850-T852 PolarHBondContact O-OG1 3.02Å
851G88.5Confident91.3Very high70 Ų7048.9 Ų48.972%0.72229%0.293SS*.THydrogen-bonded Turntrans67.6-1-176.900000116.5S849S849-G851 VanDerWaalsContact C-N 3.28Å; S849-G851 PolarHBondContact O-N 3.04Å
852T88.7Confident91.3Very high76 Ų7653.7 Ų53.747%0.46632%0.316SS..EExtended strand (participates in β ladder)trans-102.1135.6-176.9-53.20000111K848 S849 Y850K848-T852 CarbonylContact C-O 3.41Å; K848-T852 VanDerWaalsContact CA-O 3.23Å; K848-T852 WeakPolarHBondContact CA-O 3.32Å; S849-T852 PolarHBondContact N-O 3Å; S849-T852 WeakPolarHBondContact O-CB 3.4Å; S849-T852 PolarHBondContact O-N 3.22Å; Y850-T852 PolarHBondContact O-N 3.41Å; Y850-T852 VanDerWaalsContact O-N 3.08Å; Y850-T852 PolarHBondContact O-OG1 3.02Å
853E88.6Confident91.3Very high144 Ų14453.8 Ų53.867%0.67332%0.316SS*.EExtended strand (participates in β ladder)trans-69.2133.9174.1-76.8167.5-168.200111.7K848K848-E853 HydrophobicContact CD-CG 3.87Å; K848-E853 WeakPolarHBondContact CE-OE1 3.42Å; K848-E853 HydrophobicContact CG-CG 3.93Å; K848-E853 IonicContact NZ-OE1 2.75Å; K848-E853 PolarHBondContact NZ-OE1 3.37Å
854V87.6Confident91.4Very high35 Ų3554.9 Ų54.921%0.21232%0.323CS..  trans-141.6142.5-170.5-71.50000113.4G847 W856 M857G847-V854 PolarHBondContact O-N 3.34Å; V854-W856 HydrophobicContact CB-CD2 4.24Å; V854-W856 HydrophobicContact CB-CG 4.34Å; V854-W856 HydrophobicContact CB-CZ2 4.22Å; V854-W856 HydrophobicContact CG1-CZ2 3.96Å; V854-W856 HydrophobicContact CG2-CD2 4.19Å; V854-W856 HydrophobicContact CG2-CZ2 4.12Å; V854-W856 PolarHBondContact O-N 2.76Å; V854-M857 HydrophobicContact CG2-CB 3.66Å
855D85.3Confident91.5Very high111 Ų11154.9 Ų54.959%0.59433%0.333SS*.THydrogen-bonded Turntrans-81.99.6-178.668.2-34.7000114.6R841R841-D855 PolarHBondContact NH1-O 2.83Å
856W88.5Confident91.7Very high26 Ų2654 Ų5410%0.09832%0.321CS..THydrogen-bonded Turntrans-129.9-1.5-174.458.5-100.6000115.2L781 P782 C821 S849 V854 D858L781-W856 HydrophobicContact CB-CD2 3.86Å; L781-W856 HydrophobicContact CB-CE3 3.46Å; L781-W856 VanDerWaalsContact CB-CE3 3.46Å; L781-W856 HydrophobicContact CB-CH2 3.88Å; L781-W856 HydrophobicContact CB-CZ2 4.26Å; L781-W856 HydrophobicContact CB-CZ3 3.49Å; L781-W856 VanDerWaalsContact CB-CZ3 3.49Å; L781-W856 HydrophobicContact CD1-CB 3.65Å; L781-W856 HydrophobicContact CD1-CD2 3.68Å; L781-W856 HydrophobicContact CD1-CE3 3.69Å; L781-W856 HydrophobicContact CD1-CG 3.68Å; L781-W856 HydrophobicContact CG-CD2 4.38Å; L781-W856 HydrophobicContact CG-CE3 4.23Å; P782-W856 HydrophobicContact CB-CH2 4Å; P782-W856 HydrophobicContact CB-CZ2 3.82Å; C821-W856 HydrophobicContact CB-CE3 3.81Å; C821-W856 HydrophobicContact CB-CZ3 3.68Å; S849-W856 WeakPolarHBondContact OG-CH2 3.41Å; V854-W856 HydrophobicContact CB-CD2 4.24Å; V854-W856 HydrophobicContact CB-CG 4.34Å; V854-W856 HydrophobicContact CB-CZ2 4.22Å; V854-W856 HydrophobicContact CG1-CZ2 3.96Å; V854-W856 HydrophobicContact CG2-CD2 4.19Å; V854-W856 HydrophobicContact CG2-CZ2 4.12Å; V854-W856 PolarHBondContact O-N 2.76Å; W856-D858 VanDerWaalsContact C-OD1 3.3Å; W856-D858 WeakPolarHBondContact CA-OD1 3.1Å; W856-D858 PolarHBondContact O-N 2.95Å
857M90.7Very high92Very high1 Ų150.1 Ų50.11%0.00530%0.298CS..  trans-93.849.6167.8-166.166.4110.200109.2C821 G845 T846 G847 V854C821-M857 HydrophobicContact CB-SD 3.99Å; G845-M857 CarbonylContact C-O 3.59Å; G845-M857 WeakPolarHBondContact CA-O 3.23Å; T846-M857 WeakPolarHBondContact OG1-CG 3.33Å; G847-M857 WeakPolarHBondContact CA-O 3.01Å; G847-M857 PolarHBondContact N-O 3.13Å; V854-M857 HydrophobicContact CG2-CB 3.66Å
858D91.4Very high92.3Very high63 Ų6352.7 Ų52.734%0.33730%0.302SS..  trans-109.436.4-171.267.5-58.3000112.6R841 W856 R885R841-D858 WeakPolarHBondContact CD-OD1 3.5Å; R841-D858 IonicContact CZ-OD1 3.37Å; R841-D858 IonicContact NE-OD1 3.26Å; R841-D858 IonicContact NH1-OD1 3.63Å; R841-D858 PolarHBondContact NH1-OD1 2.89Å; R841-D858 IonicContact NH1-OD2 2.78Å; W856-D858 VanDerWaalsContact C-OD1 3.3Å; W856-D858 WeakPolarHBondContact CA-OD1 3.1Å; W856-D858 PolarHBondContact O-N 2.95Å; D858-R885 PolarHBondContact O-NH1 2.87Å; D858-R885 PolarHBondContact O-NH2 3.33Å; D858-R885 IonicContact OD2-CZ 3.56Å; D858-R885 IonicContact OD2-NH1 3.71Å; D858-R885 PolarHBondContact OD2-NH1 2.99Å; D858-R885 IonicContact OD2-NH2 3.53Å
859S93.6Very high92.6Very high17 Ų1753.9 Ų53.912%0.11931%0.307CS..  trans-59.9138.6-179.9-49.90000112.8R841 G843 E863R841-S859 PolarHBondContact O-OG 3.03Å; R841-S859 VanDerWaalsContact O-OG 3.14Å; G843-S859 PolarHBondContact N-OG 3.14Å; G843-S859 VanDerWaalsContact O-CB 3.26Å; G843-S859 WeakPolarHBondContact O-CB 3.44Å; G843-S859 PolarHBondContact O-OG 3.44Å; S859-E863 WeakPolarHBondContact CA-OE2 3.18Å
860T92.6Very high92.8Very high50 Ų5053.6 Ų53.631%0.30731%0.305SS..  trans-70.9165.9168.669.20000111.4E862 E863 V864T860-E862 PolarHBondContact O-N 2.8Å; T860-E863 PolarHBondContact N-OE2 3.07Å; T860-E863 PolarHBondContact O-N 2.86Å; T860-E863 VanDerWaalsContact O-N 3.11Å; T860-E863 WeakPolarHBondContact OG1-CG 3.3Å; T860-E863 PolarHBondContact OG1-N 3.47Å; T860-E863 PolarHBondContact OG1-OE2 3.44Å; T860-V864 WeakPolarHBondContact O-CG2 3.36Å; T860-V864 PolarHBondContact O-N 3.11Å
861S94.2Very high92.9Very high100 Ų10053.4 Ų53.470%0.69931%0.308SS*.Hα-helixtrans-54.6-35.117545.10000113.6A865S861-A865 VanDerWaalsContact O-CB 3.24Å; S861-A865 WeakPolarHBondContact O-CB 3.47Å; S861-A865 PolarHBondContact O-N 2.64Å
862E94.8Very high93.2Very high101 Ų10156 Ų5647%0.47231%0.306SS..Hα-helixtrans-74.2-40177-58.9173.7175.700112.1T860 L866 L882 P883T860-E862 PolarHBondContact O-N 2.8Å; E862-L866 PolarHBondContact O-N 3.49Å; E862-L866 VanDerWaalsContact O-N 3.11Å; E862-L882 HydrophobicContact CB-CD2 3.51Å; E862-P883 WeakPolarHBondContact OE2-CD 3.21Å
863E96.7Very high93.4Very high2 Ų254.1 Ų54.11%0.00930%0.296CS..Hα-helixtrans-64.7-41.6173.5-72.2171.414400111.2L840 R841 I842 S859 T860 W867 L882 R885L840-E863 WeakPolarHBondContact CA-OE1 3.48Å; L840-E863 WeakPolarHBondContact CB-OE1 3.14Å; R841-E863 PolarHBondContact N-OE1 3.02Å; R841-E863 WeakPolarHBondContact O-CB 3.06Å; I842-E863 HydrophobicContact CG1-CG 4.33Å; I842-E863 WeakPolarHBondContact CG2-O 3.32Å; S859-E863 WeakPolarHBondContact CA-OE2 3.18Å; T860-E863 PolarHBondContact N-OE2 3.07Å; T860-E863 PolarHBondContact O-N 2.86Å; T860-E863 VanDerWaalsContact O-N 3.11Å; T860-E863 WeakPolarHBondContact OG1-CG 3.3Å; T860-E863 PolarHBondContact OG1-N 3.47Å; T860-E863 PolarHBondContact OG1-OE2 3.44Å; E863-W867 PolarHBondContact O-N 2.9Å; E863-L882 HydrophobicContact CG-CD1 4.11Å; E863-R885 IonicContact OE1-CZ 3.5Å; E863-R885 IonicContact OE1-NE 3.76Å; E863-R885 PolarHBondContact OE1-NE 3.22Å; E863-R885 IonicContact OE1-NH2 2.69Å; E863-R885 IonicContact OE2-CZ 2.75Å; E863-R885 IonicContact OE2-NE 3.36Å; E863-R885 PolarHBondContact OE2-NE 3.44Å; E863-R885 IonicContact OE2-NH2 3.5Å; E863-R885 PolarHBondContact OE2-NH2 3.17Å
864V96.9Very high93.6Very high24 Ų2450 Ų5015%0.14528%0.282CS..Hα-helixtrans-63.7-50.3174.2174.30000110.7T860 L866 W867 E868T860-V864 WeakPolarHBondContact O-CG2 3.36Å; T860-V864 PolarHBondContact O-N 3.11Å; V864-L866 VanDerWaalsContact C-N 3.26Å; V864-L866 PolarHBondContact O-N 3.01Å; V864-W867 WeakPolarHBondContact O-CA 3.15Å; V864-W867 WeakPolarHBondContact O-CB 3.26Å; V864-W867 PolarHBondContact O-N 2.93Å; V864-E868 HydrophobicContact CG1-CG 3.97Å; V864-E868 WeakPolarHBondContact O-CG 3.3Å; V864-E868 PolarHBondContact O-N 3.28Å
865A97Very high93.8Very high52 Ų5253 Ų5343%0.4330%0.296SS..Hα-helixtrans-59.8-34.7-178.500000112.7S861 K869S861-A865 VanDerWaalsContact O-CB 3.24Å; S861-A865 WeakPolarHBondContact O-CB 3.47Å; S861-A865 PolarHBondContact O-N 2.64Å; A865-K869 WeakPolarHBondContact O-CB 3.21Å; A865-K869 PolarHBondContact O-N 2.78Å
866L97.1Very high94.3Very high7 Ų751.3 Ų51.34%0.03729%0.29CS..Hα-helixtrans-66.9-41.5172.5-179.562.8000112.1L734 L736 I842 E862 V864 M870 V878 A880 L882L734-L866 HydrophobicContact CD1-CD2 3.94Å; L734-L866 HydrophobicContact CG-CD2 4.45Å; L736-L866 HydrophobicContact CD1-CD2 4.07Å; L736-L866 HydrophobicContact CD1-CG 4Å; L736-L866 HydrophobicContact CG-CD2 4.27Å; L736-L866 HydrophobicContact CG-CG 4.41Å; I842-L866 HydrophobicContact CD1-CD2 4.24Å; I842-L866 HydrophobicContact CG2-CD2 4.3Å; I842-L866 HydrophobicContact CG2-CG 4.49Å; E862-L866 PolarHBondContact O-N 3.49Å; E862-L866 VanDerWaalsContact O-N 3.11Å; V864-L866 VanDerWaalsContact C-N 3.26Å; V864-L866 PolarHBondContact O-N 3.01Å; L866-M870 PolarHBondContact O-N 2.86Å; L866-M870 VanDerWaalsContact O-N 3.08Å; L866-V878 HydrophobicContact CD1-CB 4.27Å; L866-V878 HydrophobicContact CD1-CG2 3.79Å; L866-A880 HydrophobicContact CD1-CB 3.98Å; L866-A880 HydrophobicContact CD2-CB 4.15Å; L866-A880 HydrophobicContact CG-CB 4.48Å; L866-L882 HydrophobicContact CD2-CD1 3.74Å
867W96.9Very high94.7Very high1 Ų153.9 Ų53.90%0.00430%0.3CS..Hα-helixtrans-67.7-48.7178.8-167.3-109.4000112L736 V754 L817 V822 I842 G843 F844 E863 V864 K869 M870 V871L736-W867 HydrophobicContact CD1-CE3 3.9Å; L736-W867 HydrophobicContact CD1-CZ3 4.22Å; V754-W867 HydrophobicContact CG1-CH2 4.4Å; V754-W867 HydrophobicContact CG1-CZ3 4.42Å; L817-W867 HydrophobicContact CD2-CZ2 4.24Å; L817-W867 PolarHBondContact O-NE1 3.23Å; V822-W867 HydrophobicContact CG2-CE3 4.36Å; V822-W867 HydrophobicContact CG2-CH2 3.78Å; V822-W867 HydrophobicContact CG2-CZ3 3.45Å; V822-W867 VanDerWaalsContact CG2-CZ3 3.45Å; I842-W867 HydrophobicContact CG2-CB 4.07Å; I842-W867 HydrophobicContact CG2-CE3 4.02Å; G843-W867 VanDerWaalsContact CA-CG 3.49Å; F844-W867 AromaticContact CD2-CD1 3.3Å; F844-W867 AromaticContact CD2-NE1 3.33Å; F844-W867 VanDerWaalsContact CD2-NE1 3.33Å; F844-W867 AromaticContact CE2-CD1 3.39Å; F844-W867 AromaticContact CE2-NE1 3.36Å; F844-W867 AromaticContact CG-CD1 3.87Å; E863-W867 PolarHBondContact O-N 2.9Å; V864-W867 WeakPolarHBondContact O-CA 3.15Å; V864-W867 WeakPolarHBondContact O-CB 3.26Å; V864-W867 PolarHBondContact O-N 2.93Å; W867-K869 VanDerWaalsContact C-N 3.31Å; W867-K869 PolarHBondContact O-N 3.08Å; W867-M870 HydrophobicContact CD2-CE 3.94Å; W867-M870 HydrophobicContact CE3-CE 3.6Å; W867-M870 HydrophobicContact CE3-SD 4.22Å; W867-M870 HydrophobicContact CH2-CE 3.65Å; W867-M870 HydrophobicContact CZ2-CE 3.96Å; W867-M870 HydrophobicContact CZ3-CE 3.44Å; W867-M870 VanDerWaalsContact CZ3-CE 3.44Å; W867-M870 HydrophobicContact CZ3-SD 3.98Å; W867-M870 WeakPolarHBondContact O-CB 3.13Å; W867-M870 PolarHBondContact O-N 3.29Å; W867-M870 VanDerWaalsContact O-N 3.09Å; W867-V871 WeakPolarHBondContact O-CG2 3.23Å; W867-V871 PolarHBondContact O-N 3.4Å
868E96.3Very high95Very high83 Ų8354 Ų5439%0.38830%0.301SS..Hα-helixtrans-56.8-45.3174.9-71.1-176.7161.300111.5F844 V864 M870 V871 N872F844-E868 HydrophobicContact CD1-CG 4.09Å; F844-E868 HydrophobicContact CE1-CG 3.74Å; V864-E868 HydrophobicContact CG1-CG 3.97Å; V864-E868 WeakPolarHBondContact O-CG 3.3Å; V864-E868 PolarHBondContact O-N 3.28Å; E868-M870 VanDerWaalsContact C-N 3.29Å; E868-M870 PolarHBondContact O-N 3.06Å; E868-V871 PolarHBondContact O-N 3.38Å; E868-N872 VanDerWaalsContact O-CB 3.27Å; E868-N872 WeakPolarHBondContact O-CB 3.35Å; E868-N872 VanDerWaalsContact O-CG 3.25Å; E868-N872 PolarHBondContact O-N 3.28Å; E868-N872 PolarHBondContact O-ND2 3.09Å; E868-N872 VanDerWaalsContact O-ND2 3.13Å
869K96.3Very high95.3Very high118 Ų11855.2 Ų55.251%0.51330%0.304SS..Hα-helixtrans-62.3-35.7177.4-165-178178.5177.60111.9A865 W867 S873 V878A865-K869 WeakPolarHBondContact O-CB 3.21Å; A865-K869 PolarHBondContact O-N 2.78Å; W867-K869 VanDerWaalsContact C-N 3.31Å; W867-K869 PolarHBondContact O-N 3.08Å; K869-S873 WeakPolarHBondContact O-CB 3.33Å; K869-S873 PolarHBondContact O-N 3.05Å; K869-S873 VanDerWaalsContact O-N 3.1Å; K869-S873 PolarHBondContact O-OG 2.96Å; K869-V878 HydrophobicContact CB-CG1 4.4Å; K869-V878 HydrophobicContact CD-CB 4.23Å; K869-V878 HydrophobicContact CD-CG1 4.2Å; K869-V878 HydrophobicContact CG-CB 4.25Å; K869-V878 HydrophobicContact CG-CG1 3.82Å
870M95.9Very high95.4Very high0 Ų055.7 Ų55.70%031%0.309CS..Hα-helixtrans-66-49.6174-175.7-159.765.900111.4L736 V754 L817 L866 W867 E868 N872 S873 V878L736-M870 HydrophobicContact CB-CB 4.27Å; L736-M870 HydrophobicContact CB-CG 3.95Å; L736-M870 HydrophobicContact CB-SD 3.72Å; L736-M870 HydrophobicContact CD1-SD 4.19Å; V754-M870 HydrophobicContact CG1-SD 4.16Å; L817-M870 HydrophobicContact CD2-CE 4.46Å; L866-M870 PolarHBondContact O-N 2.86Å; L866-M870 VanDerWaalsContact O-N 3.08Å; W867-M870 HydrophobicContact CD2-CE 3.94Å; W867-M870 HydrophobicContact CE3-CE 3.6Å; W867-M870 HydrophobicContact CE3-SD 4.22Å; W867-M870 HydrophobicContact CH2-CE 3.65Å; W867-M870 HydrophobicContact CZ2-CE 3.96Å; W867-M870 HydrophobicContact CZ3-CE 3.44Å; W867-M870 VanDerWaalsContact CZ3-CE 3.44Å; W867-M870 HydrophobicContact CZ3-SD 3.98Å; W867-M870 WeakPolarHBondContact O-CB 3.13Å; W867-M870 PolarHBondContact O-N 3.29Å; W867-M870 VanDerWaalsContact O-N 3.09Å; E868-M870 VanDerWaalsContact C-N 3.29Å; E868-M870 PolarHBondContact O-N 3.06Å; M870-N872 VanDerWaalsContact C-N 3.35Å; M870-N872 PolarHBondContact O-N 2.84Å; M870-S873 CarbonylContact O-C 3.5Å; M870-S873 PolarHBondContact O-N 3.26Å; M870-V878 HydrophobicContact CB-CG2 3.63Å; M870-V878 HydrophobicContact CG-CG2 4.28Å
871V93.7Very high95.7Very high40 Ų4056.2 Ų56.224%0.24231%0.313CS..Hα-helixtrans-63.4-41.7-178.3175.50000111L817 F844 W867 E868 S873L817-V871 HydrophobicContact CB-CG2 4.34Å; L817-V871 HydrophobicContact CD1-CG2 4.35Å; F844-V871 HydrophobicContact CE2-CG2 4.18Å; F844-V871 HydrophobicContact CZ-CB 4.47Å; F844-V871 HydrophobicContact CZ-CG1 4.46Å; F844-V871 HydrophobicContact CZ-CG2 4.15Å; W867-V871 WeakPolarHBondContact O-CG2 3.23Å; W867-V871 PolarHBondContact O-N 3.4Å; E868-V871 PolarHBondContact O-N 3.38Å; V871-S873 VanDerWaalsContact C-N 3.3Å; V871-S873 PolarHBondContact O-N 3.18Å
872N94.1Very high95.8Very high126 Ų12651.7 Ų51.767%0.67428%0.28SS*.Hα-helixtrans-75.7-13.1177.8-67-32.3000113.9E868 M870 P874E868-N872 VanDerWaalsContact O-CB 3.27Å; E868-N872 WeakPolarHBondContact O-CB 3.35Å; E868-N872 VanDerWaalsContact O-CG 3.25Å; E868-N872 PolarHBondContact O-N 3.28Å; E868-N872 PolarHBondContact O-ND2 3.09Å; E868-N872 VanDerWaalsContact O-ND2 3.13Å; M870-N872 VanDerWaalsContact C-N 3.35Å; M870-N872 PolarHBondContact O-N 2.84Å; N872-P874 WeakPolarHBondContact O-CD 3.39Å
873S93.4Very high95.8Very high36 Ų3650 Ų5025%0.25228%0.278SS..SBendtrans-123.160-178.2-43.20000111.9K869 M870 V871 T876K869-S873 WeakPolarHBondContact O-CB 3.33Å; K869-S873 PolarHBondContact O-N 3.05Å; K869-S873 VanDerWaalsContact O-N 3.1Å; K869-S873 PolarHBondContact O-OG 2.96Å; M870-S873 CarbonylContact O-C 3.5Å; M870-S873 PolarHBondContact O-N 3.26Å; V871-S873 VanDerWaalsContact C-N 3.3Å; V871-S873 PolarHBondContact O-N 3.18Å; S873-T876 VanDerWaalsContact O-CB 3.25Å; S873-T876 WeakPolarHBondContact O-CB 3.31Å; S873-T876 PolarHBondContact O-N 2.82Å
874P91.7Very high95.6Very high58 Ų5850.4 Ų50.438%0.37728%0.28SS..THydrogen-bonded Turntrans-56.9148.5-179.625.5-34.8000111.8P740 N872 T876P740-P874 HydrophobicContact CG-CB 3.73Å; N872-P874 WeakPolarHBondContact O-CD 3.39Å; P874-T876 PolarHBondContact O-N 3.12Å; P874-T876 PolarHBondContact O-OG1 3.15Å
875N92.2Very high95.2Very high96 Ų9651.8 Ų51.851%0.51328%0.283SS..THydrogen-bonded Turntrans594.2-171.9-56.6-63.2000115.5Q737 Y738Q737-N875 PolarHBondContact NE2-O 3.38Å; Y738-N875 PolarHBondContact O-N 3.29Å
876T96.1Very high94.5Very high76 Ų7652.8 Ų52.847%0.46628%0.28SS..SBendtrans-105.7138.8179.3-52.40000110.9S873 P874S873-T876 VanDerWaalsContact O-CB 3.25Å; S873-T876 WeakPolarHBondContact O-CB 3.31Å; S873-T876 PolarHBondContact O-N 2.82Å; P874-T876 PolarHBondContact O-N 3.12Å; P874-T876 PolarHBondContact O-OG1 3.15Å
877W97.1Very high93.8Very high80 Ų8052.7 Ų52.730%0.30328%0.279SS..  trans-78.7120.1170.1-76.197000110.2A735 L736 Q737 H755 W757 T806A735-W877 HydrophobicContact CB-CE3 3.69Å; A735-W877 HydrophobicContact CB-CZ3 4.25Å; A735-W877 WeakPolarHBondContact O-CZ3 3.4Å; L736-W877 CarbonylContact O-C 3.49Å; L736-W877 WeakPolarHBondContact O-CA 3.34Å; Q737-W877 HydrophobicContact CB-CD2 3.72Å; Q737-W877 HydrophobicContact CB-CE3 3.73Å; Q737-W877 HydrophobicContact CB-CG 4.21Å; Q737-W877 HydrophobicContact CB-CH2 4.32Å; Q737-W877 HydrophobicContact CB-CZ2 4.29Å; Q737-W877 HydrophobicContact CB-CZ3 4.03Å; Q737-W877 HydrophobicContact CG-CD2 4.5Å; Q737-W877 VanDerWaalsContact OE1-NE1 3.14Å; H755-W877 HydrophobicContact CB-CH2 3.67Å; H755-W877 HydrophobicContact CB-CZ2 4.22Å; H755-W877 HydrophobicContact CB-CZ3 4.26Å; W757-W877 HydrophobicContact CB-CE3 4.41Å; W757-W877 HydrophobicContact CB-CH2 3.81Å; W757-W877 HydrophobicContact CB-CZ3 3.56Å; W757-W877 HydrophobicContact CE3-CE3 4.45Å; T806-W877 HydrophobicContact CG2-CH2 3.97Å
878V97.2Very high92.4Very high5 Ų557.1 Ų57.13%0.0330%0.303CS..EExtended strand (participates in β ladder)trans-106.7126.1173.8-58.90000109A735 L736 L866 K869 M870A735-V878 CarbonylContact C-O 3.49Å; A735-V878 WeakPolarHBondContact CA-O 3.44Å; L736-V878 HydrophobicContact CB-CG2 4.05Å; L736-V878 PolarHBondContact N-O 3.39Å; L736-V878 WeakPolarHBondContact O-CG2 3.41Å; L736-V878 PolarHBondContact O-N 2.89Å; L866-V878 HydrophobicContact CD1-CB 4.27Å; L866-V878 HydrophobicContact CD1-CG2 3.79Å; K869-V878 HydrophobicContact CB-CG1 4.4Å; K869-V878 HydrophobicContact CD-CB 4.23Å; K869-V878 HydrophobicContact CD-CG1 4.2Å; K869-V878 HydrophobicContact CG-CB 4.25Å; K869-V878 HydrophobicContact CG-CG1 3.82Å; M870-V878 HydrophobicContact CB-CG2 3.63Å; M870-V878 HydrophobicContact CG-CG2 4.28Å
879E97Very high90.8Very high88 Ų8855 Ų5541%0.41129%0.294SS..EExtended strand (participates in β ladder)trans-115.1142.8-174.5177.9164.2-166.500111.2K733 L734 A735 K759K733-E879 WeakPolarHBondContact CE-OE1 3.41Å; L734-E879 WeakPolarHBondContact O-CA 3.26Å; A735-E879 HydrophobicContact CB-CB 4.13Å; K759-E879 WeakPolarHBondContact CD-OE1 3.24Å; K759-E879 VanDerWaalsContact CE-OE1 3.3Å; K759-E879 WeakPolarHBondContact CE-OE1 3.45Å; K759-E879 IonicContact NZ-OE1 2.72Å; K759-E879 PolarHBondContact NZ-OE1 2.62Å; K759-E879 IonicContact NZ-OE2 3.84Å; K759-E879 PolarHBondContact NZ-OE2 3.39Å
880A97.1Very high88.6Confident27 Ų2750 Ų5022%0.22327%0.274CS..EExtended strand (participates in β ladder)trans-149.6161.6167.100000111.1K733 L734 L866 L882K733-A880 WeakPolarHBondContact CA-O 3.33Å; L734-A880 PolarHBondContact N-O 3.07Å; L734-A880 PolarHBondContact O-N 2.59Å; L734-A880 VanDerWaalsContact O-N 3.09Å; L734-A880 VanDerWaalsContact O-O 3.12Å; L866-A880 HydrophobicContact CD1-CB 3.98Å; L866-A880 HydrophobicContact CD2-CB 4.15Å; L866-A880 HydrophobicContact CG-CB 4.48Å; A880-L882 HydrophobicContact CB-CD2 4.45Å; A880-L882 HydrophobicContact CB-CG 4.31Å
881T97.3Very high86.1Confident61 Ų6156.4 Ų56.437%0.37430%0.302SS..EExtended strand (participates in β ladder)trans-104.8129.9161.2-56.20000107.1E731 M732 K733E731-T881 HydrophobicContact CB-CG2 3.67Å; E731-T881 HydrophobicContact CG-CG2 4.32Å; E731-T881 WeakPolarHBondContact OE2-CG2 3.09Å; M732-T881 WeakPolarHBondContact O-CA 3.35Å; K733-T881 HydrophobicContact CB-CG2 4.34Å
882L96.3Very high83.4Confident4 Ų459.2 Ų59.22%0.02132%0.315CS..EExtended strand (participates in β ladder)trans-128.3137.7-175.2-66.5173.9000110.9E731 M732 L840 I842 E862 E863 L866 A880E731-L882 CarbonylContact C-O 3.52Å; E731-L882 WeakPolarHBondContact CA-O 3.4Å; M732-L882 PolarHBondContact N-O 3.22Å; M732-L882 PolarHBondContact O-N 3.01Å; L840-L882 HydrophobicContact CD1-CB 3.73Å; L840-L882 HydrophobicContact CD1-CD1 4.01Å; L840-L882 HydrophobicContact CD2-CB 3.79Å; L840-L882 HydrophobicContact CG-CB 4.44Å; I842-L882 HydrophobicContact CD1-CD1 4.12Å; I842-L882 HydrophobicContact CG1-CD1 4.3Å; E862-L882 HydrophobicContact CB-CD2 3.51Å; E863-L882 HydrophobicContact CG-CD1 4.11Å; L866-L882 HydrophobicContact CD2-CD1 3.74Å; A880-L882 HydrophobicContact CB-CD2 4.45Å; A880-L882 HydrophobicContact CB-CG 4.31Å
883P94.6Very high80.2Confident67 Ų6757.9 Ų57.944%0.43532%0.315SS..EExtended strand (participates in β ladder)trans-71.5130.5-17828.7-34.4000111.7L840 E862 R885L840-P883 VanDerWaalsContact CD2-O 3.23Å; L840-P883 WeakPolarHBondContact CD2-O 3.33Å; E862-P883 WeakPolarHBondContact OE2-CD 3.21Å; P883-R885 PolarHBondContact O-N 3.16Å
884L93.5Very high77Confident9 Ų967.5 Ų67.55%0.04735%0.353CS..  trans-72.5128.2-178.8-70.8167.4000111R729 G730 M732 L764 V826 L840R729-L884 HydrophobicContact CB-CB 3.96Å; R729-L884 WeakPolarHBondContact CB-O 3.35Å; R729-L884 WeakPolarHBondContact O-CD1 3.35Å; G730-L884 VanDerWaalsContact O-CB 3.29Å; G730-L884 WeakPolarHBondContact O-CB 3.44Å; G730-L884 PolarHBondContact O-N 3Å; M732-L884 HydrophobicContact CB-CD2 4.06Å; M732-L884 HydrophobicContact CB-CG 4.41Å; M732-L884 HydrophobicContact CE-CD2 3.79Å; L764-L884 HydrophobicContact CD2-CD1 3.36Å; V826-L884 HydrophobicContact CG2-CD1 4Å; V826-L884 HydrophobicContact CG2-CD2 3.75Å; L840-L884 HydrophobicContact CG-CD2 4.17Å
885R89Confident76.3Confident53 Ų5368 Ų6820%0.235%0.352CS..BIsolated β-bridgetrans-113.8160.1-177.854.4-174-170.8108.1-16.1113.2G838 G839 D858 E863 P883 L887G838-R885 WeakPolarHBondContact CA-O 3.12Å; G839-R885 PolarHBondContact N-O 2.97Å; G839-R885 VanDerWaalsContact O-CG 3.25Å; G839-R885 WeakPolarHBondContact O-CG 3.39Å; G839-R885 PolarHBondContact O-N 3.44Å; D858-R885 PolarHBondContact O-NH1 2.87Å; D858-R885 PolarHBondContact O-NH2 3.33Å; D858-R885 IonicContact OD2-CZ 3.56Å; D858-R885 IonicContact OD2-NH1 3.71Å; D858-R885 PolarHBondContact OD2-NH1 2.99Å; D858-R885 IonicContact OD2-NH2 3.53Å; E863-R885 IonicContact OE1-CZ 3.5Å; E863-R885 IonicContact OE1-NE 3.76Å; E863-R885 PolarHBondContact OE1-NE 3.22Å; E863-R885 IonicContact OE1-NH2 2.69Å; E863-R885 IonicContact OE2-CZ 2.75Å; E863-R885 IonicContact OE2-NE 3.36Å; E863-R885 PolarHBondContact OE2-NE 3.44Å; E863-R885 IonicContact OE2-NH2 3.5Å; E863-R885 PolarHBondContact OE2-NH2 3.17Å; P883-R885 PolarHBondContact O-N 3.16Å; R885-L887 HydrophobicContact CG-CD2 3.93Å; R885-L887 PolarHBondContact O-N 2.98Å; R885-L887 VanDerWaalsContact O-N 3.1Å
886M82.5Confident75.5Confident74 Ų7466.5 Ų66.537%0.36534%0.343SS..  trans-7988.6176.8-178.561.4138.400110.1Y579 R729 F836Y579-M886 HydrophobicContact CD2-CE 4.32Å; Y579-M886 HydrophobicContact CG-CE 4.31Å; R729-M886 PolarHBondContact NH1-SD 2.84Å; F836-M886 HydrophobicContact CD1-SD 4.03Å; F836-M886 HydrophobicContact CE1-SD 3.8Å
887L80.9Confident74.3Confident5 Ų566 Ų663%0.02634%0.336CS..  trans-69.6138.3177.5-60.2-177.1000112.3E823 T825 F836 R841 R885 I889E823-L887 HydrophobicContact CG-CD1 3.95Å; T825-L887 HydrophobicContact CG2-CD1 4.06Å; F836-L887 HydrophobicContact CZ-CB 4.11Å; F836-L887 HydrophobicContact CZ-CG 4.48Å; R841-L887 HydrophobicContact CG-CD1 3.93Å; R841-L887 HydrophobicContact CG-CD2 4Å; R885-L887 HydrophobicContact CG-CD2 3.93Å; R885-L887 PolarHBondContact O-N 2.98Å; R885-L887 VanDerWaalsContact O-N 3.1Å; L887-I889 HydrophobicContact CB-CG1 4.46Å; L887-I889 PolarHBondContact O-N 2.86Å
888L67.5Low73Confident94 Ų9465.2 Ų65.249%0.49234%0.338SS..  trans-7273.2155-75.4169.5000108.4R841 A890R841-L888 PolarHBondContact NH2-O 3.19Å; L888-A890 PolarHBondContact O-N 2.91Å
889I64.5Low71.5Confident39 Ų3968.9 Ų68.920%0.236%0.358CS..  trans-41.7123.2-177.2-58161.7000109.7T825 W827 F836 L887 K891T825-I889 HydrophobicContact CG2-CG1 4.47Å; W827-I889 HydrophobicContact CH2-CD1 3.84Å; W827-I889 HydrophobicContact CZ2-CD1 3.78Å; F836-I889 HydrophobicContact CB-CD1 4.3Å; F836-I889 HydrophobicContact CD1-CD1 3.95Å; F836-I889 HydrophobicContact CD2-CD1 3.89Å; F836-I889 HydrophobicContact CE1-CD1 4.16Å; F836-I889 HydrophobicContact CE1-CG1 4.3Å; F836-I889 HydrophobicContact CE2-CD1 4.12Å; F836-I889 HydrophobicContact CE2-CG1 4.27Å; F836-I889 HydrophobicContact CG-CD1 3.8Å; F836-I889 HydrophobicContact CZ-CD1 4.25Å; F836-I889 HydrophobicContact CZ-CG1 4.14Å; L887-I889 HydrophobicContact CB-CG1 4.46Å; L887-I889 PolarHBondContact O-N 2.86Å; I889-K891 PolarHBondContact O-N 3.17Å
890A48.9Very low69.8Low13 Ų1367.7 Ų67.711%0.10735%0.354CS..  trans-58.296.2-172.700000110.7L781 E823 L888 L892L781-A890 HydrophobicContact CD1-CB 4.33Å; L781-A890 HydrophobicContact CD2-CB 4.4Å; E823-A890 PolarHBondContact OE2-N 3.15Å; L888-A890 PolarHBondContact O-N 2.91Å; A890-L892 PolarHBondContact O-N 3.03Å
891K44.6Very low67.8Low134 Ų13470.6 Ų70.658%0.58336%0.363SS*.  trans-65.1139.9-175-91.2175.9179.2163.10109I889 S893I889-K891 PolarHBondContact O-N 3.17Å; K891-S893 VanDerWaalsContact C-N 3.27Å; K891-S893 PolarHBondContact O-N 2.99Å
892L35.9Very low65.5Low99 Ų9971.3 Ų71.352%0.51836%0.362SS..  trans-6288.6171.3-75.8151.3000109.8A890 K894A890-L892 PolarHBondContact O-N 3.03Å; L892-K894 PolarHBondContact O-N 3.14Å
893S27.2Very low63Low97 Ų9776.9 Ų76.968%0.67839%0.391SS*.  trans-62.611915650.80000107.1K891K891-S893 VanDerWaalsContact C-N 3.27Å; K891-S893 PolarHBondContact O-N 2.99Å
894K26.5Very low60.1Low239 Ų23977.8 Ų77.8100%1.03939%0.387SS*.  trans-148.70-160.6-165.4-170.1-179.5-1660110.9L892L892-K894 PolarHBondContact O-N 3.14Å

Retrieved 894 of 894 residues in 2022.1 ms (Link to these results)

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