A0A087Y0N2_POEFO Loading...

GPI inositol-deacylase

GPI inositol-deacylase that catalyzes the remove of the acyl chain linked to the 2-OH position of inositol ring from the GPI-anchored protein (GPI-AP) in the endoplasmic reticulum. Initiates the post-attachment remodeling phase of GPI-AP biogenesis and participates in endoplasmic reticulum (ER)-to-Golgi transport of GPI-anchored protein.

AlphaFold DB , UniProt , Accession A0A087Y0N2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 940 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
1M53.7Low81.4Confident213 Ų21377.5 Ų77.5100%1.04948%0.484SS*.  0-50.50-64-160.8-69.800113.5A3 A4 A5M1-A3 PolarHBondContact O-N 3.07Å; M1-A4 PolarHBondContact O-N 3.38Å; M1-A5 PolarHBondContact O-N 2.88Å; M1-A5 VanDerWaalsContact O-N 3.13Å
2R66.5Low82.4Confident158 Ų15871.5 Ų71.560%0.59645%0.447SS*.Hα-helixtrans-56.4-43.4-179.8-66.5-176.8-176.9176.9-1.6115.1A5 A6 E636R2-A5 PolarHBondContact O-N 3.33Å; R2-A6 WeakPolarHBondContact O-CB 3.36Å; R2-A6 PolarHBondContact O-N 3.28Å; R2-E636 IonicContact CZ-OE1 3.56Å; R2-E636 IonicContact NE-OE1 3.15Å; R2-E636 PolarHBondContact NE-OE1 2.83Å; R2-E636 IonicContact NH2-OE1 3.82Å; R2-E636 PolarHBondContact NH2-OE1 3.41Å; R2-E636 IonicContact NH2-OE2 3.2Å
3A76.6Confident83.3Confident81 Ų8169.8 Ų69.867%0.66943%0.433SS*.Hα-helixtrans-65.8-38.8179.400000113.1M1 A6 A7M1-A3 PolarHBondContact O-N 3.07Å; A3-A6 PolarHBondContact O-N 3.45Å; A3-A7 WeakPolarHBondContact O-CB 3.46Å; A3-A7 PolarHBondContact O-N 3.12Å
4A80.8Confident84.2Confident71 Ų7167.1 Ų67.159%0.58743%0.426SS*.Hα-helixtrans-68.1-42177.700000111.9M1 A7 F8M1-A4 PolarHBondContact O-N 3.38Å; A4-A7 PolarHBondContact O-N 3.07Å; A4-F8 WeakPolarHBondContact O-CB 3.41Å; A4-F8 PolarHBondContact O-N 3.41Å
5A79.6Confident84.8Confident34 Ų3467 Ų6728%0.28142%0.42SS..Hα-helixtrans-63.1-44.8174.300000111.6M1 R2 A7 F8 Y9M1-A5 PolarHBondContact O-N 2.88Å; M1-A5 VanDerWaalsContact O-N 3.13Å; R2-A5 PolarHBondContact O-N 3.33Å; A5-A7 VanDerWaalsContact C-N 3.34Å; A5-A7 PolarHBondContact O-N 3.16Å; A5-F8 PolarHBondContact O-N 2.89Å; A5-Y9 WeakPolarHBondContact O-CD2 3.07Å; A5-Y9 PolarHBondContact O-N 2.94Å
6A83.7Confident85.4Confident42 Ų4264.5 Ų64.535%0.34740%0.403SS..Hα-helixtrans-61.7-40.7175.800000112.3R2 A3 G10R2-A6 WeakPolarHBondContact O-CB 3.36Å; R2-A6 PolarHBondContact O-N 3.28Å; A3-A6 PolarHBondContact O-N 3.45Å; A6-G10 WeakPolarHBondContact O-CA 3.5Å; A6-G10 PolarHBondContact O-N 2.96Å
7A88.1Confident86Confident64 Ų6466.4 Ų66.453%0.52941%0.409SS..Hα-helixtrans-64.4-43.2175.100000112.1A3 A4 A5 G10 A11A3-A7 WeakPolarHBondContact O-CB 3.46Å; A3-A7 PolarHBondContact O-N 3.12Å; A4-A7 PolarHBondContact O-N 3.07Å; A5-A7 VanDerWaalsContact C-N 3.34Å; A5-A7 PolarHBondContact O-N 3.16Å; A7-G10 PolarHBondContact O-N 3.32Å; A7-A11 PolarHBondContact O-N 3.45Å
8F90.4Very high86.5Confident90 Ų9066 Ų6640%0.39541%0.406SS..Hα-helixtrans-61.6-52.9176.8176.1-94.9000112.2A4 A5 G10 A11 A12 L642 V706A4-F8 WeakPolarHBondContact O-CB 3.41Å; A4-F8 PolarHBondContact O-N 3.41Å; A5-F8 PolarHBondContact O-N 2.89Å; F8-G10 PolarHBondContact O-N 2.95Å; F8-A11 PolarHBondContact O-N 2.86Å; F8-A12 PolarHBondContact O-N 3.32Å; F8-L642 HydrophobicContact CD1-CD2 4.37Å; F8-L642 HydrophobicContact CE1-CD2 3.51Å; F8-L642 HydrophobicContact CZ-CD2 3.81Å; F8-V706 HydrophobicContact CE1-CG1 4.03Å; F8-V706 HydrophobicContact CZ-CG1 3.84Å; F8-V706 HydrophobicContact CZ-CG2 4.36Å
9Y90.4Very high86.8Confident3 Ų362.5 Ų62.51%0.01239%0.385CS..Hα-helixtrans-68.1-24.3177.3-70.9-63.3000112.6A5 L13 G639 L642 A709 T710 F713 W714A5-Y9 WeakPolarHBondContact O-CD2 3.07Å; A5-Y9 PolarHBondContact O-N 2.94Å; Y9-L13 VanDerWaalsContact O-CB 3.25Å; Y9-L13 WeakPolarHBondContact O-CB 3.04Å; Y9-L13 PolarHBondContact O-N 2.86Å; Y9-G639 PolarHBondContact OH-O 3.02Å; Y9-L642 WeakPolarHBondContact OH-CB 3.46Å; Y9-A709 HydrophobicContact CE1-CB 4.11Å; Y9-T710 HydrophobicContact CD1-CG2 4.43Å; Y9-T710 WeakPolarHBondContact CD1-OG1 3.22Å; Y9-T710 WeakPolarHBondContact O-CG2 3.48Å; Y9-F713 HydrophobicContact CD1-CB 4.31Å; Y9-F713 HydrophobicContact CD2-CB 4.34Å; Y9-F713 HydrophobicContact CD2-CD1 4.07Å; Y9-F713 AromaticContact CD2-CD2 3.89Å; Y9-F713 HydrophobicContact CD2-CD2 3.89Å; Y9-F713 HydrophobicContact CD2-CE1 4.36Å; Y9-F713 HydrophobicContact CD2-CE2 4.19Å; Y9-F713 AromaticContact CD2-CG 3.83Å; Y9-F713 HydrophobicContact CD2-CG 3.83Å; Y9-F713 HydrophobicContact CD2-CZ 4.41Å; Y9-F713 HydrophobicContact CE2-CD2 4.07Å; Y9-F713 HydrophobicContact CE2-CG 4.3Å; Y9-F713 HydrophobicContact CG-CB 4.21Å; Y9-F713 HydrophobicContact CG-CD1 4.04Å; Y9-F713 HydrophobicContact CG-CG 4Å; Y9-W714 PolarHBondContact O-NE1 3.43Å; Y9-W714 VanDerWaalsContact O-NE1 3.08Å
10G92.1Very high87.1Confident30 Ų3063.1 Ų63.131%0.30939%0.385SS..Hα-helixtrans-67.1-46.7169.800000112.2A6 A7 F8 L13 G14A6-G10 WeakPolarHBondContact O-CA 3.5Å; A6-G10 PolarHBondContact O-N 2.96Å; A7-G10 PolarHBondContact O-N 3.32Å; F8-G10 PolarHBondContact O-N 2.95Å; G10-L13 PolarHBondContact O-N 3.15Å; G10-G14 PolarHBondContact O-N 3.01Å
11A93.3Very high87.5Confident66 Ų6668.4 Ų68.455%0.54540%0.398SS..Hα-helixtrans-63.6-43.8175.600000111.9A7 F8 L13 G14 L15A7-A11 PolarHBondContact O-N 3.45Å; F8-A11 PolarHBondContact O-N 2.86Å; A11-L13 VanDerWaalsContact C-N 3.33Å; A11-L13 PolarHBondContact O-N 2.95Å; A11-G14 WeakPolarHBondContact O-CA 3.07Å; A11-G14 PolarHBondContact O-N 2.83Å; A11-G14 VanDerWaalsContact O-N 3.15Å; A11-L15 PolarHBondContact O-N 3.34Å
12A93.5Very high89.3Confident6 Ų660.3 Ų60.35%0.0536%0.358CS..Hα-helixtrans-63.9-3617600000112.6F8 G14 L15 L16 V706 T710F8-A12 PolarHBondContact O-N 3.32Å; A12-G14 VanDerWaalsContact C-N 3.35Å; A12-L15 WeakPolarHBondContact O-CB 3.33Å; A12-L15 PolarHBondContact O-N 3.14Å; A12-L16 PolarHBondContact O-N 3.12Å; A12-V706 HydrophobicContact CB-CG1 3.94Å; A12-T710 HydrophobicContact CB-CG2 4.11Å; A12-T710 WeakPolarHBondContact CB-OG1 3.48Å
13L94.6Very high90.4Very high49 Ų4954.1 Ų54.126%0.25734%0.336SS..Hα-helixtrans-65-41.2172.6179.864.6000110.7Y9 G10 A11 L15 L16 L17 T710 W714Y9-L13 VanDerWaalsContact O-CB 3.25Å; Y9-L13 WeakPolarHBondContact O-CB 3.04Å; Y9-L13 PolarHBondContact O-N 2.86Å; G10-L13 PolarHBondContact O-N 3.15Å; A11-L13 VanDerWaalsContact C-N 3.33Å; A11-L13 PolarHBondContact O-N 2.95Å; L13-L15 VanDerWaalsContact C-N 3.32Å; L13-L15 PolarHBondContact O-N 3.34Å; L13-L16 HydrophobicContact CD1-CD2 4.49Å; L13-L16 WeakPolarHBondContact O-CB 3.39Å; L13-L16 PolarHBondContact O-N 3.42Å; L13-L17 HydrophobicContact CD1-CD1 4.5Å; L13-L17 HydrophobicContact CD1-CG 4.31Å; L13-L17 HydrophobicContact CG-CD1 4.09Å; L13-L17 HydrophobicContact CG-CG 4.35Å; L13-L17 WeakPolarHBondContact O-CB 3.49Å; L13-L17 VanDerWaalsContact O-CG 3.27Å; L13-L17 WeakPolarHBondContact O-CG 3.45Å; L13-L17 PolarHBondContact O-N 3.13Å; L13-T710 HydrophobicContact CB-CG2 3.86Å; L13-W714 HydrophobicContact CD2-CD2 4.08Å; L13-W714 HydrophobicContact CD2-CG 4.15Å; L13-W714 HydrophobicContact CD2-CZ2 4.32Å
14G95.3Very high90.9Very high33 Ų3354 Ų5434%0.3432%0.324SS..Hα-helixtrans-55.8-45.3172.800000112.4G10 A11 A12 L17 V18G10-G14 PolarHBondContact O-N 3.01Å; A11-G14 WeakPolarHBondContact O-CA 3.07Å; A11-G14 PolarHBondContact O-N 2.83Å; A11-G14 VanDerWaalsContact O-N 3.15Å; A12-G14 VanDerWaalsContact C-N 3.35Å; G14-L17 PolarHBondContact O-N 2.92Å; G14-V18 WeakPolarHBondContact O-CG2 3.46Å; G14-V18 PolarHBondContact O-N 3.3Å
15L93.9Very high91Very high65 Ų6554.9 Ų54.934%0.3432%0.322SS..Hα-helixtrans-60.2-50.9173.2-67.4176000111.2A11 A12 L13 L17 V18 G19 F591 L595A11-L15 PolarHBondContact O-N 3.34Å; A12-L15 WeakPolarHBondContact O-CB 3.33Å; A12-L15 PolarHBondContact O-N 3.14Å; L13-L15 VanDerWaalsContact C-N 3.32Å; L13-L15 PolarHBondContact O-N 3.34Å; L15-L17 VanDerWaalsContact C-N 3.26Å; L15-L17 PolarHBondContact O-N 2.85Å; L15-V18 PolarHBondContact O-N 3.29Å; L15-V18 VanDerWaalsContact O-N 3.12Å; L15-G19 PolarHBondContact O-N 3.44Å; L15-F591 HydrophobicContact CD2-CE1 3.91Å; L15-F591 HydrophobicContact CD2-CZ 4.3Å; L15-L595 HydrophobicContact CB-CD2 4.05Å; L15-L595 HydrophobicContact CD2-CD2 4.39Å; L15-L595 WeakPolarHBondContact O-CD2 3.43Å
16L94.2Very high90.9Very high27 Ų2754.3 Ų54.314%0.14132%0.32CS..Hα-helixtrans-54.4-44178.4-174.459.5000111.9A12 L13 G19 L20 L599 L707 V711A12-L16 PolarHBondContact O-N 3.12Å; L13-L16 HydrophobicContact CD1-CD2 4.49Å; L13-L16 WeakPolarHBondContact O-CB 3.39Å; L13-L16 PolarHBondContact O-N 3.42Å; L16-G19 PolarHBondContact O-N 2.87Å; L16-L20 VanDerWaalsContact O-CB 3.31Å; L16-L20 WeakPolarHBondContact O-CB 3.4Å; L16-L20 PolarHBondContact O-N 3.09Å; L16-L599 HydrophobicContact CD1-CD1 4.04Å; L16-L599 HydrophobicContact CD1-CD2 4.04Å; L16-L707 HydrophobicContact CB-CD2 3.92Å; L16-L707 HydrophobicContact CD1-CD1 4.46Å; L16-L707 HydrophobicContact CD1-CD2 4.27Å; L16-V711 HydrophobicContact CD2-CG2 3.64Å
17L95.1Very high90.5Very high97 Ų9754.8 Ų54.851%0.50831%0.314SS..Hα-helixtrans-66.9-39.2179-69.7174.2000112.4L13 G14 L15 L20 R21L13-L17 HydrophobicContact CD1-CD1 4.5Å; L13-L17 HydrophobicContact CD1-CG 4.31Å; L13-L17 HydrophobicContact CG-CD1 4.09Å; L13-L17 HydrophobicContact CG-CG 4.35Å; L13-L17 WeakPolarHBondContact O-CB 3.49Å; L13-L17 VanDerWaalsContact O-CG 3.27Å; L13-L17 WeakPolarHBondContact O-CG 3.45Å; L13-L17 PolarHBondContact O-N 3.13Å; G14-L17 PolarHBondContact O-N 2.92Å; L15-L17 VanDerWaalsContact C-N 3.26Å; L15-L17 PolarHBondContact O-N 2.85Å; L17-L20 PolarHBondContact O-N 2.84Å; L17-R21 VanDerWaalsContact O-CB 3.27Å; L17-R21 WeakPolarHBondContact O-CB 3.44Å; L17-R21 PolarHBondContact O-N 2.02Å
18V95Very high90Very high59 Ų5956 Ų5636%0.35831%0.309SS..Hα-helixtrans-62.3-46.8173.3169.50000110.5G14 L15 L20 R21 E22 P592 L595G14-V18 WeakPolarHBondContact O-CG2 3.46Å; G14-V18 PolarHBondContact O-N 3.3Å; L15-V18 PolarHBondContact O-N 3.29Å; L15-V18 VanDerWaalsContact O-N 3.12Å; V18-L20 PolarHBondContact O-N 2.92Å; V18-R21 PolarHBondContact O-N 2.71Å; V18-E22 WeakPolarHBondContact O-CG 3.42Å; V18-E22 PolarHBondContact O-N 3.23Å; V18-P592 HydrophobicContact CG1-CB 3.86Å; V18-P592 HydrophobicContact CG1-CG 4.39Å; V18-L595 HydrophobicContact CB-CD2 4.47Å
19G93.3Very high89.6Confident0 Ų059.6 Ų59.60%033%0.327CS..Hα-helixtrans-60.4-44.5175.900000112.4L15 L16 E22 L23 L599L15-G19 PolarHBondContact O-N 3.44Å; L16-G19 PolarHBondContact O-N 2.87Å; G19-E22 PolarHBondContact O-N 3.29Å; G19-L23 WeakPolarHBondContact O-CB 2.93Å; G19-L23 PolarHBondContact O-N 2.68Å; G19-L599 VanDerWaalsContact C-CD1 3.44Å
20L92.6Very high89.3Confident74 Ų7462.3 Ų62.339%0.38734%0.342SS..Hα-helixtrans-65.8-40.2179.7-172.265.5000111.3L16 L17 V18 L23 L24L16-L20 VanDerWaalsContact O-CB 3.31Å; L16-L20 WeakPolarHBondContact O-CB 3.4Å; L16-L20 PolarHBondContact O-N 3.09Å; L17-L20 PolarHBondContact O-N 2.84Å; V18-L20 PolarHBondContact O-N 2.92Å; L20-L23 HydrophobicContact CD1-CD2 4.49Å; L20-L23 PolarHBondContact O-N 2.87Å; L20-L24 HydrophobicContact CD1-CD1 3.9Å; L20-L24 HydrophobicContact CD1-CG 4.12Å; L20-L24 HydrophobicContact CD2-CD1 4.41Å; L20-L24 HydrophobicContact CG-CD1 3.8Å; L20-L24 HydrophobicContact CG-CG 4.32Å; L20-L24 WeakPolarHBondContact O-CB 3.5Å; L20-L24 VanDerWaalsContact O-CG 3.31Å; L20-L24 WeakPolarHBondContact O-CG 2.98Å; L20-L24 PolarHBondContact O-N 3.12Å
21R94.1Very high89.1Confident175 Ų17567.8 Ų67.866%0.6635%0.353SS*.Hα-helixtrans-59.1-47.8173179.9-177.1175.6-175.6-0.9110.8L17 V18 L23 L24 T25 G26L17-R21 VanDerWaalsContact O-CB 3.27Å; L17-R21 WeakPolarHBondContact O-CB 3.44Å; L17-R21 PolarHBondContact O-N 2.02Å; V18-R21 PolarHBondContact O-N 2.71Å; R21-L23 VanDerWaalsContact C-N 3.33Å; R21-L23 PolarHBondContact O-N 2.88Å; R21-L24 PolarHBondContact O-N 2.77Å; R21-T25 WeakPolarHBondContact CG-OG1 3.45Å; R21-T25 WeakPolarHBondContact O-CA 3.32Å; R21-T25 WeakPolarHBondContact O-CB 3.43Å; R21-T25 PolarHBondContact O-N 2.89Å; R21-T25 PolarHBondContact O-OG1 3.43Å; R21-G26 PolarHBondContact O-N 2.83Å
22E91.7Very high89Confident42 Ų4265.2 Ų65.220%0.19633%0.331CS..Hα-helixtrans-66.2-35.6178.6-70.6-70.5157.600112.2V18 G19 G26 P592V18-E22 WeakPolarHBondContact O-CG 3.42Å; V18-E22 PolarHBondContact O-N 3.23Å; G19-E22 PolarHBondContact O-N 3.29Å; E22-G26 WeakPolarHBondContact O-CA 3.32Å; E22-G26 PolarHBondContact O-N 2.87Å; E22-P592 HydrophobicContact CG-CB 3.73Å; E22-P592 WeakPolarHBondContact CG-O 3.33Å
23L89.5Confident89Confident28 Ų2867.6 Ų67.615%0.14735%0.347CS..Hα-helixtrans-64.9-45.2174.4177.760.8000112.4G19 L20 R21 L599 R600G19-L23 WeakPolarHBondContact O-CB 2.93Å; G19-L23 PolarHBondContact O-N 2.68Å; L20-L23 HydrophobicContact CD1-CD2 4.49Å; L20-L23 PolarHBondContact O-N 2.87Å; R21-L23 VanDerWaalsContact C-N 3.33Å; R21-L23 PolarHBondContact O-N 2.88Å; L23-L599 HydrophobicContact CD2-CB 4.3Å; L23-R600 HydrophobicContact CD1-CB 3.72Å; L23-R600 HydrophobicContact CD1-CG 4.02Å
24L87.5Confident89Confident80 Ų8068.5 Ų68.542%0.41935%0.351SS..Hα-helixtrans-90.1-22.7-172.5-65179.1000114.4L20 R21 F27 Y243L20-L24 HydrophobicContact CD1-CD1 3.9Å; L20-L24 HydrophobicContact CD1-CG 4.12Å; L20-L24 HydrophobicContact CD2-CD1 4.41Å; L20-L24 HydrophobicContact CG-CD1 3.8Å; L20-L24 HydrophobicContact CG-CG 4.32Å; L20-L24 WeakPolarHBondContact O-CB 3.5Å; L20-L24 VanDerWaalsContact O-CG 3.31Å; L20-L24 WeakPolarHBondContact O-CG 2.98Å; L20-L24 PolarHBondContact O-N 3.12Å; R21-L24 PolarHBondContact O-N 2.77Å; L24-F27 WeakPolarHBondContact O-CE1 3.39Å; L24-F27 WeakPolarHBondContact O-CZ 3.34Å; L24-Y243 HydrophobicContact CD2-CD2 4.27Å; L24-Y243 HydrophobicContact CD2-CE2 4.49Å
25T83.9Confident88.9Confident88 Ų8867.2 Ų67.254%0.5434%0.336SS..Hα-helixtrans-137.2-9.9-173.966.40000113.9R21 F27R21-T25 WeakPolarHBondContact CG-OG1 3.45Å; R21-T25 WeakPolarHBondContact O-CA 3.32Å; R21-T25 WeakPolarHBondContact O-CB 3.43Å; R21-T25 PolarHBondContact O-N 2.89Å; R21-T25 PolarHBondContact O-OG1 3.43Å; T25-F27 PolarHBondContact O-N 2.97Å
26G77.1Confident88.8Confident23 Ų2372.7 Ų72.724%0.23735%0.354CS..  trans-78.128.3-176.700000114.9R21 E22R21-G26 PolarHBondContact O-N 2.83Å; E22-G26 WeakPolarHBondContact O-CA 3.32Å; E22-G26 PolarHBondContact O-N 2.87Å
27F76Confident88.8Confident52 Ų5274.2 Ų74.223%0.22836%0.361CS..SBendtrans-117159.2178.546.3-106.3000111.4L24 T25 R241L24-F27 WeakPolarHBondContact O-CE1 3.39Å; L24-F27 WeakPolarHBondContact O-CZ 3.34Å; T25-F27 PolarHBondContact O-N 2.97Å; F27-R241 HydrophobicContact CB-CG 4.05Å; F27-R241 HydrophobicContact CD2-CB 4.42Å; F27-R241 HydrophobicContact CD2-CG 3.75Å; F27-R241 HydrophobicContact CE2-CG 4.48Å; F27-R241 HydrophobicContact CG-CG 4.06Å
28E76.7Confident88.6Confident88 Ų8872.8 Ų72.841%0.41135%0.351SS..  trans-60.5154.1-179.6-62-179.1-168.400112R31 R241E28-R31 IonicContact OE2-CZ 3.4Å; E28-R31 IonicContact OE2-NH1 3.4Å; E28-R31 IonicContact OE2-NH2 3.17Å; E28-R241 WeakPolarHBondContact O-CD 3.31Å; E28-R241 PolarHBondContact O-NH1 3.03Å
29E82Confident88.4Confident167 Ų16774.1 Ų74.178%0.7835%0.353SS*.  trans-57.2156.6174.6-68-177.6172.600112.4R31E29-R31 PolarHBondContact O-N 2.97Å; E29-R31 VanDerWaalsContact O-N 3.07Å
30N84.3Confident88.4Confident60 Ų6083.9 Ų83.932%0.32139%0.391SS..  trans-71.8108.2179.5-165.2-5.9000109.9C32 R241 W283N30-C32 VanDerWaalsContact OD1-CB 3.31Å; N30-C32 WeakPolarHBondContact OD1-CB 3.28Å; N30-C32 PolarHBondContact OD1-N 3.17Å; N30-R241 VanDerWaalsContact N-NH1 3.18Å; N30-W283 WeakPolarHBondContact ND2-CH2 3.46Å
31R88.4Confident88.5Confident145 Ų14582.4 Ų82.455%0.54739%0.386SS..  trans-97.21.7176.3-63.8-175.9-173.3156.76.1113.3E28 E29 S33 V274E28-R31 IonicContact OE2-CZ 3.4Å; E28-R31 IonicContact OE2-NH1 3.4Å; E28-R31 IonicContact OE2-NH2 3.17Å; E29-R31 PolarHBondContact O-N 2.97Å; E29-R31 VanDerWaalsContact O-N 3.07Å; R31-S33 PolarHBondContact O-N 3.41Å; R31-V274 HydrophobicContact CB-CB 4.29Å; R31-V274 HydrophobicContact CB-CG1 3.6Å
32C90.5Very high88.6Confident12 Ų1278.8 Ų78.88%0.08138%0.377CS..PPolyproline II helixtrans-69.5127.8174-81.30000110.8N30 V274 T276 W283 C284N30-C32 VanDerWaalsContact OD1-CB 3.31Å; N30-C32 WeakPolarHBondContact OD1-CB 3.28Å; N30-C32 PolarHBondContact OD1-N 3.17Å; C32-V274 WeakPolarHBondContact SG-CG2 3.42Å; C32-T276 WeakPolarHBondContact SG-CG2 3.37Å; C32-W283 HydrophobicContact CB-CZ3 4.42Å; C32-C284 HydrophobicContact CB-CB 3.7Å; C32-C284 WeakPolarHBondContact CB-SG 3.4Å; C32-C284 WeakPolarHBondContact SG-CB 3.12Å; C32-C284 CovalentContact SG-SG 2.05Å; C32-C284 PolarHBondContact SG-SG 3.01Å
33S94.3Very high88.9Confident56 Ų5679 Ų7939%0.39238%0.376SS..PPolyproline II helixtrans-72139.4170.8-55.10000109.5R31 K285 E286R31-S33 PolarHBondContact O-N 3.41Å; S33-K285 WeakPolarHBondContact O-CB 3.33Å; S33-K285 PolarHBondContact O-N 2.86Å; S33-E286 WeakPolarHBondContact CB-OE1 3.45Å; S33-E286 PolarHBondContact N-OE1 2.73Å; S33-E286 PolarHBondContact N-OE2 3.2Å; S33-E286 PolarHBondContact OG-OE1 2.66Å
34M93.1Very high89.2Confident67 Ų6783.5 Ų83.533%0.3339%0.391SS..BIsolated β-bridgetrans-69.3135.3176.2-168.968.5-171.200110.5Y36 W283M34-Y36 HydrophobicContact CB-CE2 3.72Å; M34-Y36 HydrophobicContact CG-CE1 4.11Å; M34-Y36 HydrophobicContact CG-CE2 3.99Å; M34-Y36 WeakPolarHBondContact O-CE2 3.33Å; M34-W283 HydrophobicContact CE-CD2 4.36Å; M34-W283 HydrophobicContact CE-CE3 4.47Å; M34-W283 HydrophobicContact SD-CD2 3.82Å; M34-W283 HydrophobicContact SD-CE3 3.4Å; M34-W283 HydrophobicContact SD-CH2 4.27Å; M34-W283 HydrophobicContact SD-CZ3 3.67Å
35T93.9Very high89.6Confident6 Ų686.4 Ų86.44%0.03740%0.396CS..PPolyproline II helixtrans-80141.116253.50000110.3S98 V102 W283 K285 V288T35-S98 WeakPolarHBondContact OG1-CB 3.08Å; T35-S98 PolarHBondContact OG1-OG 3.36Å; T35-V102 HydrophobicContact CG2-CG2 4.19Å; T35-W283 VanDerWaalsContact CG2-O 3.26Å; T35-W283 WeakPolarHBondContact CG2-O 3.46Å; T35-W283 PolarHBondContact N-O 3.41Å; T35-W283 PolarHBondContact OG1-O 3.32Å; T35-K285 HydrophobicContact CG2-CB 3.78Å; T35-K285 HydrophobicContact CG2-CG 4.19Å; T35-V288 HydrophobicContact CG2-CB 4.26Å; T35-V288 HydrophobicContact CG2-CG1 4.37Å; T35-V288 HydrophobicContact CG2-CG2 4.34Å
36Y91.8Very high90.3Very high181 Ų18182.4 Ų82.471%0.7137%0.372SS*.  trans-119.4140173.4-63.6-87.7000109.5M34M34-Y36 HydrophobicContact CB-CE2 3.72Å; M34-Y36 HydrophobicContact CG-CE1 4.11Å; M34-Y36 HydrophobicContact CG-CE2 3.99Å; M34-Y36 WeakPolarHBondContact O-CE2 3.33Å
37M94.7Very high91Very high59 Ų5986.5 Ų86.529%0.29140%0.397SS..  trans-68.8137.2166.7-61.575.169.300108.1E39 P41 Y64 R97 S101M37-E39 WeakPolarHBondContact CB-O 3.31Å; M37-P41 HydrophobicContact CE-CG 4.37Å; M37-Y64 WeakPolarHBondContact CG-OH 3.4Å; M37-R97 HydrophobicContact CE-CG 4.5Å; M37-R97 HydrophobicContact CG-CB 4.12Å; M37-R97 HydrophobicContact CG-CG 4.47Å; M37-R97 HydrophobicContact SD-CB 3.98Å; M37-R97 VanDerWaalsContact SD-CD 3.59Å; M37-R97 HydrophobicContact SD-CG 3.67Å; M37-S101 WeakPolarHBondContact CA-OG 3.29Å
38F89.4Confident92Very high66 Ų6685.5 Ų85.529%0.28939%0.394SS..SBendtrans-82-24.9-178.669-89.4000111.2E66 S101 L104 R105F38-E66 WeakPolarHBondContact CD1-OE2 3.48Å; F38-E66 HydrophobicContact CE1-CB 4.05Å; F38-E66 HydrophobicContact CE1-CG 4.47Å; F38-E66 WeakPolarHBondContact CE1-OE2 3.28Å; F38-E66 HydrophobicContact CE2-CB 4.36Å; F38-E66 HydrophobicContact CZ-CB 3.76Å; F38-E66 PolarHBondContact N-OE2 2.87Å; F38-S101 WeakPolarHBondContact CD1-OG 3.04Å; F38-S101 PolarHBondContact N-OG 3.11Å; F38-L104 HydrophobicContact CE1-CB 4Å; F38-L104 HydrophobicContact CE1-CD1 4.45Å; F38-L104 HydrophobicContact CZ-CB 4.42Å; F38-R105 HydrophobicContact CD1-CB 4.49Å
39E92.4Very high92.8Very high87 Ų8783.5 Ų83.541%0.40739%0.388SS..SBendtrans-136.6-179.6174.7-80.9174.6165.900111.1M37 P41 E66 G67M37-E39 WeakPolarHBondContact CB-O 3.31Å; E39-P41 WeakPolarHBondContact O-CD 3.48Å; E39-E66 HydrophobicContact CB-CB 4.02Å; E39-E66 HydrophobicContact CB-CG 4.4Å; E39-E66 PolarHBondContact N-OE2 3.37Å; E39-G67 WeakPolarHBondContact OE2-CA 3.33Å; E39-G67 PolarHBondContact OE2-N 2.68Å; E39-G67 VanDerWaalsContact OE2-N 3.08Å
40Y92.3Very high93.4Very high205 Ų20585.5 Ų85.580%0.80439%0.389SS*.  trans-67.5124.7178.7-80.5-78.2000111.1E42Y40-E42 PolarHBondContact O-N 3.43Å
41P95.7Very high94Very high43 Ų4392.9 Ų92.928%0.27941%0.412SS..EExtended strand (participates in β ladder)trans-73.6126.9-179.728.8-34.4000111.4M37 E39 Y43 Y64M37-P41 HydrophobicContact CE-CG 4.37Å; E39-P41 WeakPolarHBondContact O-CD 3.48Å; P41-Y43 HydrophobicContact CB-CE2 4.12Å; P41-Y64 HydrophobicContact CB-CE2 3.66Å
42E96.1Very high94.3Very high100 Ų10086.5 Ų86.547%0.46739%0.389SS..EExtended strand (participates in β ladder)trans-111.5143.3174.1-67.5-169.7-153.900111.4Y40 G65 A70Y40-E42 PolarHBondContact O-N 3.43Å; E42-G65 PolarHBondContact N-O 2.96Å; E42-G65 PolarHBondContact O-N 2.04Å; E42-A70 HydrophobicContact CB-CB 4.01Å; E42-A70 HydrophobicContact CG-CB 4.25Å
43Y96.9Very high94.4Very high45 Ų4588.1 Ų88.118%0.17640%0.403CS..EExtended strand (participates in β ladder)trans-123.897.3-179.1-60.3-91.1000109.7P41 R45 Y64 Y93 K94 V96 T120P41-Y43 HydrophobicContact CB-CE2 4.12Å; Y43-R45 PolarHBondContact O-N 3.31Å; Y43-Y64 HydrophobicContact CD1-CD2 4.16Å; Y43-Y64 AromaticContact CE1-CD2 3.64Å; Y43-Y64 HydrophobicContact CE1-CD2 3.64Å; Y43-Y64 HydrophobicContact CE1-CE2 4.16Å; Y43-Y64 AromaticContact CZ-CD2 4Å; Y43-Y93 AromaticContact CD1-CD2 3.7Å; Y43-Y93 HydrophobicContact CD1-CD2 3.7Å; Y43-Y93 AromaticContact CD1-CE2 3.59Å; Y43-Y93 HydrophobicContact CD1-CE2 3.59Å; Y43-Y93 HydrophobicContact CD2-CE2 4.18Å; Y43-Y93 HydrophobicContact CE1-CD2 4.07Å; Y43-Y93 HydrophobicContact CE1-CE2 4.17Å; Y43-Y93 HydrophobicContact CG-CD2 4.2Å; Y43-Y93 AromaticContact CG-CE2 3.59Å; Y43-Y93 HydrophobicContact CG-CE2 3.59Å; Y43-K94 HydrophobicContact CD2-CG 4.47Å; Y43-K94 HydrophobicContact CE1-CB 4.35Å; Y43-K94 HydrophobicContact CE1-CG 4.19Å; Y43-K94 HydrophobicContact CE2-CB 4.4Å; Y43-K94 HydrophobicContact CE2-CD 4.24Å; Y43-K94 HydrophobicContact CE2-CG 3.88Å; Y43-K94 WeakPolarHBondContact OH-CA 3.28Å; Y43-K94 WeakPolarHBondContact OH-CB 3.27Å; Y43-K94 PolarHBondContact OH-O 3.14Å; Y43-K94 VanDerWaalsContact OH-O 3.14Å; Y43-V96 HydrophobicContact CE1-CG1 3.92Å; Y43-T120 HydrophobicContact CD1-CG2 4.29Å
44R96.6Very high94.4Very high124 Ų12495 Ų9547%0.46842%0.421SS..EExtended strand (participates in β ladder)trans-85114.8-176.4-174.562174.7165.63.3110.6V46 Y62 L63 R74 L76R44-V46 PolarHBondContact O-N 3.14Å; R44-Y62 CarbonylContact O-C 3.52Å; R44-Y62 VanDerWaalsContact O-CA 3.28Å; R44-Y62 WeakPolarHBondContact O-CA 3.35Å; R44-L63 HydrophobicContact CB-CB 4.41Å; R44-L63 PolarHBondContact N-O 2.82Å; R44-L63 PolarHBondContact O-N 2.94Å; R44-R74 PolarHBondContact NE-O 2.65Å; R44-L76 HydrophobicContact CG-CD2 4.14Å
45R96.6Very high94.5Very high140 Ų14096.6 Ų96.653%0.52843%0.43SS..EExtended strand (participates in β ladder)trans-64.3129.7178.4-164.5171.1-174.3167.15.2111.2Y43 L61 Y62Y43-R45 PolarHBondContact O-N 3.31Å; R45-L61 WeakPolarHBondContact CA-O 3.02Å; R45-Y62 HydrophobicContact CB-CD1 3.86Å; R45-Y62 HydrophobicContact CB-CE1 3.68Å; R45-Y62 HydrophobicContact CG-CD1 4.25Å; R45-Y62 HydrophobicContact CG-CE1 3.83Å
46V96.8Very high94.5Very high4 Ų497.5 Ų97.52%0.02443%0.433CS..  trans-86.7129.9173.9-179.60000109.1R44 L48 L61 L76 F119 L152R44-V46 PolarHBondContact O-N 3.14Å; V46-L48 PolarHBondContact O-N 2.86Å; V46-L61 HydrophobicContact CB-CB 4.3Å; V46-L61 HydrophobicContact CB-CD2 3.84Å; V46-L61 HydrophobicContact CB-CG 3.9Å; V46-L61 HydrophobicContact CG1-CD2 3.91Å; V46-L61 HydrophobicContact CG2-CD2 4.2Å; V46-L61 HydrophobicContact CG2-CG 4.03Å; V46-L61 PolarHBondContact N-O 3.06Å; V46-L76 HydrophobicContact CG1-CD1 4.48Å; V46-L76 HydrophobicContact CG2-CD1 4.46Å; V46-L76 HydrophobicContact CG2-CD2 4.44Å; V46-F119 HydrophobicContact CG2-CD1 4.16Å; V46-F119 HydrophobicContact CG2-CE1 4.02Å; V46-L152 HydrophobicContact CG1-CD1 4.15Å
47S93.6Very high94.5Very high109 Ų10992.3 Ų92.376%0.76242%0.422SS*.  trans-70.6115.4178.6-59.70000111.1
48L95.4Very high94.4Very high31 Ų3190.3 Ų90.316%0.16241%0.414CS..  trans-88.2155.3175-62.3175.8000111.1V46 R50 V52 L61 F141 A148V46-L48 PolarHBondContact O-N 2.86Å; L48-R50 PolarHBondContact O-N 2.82Å; L48-V52 HydrophobicContact CB-CB 4.46Å; L48-V52 HydrophobicContact CB-CG1 4.45Å; L48-V52 HydrophobicContact CD1-CG1 4.21Å; L48-L61 HydrophobicContact CD2-CB 4.36Å; L48-L61 HydrophobicContact CD2-CD2 4.14Å; L48-F141 HydrophobicContact CD1-CE2 3.51Å; L48-F141 HydrophobicContact CD1-CZ 3.65Å; L48-A148 HydrophobicContact CD2-CB 3.64Å
49P95.1Very high94.7Very high46 Ų4687.3 Ų87.330%0.29940%0.401SS..  trans-54.4140.8171.7-23.533.3000111.4R51 V52 A53 R151P49-R51 PolarHBondContact O-N 3.31Å; P49-V52 HydrophobicContact CB-CG2 4.17Å; P49-V52 HydrophobicContact CG-CG2 4.23Å; P49-V52 WeakPolarHBondContact O-CA 3.43Å; P49-V52 WeakPolarHBondContact O-CB 2.99Å; P49-V52 PolarHBondContact O-N 2.92Å; P49-A53 PolarHBondContact O-N 2.83Å; P49-R151 VanDerWaalsContact CG-NH1 3.32Å
50R94.4Very high95Very high209 Ų20983.2 Ų83.279%0.78938%0.382SS*.Hα-helixtrans-51-38.3-176.4-68.8-177.2179.4174.1-0.6113.3L48 R54L48-R50 PolarHBondContact O-N 2.82Å; R50-R54 WeakPolarHBondContact O-CB 3.23Å; R50-R54 VanDerWaalsContact O-CG 3.31Å; R50-R54 WeakPolarHBondContact O-CG 3.47Å; R50-R54 PolarHBondContact O-N 2.81Å
51R95.6Very high95.2Very high215 Ų21573.4 Ų73.481%0.81134%0.344SS*.Hα-helixtrans-61.3-44.7176.3-175.1180178.1-1750.3112.3P49 L55P49-R51 PolarHBondContact O-N 3.31Å; R51-L55 WeakPolarHBondContact O-CB 3.23Å; R51-L55 PolarHBondContact O-N 3.31Å; R51-L55 VanDerWaalsContact O-N 3.08Å
52V94.9Very high95.4Very high11 Ų1172.8 Ų72.87%0.06734%0.336CS..Hα-helixtrans-68.9-45.4179.9-179.20000110.2L48 P49 R54 L55 Y56 F141 E144L48-V52 HydrophobicContact CB-CB 4.46Å; L48-V52 HydrophobicContact CB-CG1 4.45Å; L48-V52 HydrophobicContact CD1-CG1 4.21Å; P49-V52 HydrophobicContact CB-CG2 4.17Å; P49-V52 HydrophobicContact CG-CG2 4.23Å; P49-V52 WeakPolarHBondContact O-CA 3.43Å; P49-V52 WeakPolarHBondContact O-CB 2.99Å; P49-V52 PolarHBondContact O-N 2.92Å; V52-R54 VanDerWaalsContact C-N 3.27Å; V52-R54 PolarHBondContact O-N 2.79Å; V52-L55 PolarHBondContact O-N 2.86Å; V52-L55 VanDerWaalsContact O-N 3.12Å; V52-Y56 HydrophobicContact CG1-CD2 3.84Å; V52-Y56 HydrophobicContact CG1-CE2 4.32Å; V52-Y56 WeakPolarHBondContact O-CD2 3.29Å; V52-Y56 PolarHBondContact O-N 2.85Å; V52-F141 HydrophobicContact CG1-CD2 4.4Å; V52-F141 HydrophobicContact CG1-CE2 4.38Å; V52-E144 HydrophobicContact CG1-CB 3.87Å; V52-E144 HydrophobicContact CG1-CG 4.28Å; V52-E144 HydrophobicContact CG2-CB 4.16Å; V52-E144 HydrophobicContact CG2-CG 4Å
53A93.8Very high95.5Very high46 Ų4668 Ų6838%0.3831%0.314SS..Hα-helixtrans-61.6-33.4178.500000113.1P49 P57P49-A53 PolarHBondContact O-N 2.83Å; A53-P57 WeakPolarHBondContact O-CA 3.27Å
54R93.6Very high95.5Very high201 Ų20166 Ų6676%0.75831%0.306SS*.Hα-helixtrans-74.5-35.6173.6-73.3178.2-174178.50.1113.1R50 V52R50-R54 WeakPolarHBondContact O-CB 3.23Å; R50-R54 VanDerWaalsContact O-CG 3.31Å; R50-R54 WeakPolarHBondContact O-CG 3.47Å; R50-R54 PolarHBondContact O-N 2.81Å; V52-R54 VanDerWaalsContact C-N 3.27Å; V52-R54 PolarHBondContact O-N 2.79Å
55L94.1Very high95.5Very high101 Ų10160.2 Ų60.253%0.52929%0.285SS..Hα-helixtrans-75.9-30-178.7-172.662000112.4R51 V52 P57R51-L55 WeakPolarHBondContact O-CB 3.23Å; R51-L55 PolarHBondContact O-N 3.31Å; R51-L55 VanDerWaalsContact O-N 3.08Å; V52-L55 PolarHBondContact O-N 2.86Å; V52-L55 VanDerWaalsContact O-N 3.12Å; L55-P57 VanDerWaalsContact C-CD 3.45Å; L55-P57 WeakPolarHBondContact O-CD 3.07Å
56Y94.7Very high95.5Very high24 Ų2453.6 Ų53.69%0.09426%0.26CS..  trans-127.563.8-178.9-51.7-77.1000111V52 A58 Y59 Q137 H140 F141V52-Y56 HydrophobicContact CG1-CD2 3.84Å; V52-Y56 HydrophobicContact CG1-CE2 4.32Å; V52-Y56 WeakPolarHBondContact O-CD2 3.29Å; V52-Y56 PolarHBondContact O-N 2.85Å; Y56-A58 PolarHBondContact O-N 2.85Å; Y56-Y59 HydrophobicContact CD1-CD2 4.01Å; Y56-Y59 HydrophobicContact CD1-CE2 4.17Å; Y56-Y59 HydrophobicContact CG-CD2 4.28Å; Y56-Y59 PolarHBondContact O-N 3.44Å; Y56-Y59 VanDerWaalsContact O-N 3.16Å; Y56-Q137 HydrophobicContact CD1-CG 3.59Å; Y56-Q137 HydrophobicContact CE1-CG 3.41Å; Y56-Q137 VanDerWaalsContact CE1-CG 3.41Å; Y56-H140 HydrophobicContact CE1-CB 4.49Å; Y56-H140 WeakPolarHBondContact OH-CB 3.47Å; Y56-F141 HydrophobicContact CD1-CB 4.19Å; Y56-F141 HydrophobicContact CD1-CD2 4.37Å; Y56-F141 HydrophobicContact CD2-CB 4.47Å; Y56-F141 AromaticContact CD2-CD2 3.7Å; Y56-F141 HydrophobicContact CD2-CD2 3.7Å; Y56-F141 HydrophobicContact CE1-CB 4.43Å; Y56-F141 HydrophobicContact CG-CB 4.22Å; Y56-F141 AromaticContact CG-CD2 3.61Å; Y56-F141 HydrophobicContact CG-CD2 3.61Å; Y56-F141 HydrophobicContact CG-CE2 4.45Å; Y56-F141 HydrophobicContact CG-CG 4.34Å
57P92.3Very high95.2Very high72 Ų7254.2 Ų54.247%0.46827%0.267SS..THydrogen-bonded Turntrans-67.3-25.3-174.328.3-35.4000113.1A53 L55 Y59A53-P57 WeakPolarHBondContact O-CA 3.27Å; L55-P57 VanDerWaalsContact C-CD 3.45Å; L55-P57 WeakPolarHBondContact O-CD 3.07Å; P57-Y59 VanDerWaalsContact C-N 3.34Å
58A92.4Very high95.1Very high17 Ų1754.6 Ų54.614%0.1426%0.26CS..THydrogen-bonded Turntrans-77.1-19.2177.200000113.1Y56 N124 F861Y56-A58 PolarHBondContact O-N 2.85Å; A58-N124 HydrophobicContact CB-CB 4.18Å; A58-F861 HydrophobicContact CB-CD1 4.02Å; A58-F861 HydrophobicContact CB-CD2 3.76Å; A58-F861 HydrophobicContact CB-CE1 4.11Å; A58-F861 HydrophobicContact CB-CE2 3.86Å; A58-F861 HydrophobicContact CB-CG 3.84Å; A58-F861 HydrophobicContact CB-CZ 4.03Å
59Y96.3Very high95Very high4 Ų454.9 Ų54.92%0.01626%0.259CS..  trans-103.4154.7-171.4-57.3-23.3000113Y56 P57 D122 F123 N124 E126 Q137 Q138 F141Y56-Y59 HydrophobicContact CD1-CD2 4.01Å; Y56-Y59 HydrophobicContact CD1-CE2 4.17Å; Y56-Y59 HydrophobicContact CG-CD2 4.28Å; Y56-Y59 PolarHBondContact O-N 3.44Å; Y56-Y59 VanDerWaalsContact O-N 3.16Å; P57-Y59 VanDerWaalsContact C-N 3.34Å; Y59-D122 VanDerWaalsContact CA-O 3.22Å; Y59-D122 WeakPolarHBondContact CA-O 3.35Å; Y59-D122 WeakPolarHBondContact CB-O 3.16Å; Y59-F123 HydrophobicContact CD1-CD1 4.4Å; Y59-F123 HydrophobicContact CD2-CD1 4.41Å; Y59-F123 HydrophobicContact CE1-CB 4.42Å; Y59-F123 HydrophobicContact CE1-CD1 4.47Å; Y59-F123 HydrophobicContact CE2-CD1 4.46Å; Y59-F123 HydrophobicContact CG-CD1 4.39Å; Y59-N124 HydrophobicContact CD1-CB 4.46Å; Y59-E126 WeakPolarHBondContact CE1-OE1 3.45Å; Y59-E126 PolarHBondContact OH-OE1 3Å; Y59-E126 PolarHBondContact OH-OE2 2.95Å; Y59-Q137 HydrophobicContact CE2-CB 4.39Å; Y59-Q137 HydrophobicContact CE2-CG 3.94Å; Y59-Q138 HydrophobicContact CE2-CG 4.15Å; Y59-Q138 WeakPolarHBondContact OH-CG 3.48Å; Y59-F141 HydrophobicContact CD2-CB 3.64Å; Y59-F141 AromaticContact CD2-CD1 3.99Å; Y59-F141 HydrophobicContact CD2-CD1 3.99Å; Y59-F141 AromaticContact CD2-CD2 3.98Å; Y59-F141 HydrophobicContact CD2-CD2 3.98Å; Y59-F141 AromaticContact CD2-CG 3.58Å; Y59-F141 HydrophobicContact CD2-CG 3.58Å; Y59-F141 HydrophobicContact CE2-CB 4.2Å; Y59-F141 HydrophobicContact CG-CD1 4.25Å; Y59-F141 HydrophobicContact CG-CD2 4.44Å; Y59-F141 HydrophobicContact CG-CG 4.19Å
60G97Very high94.9Very high0 Ų053.2 Ų53.20%025%0.249CC..EExtended strand (participates in β ladder)trans-140.4154.5-177.500000113.1V121 D122G60-V121 CarbonylContact O-C 3.49Å; G60-V121 WeakPolarHBondContact O-CA 3.33Å; G60-D122 PolarHBondContact N-O 3.36Å; G60-D122 PolarHBondContact O-N 3.32Å
61L98.5Very high94.7Very high0 Ų049.5 Ų49.50%024%0.241CC..EExtended strand (participates in β ladder)trans-122.2130.7170.3175.364.9000107.9R45 V46 L48 L84 F119 V121 A148 I149R45-L61 WeakPolarHBondContact CA-O 3.02Å; V46-L61 HydrophobicContact CB-CB 4.3Å; V46-L61 HydrophobicContact CB-CD2 3.84Å; V46-L61 HydrophobicContact CB-CG 3.9Å; V46-L61 HydrophobicContact CG1-CD2 3.91Å; V46-L61 HydrophobicContact CG2-CD2 4.2Å; V46-L61 HydrophobicContact CG2-CG 4.03Å; V46-L61 PolarHBondContact N-O 3.06Å; L48-L61 HydrophobicContact CD2-CB 4.36Å; L48-L61 HydrophobicContact CD2-CD2 4.14Å; L61-L84 HydrophobicContact CD1-CD1 3.95Å; L61-F119 HydrophobicContact CD1-CB 4.34Å; L61-V121 HydrophobicContact CD1-CG2 4.18Å; L61-A148 HydrophobicContact CD2-CB 4.13Å; L61-I149 HydrophobicContact CD1-CD1 4.21Å; L61-I149 HydrophobicContact CD1-CG1 4.45Å; L61-I149 HydrophobicContact CD2-CG1 3.95Å
62Y98.4Very high94.5Very high29 Ų2946.4 Ų46.411%0.11424%0.235CC..EExtended strand (participates in β ladder)trans-132.1145.5-176.2-58.8-92.2000111.2R44 R45 Y93 F119 T120 D122R44-Y62 CarbonylContact O-C 3.52Å; R44-Y62 VanDerWaalsContact O-CA 3.28Å; R44-Y62 WeakPolarHBondContact O-CA 3.35Å; R45-Y62 HydrophobicContact CB-CD1 3.86Å; R45-Y62 HydrophobicContact CB-CE1 3.68Å; R45-Y62 HydrophobicContact CG-CD1 4.25Å; R45-Y62 HydrophobicContact CG-CE1 3.83Å; Y62-Y93 HydrophobicContact CD2-CD2 4.09Å; Y62-Y93 HydrophobicContact CD2-CE2 4.25Å; Y62-Y93 HydrophobicContact CD2-CG 4.32Å; Y62-Y93 HydrophobicContact CE2-CD1 4.48Å; Y62-Y93 HydrophobicContact CE2-CE1 4.39Å; Y62-Y93 HydrophobicContact CE2-CE2 4.48Å; Y62-Y93 HydrophobicContact CG-CD2 4.41Å; Y62-Y93 HydrophobicContact CG-CE2 4.35Å; Y62-F119 CarbonylContact O-C 3.55Å; Y62-F119 WeakPolarHBondContact O-CA 3.49Å; Y62-T120 PolarHBondContact N-O 3.07Å; Y62-T120 PolarHBondContact O-N 3.45Å; Y62-D122 HydrophobicContact CD2-CB 4.14Å; Y62-D122 HydrophobicContact CE2-CB 3.58Å
63L98.4Very high94.4Very high1 Ų146.4 Ų46.41%0.00524%0.235CC..EExtended strand (participates in β ladder)trans-95.5130165176.670.1000108.4R44 L76 L78 N117 F119R44-L63 HydrophobicContact CB-CB 4.41Å; R44-L63 PolarHBondContact N-O 2.82Å; R44-L63 PolarHBondContact O-N 2.94Å; L63-L76 HydrophobicContact CB-CD2 4.34Å; L63-L76 HydrophobicContact CD2-CD2 3.85Å; L63-L78 HydrophobicContact CD1-CD1 4.47Å; L63-L78 HydrophobicContact CD2-CD1 4.19Å; L63-L78 HydrophobicContact CD2-CD2 3.72Å; L63-N117 HydrophobicContact CD1-CB 4.17Å; L63-F119 HydrophobicContact CB-CD1 4.07Å; L63-F119 HydrophobicContact CB-CE1 4.07Å; L63-F119 HydrophobicContact CD1-CD1 4Å; L63-F119 HydrophobicContact CD1-CD2 4.39Å; L63-F119 HydrophobicContact CD1-CE1 3.82Å; L63-F119 HydrophobicContact CD1-CE2 4.22Å; L63-F119 HydrophobicContact CD1-CG 4.3Å; L63-F119 HydrophobicContact CD1-CZ 3.95Å; L63-F119 HydrophobicContact CG-CE1 4.47Å
64Y98Very high94.2Very high3 Ų352.6 Ų52.61%0.01225%0.249CC..EExtended strand (participates in β ladder)trans-82.3138.7173.5-178.8-95.6000110.9M37 P41 Y43 E66 V96 R97 G100 L104 V118M37-Y64 WeakPolarHBondContact CG-OH 3.4Å; P41-Y64 HydrophobicContact CB-CE2 3.66Å; Y43-Y64 HydrophobicContact CD1-CD2 4.16Å; Y43-Y64 AromaticContact CE1-CD2 3.64Å; Y43-Y64 HydrophobicContact CE1-CD2 3.64Å; Y43-Y64 HydrophobicContact CE1-CE2 4.16Å; Y43-Y64 AromaticContact CZ-CD2 4Å; Y64-E66 HydrophobicContact CE1-CG 4.17Å; Y64-E66 WeakPolarHBondContact CE1-OE1 3.4Å; Y64-E66 VanDerWaalsContact CZ-OE1 3.26Å; Y64-E66 VanDerWaalsContact OH-CD 3.3Å; Y64-E66 PolarHBondContact OH-OE1 2.84Å; Y64-V96 HydrophobicContact CD2-CG1 4.07Å; Y64-V96 HydrophobicContact CG-CG1 4.42Å; Y64-R97 HydrophobicContact CE2-CB 3.78Å; Y64-R97 PolarHBondContact OH-O 3.05Å; Y64-G100 VanDerWaalsContact CE1-C 3.47Å; Y64-L104 HydrophobicContact CD1-CD1 4.29Å; Y64-L104 HydrophobicContact CE1-CD1 4.07Å; Y64-V118 WeakPolarHBondContact CB-O 3.23Å; Y64-V118 PolarHBondContact N-O 3.1Å
65G96.3Very high94.1Very high2 Ų246.6 Ų46.62%0.02124%0.242CC..EExtended strand (participates in β ladder)trans-153.9163.3171.600000112.4E42E42-G65 PolarHBondContact N-O 2.96Å; E42-G65 PolarHBondContact O-N 2.04Å
66E95.1Very high94Very high0 Ų043 Ų430%022%0.224CC..EExtended strand (participates in β ladder)trans-133.8142.4174.9-82.7174.7-113.900108.6F38 E39 Y64 L68 Y69 A70 S101 L104F38-E66 WeakPolarHBondContact CD1-OE2 3.48Å; F38-E66 HydrophobicContact CE1-CB 4.05Å; F38-E66 HydrophobicContact CE1-CG 4.47Å; F38-E66 WeakPolarHBondContact CE1-OE2 3.28Å; F38-E66 HydrophobicContact CE2-CB 4.36Å; F38-E66 HydrophobicContact CZ-CB 3.76Å; F38-E66 PolarHBondContact N-OE2 2.87Å; E39-E66 HydrophobicContact CB-CB 4.02Å; E39-E66 HydrophobicContact CB-CG 4.4Å; E39-E66 PolarHBondContact N-OE2 3.37Å; Y64-E66 HydrophobicContact CE1-CG 4.17Å; Y64-E66 WeakPolarHBondContact CE1-OE1 3.4Å; Y64-E66 VanDerWaalsContact CZ-OE1 3.26Å; Y64-E66 VanDerWaalsContact OH-CD 3.3Å; Y64-E66 PolarHBondContact OH-OE1 2.84Å; E66-L68 PolarHBondContact O-N 2.9Å; E66-Y69 PolarHBondContact O-N 2.61Å; E66-Y69 VanDerWaalsContact O-N 3.17Å; E66-A70 PolarHBondContact O-N 3.16Å; E66-S101 WeakPolarHBondContact OE1-CA 3.35Å; E66-S101 WeakPolarHBondContact OE1-CB 3.17Å; E66-S101 PolarHBondContact OE1-OG 3.13Å; E66-S101 PolarHBondContact OE2-OG 3.44Å; E66-L104 HydrophobicContact CB-CD1 4.04Å
67G92.3Very high93.8Very high17 Ų1750.3 Ų50.318%0.17526%0.256CS..Hα-helixtrans31.1-115.8-179.300000116.5E39 Y69 A70 Q71E39-G67 WeakPolarHBondContact OE2-CA 3.33Å; E39-G67 PolarHBondContact OE2-N 2.68Å; E39-G67 VanDerWaalsContact OE2-N 3.08Å; G67-Y69 VanDerWaalsContact C-N 3.31Å; G67-Y69 PolarHBondContact O-N 2.9Å; G67-A70 WeakPolarHBondContact O-CB 3.48Å; G67-A70 PolarHBondContact O-N 2.99Å; G67-A70 VanDerWaalsContact O-N 3.1Å; G67-Q71 PolarHBondContact O-N 2.99Å
68L90.8Very high93.9Very high118 Ų11847.2 Ų47.262%0.61824%0.235SC*.Hα-helixtrans-58.3-42.3-173.4-73.6175.1000112.3E66 A70 Q71 E72E66-L68 PolarHBondContact O-N 2.9Å; L68-A70 VanDerWaalsContact C-N 3.29Å; L68-A70 PolarHBondContact O-N 2.91Å; L68-Q71 WeakPolarHBondContact O-CB 3.35Å; L68-Q71 PolarHBondContact O-N 2.77Å; L68-Q71 VanDerWaalsContact O-N 3.08Å; L68-E72 WeakPolarHBondContact O-CG 3.45Å; L68-E72 PolarHBondContact O-N 2.59Å
69Y92.6Very high93.9Very high37 Ų3750 Ų5015%0.14525%0.251CS..Hα-helixtrans-62.5-37.1178.5174.9-92000111.9E66 G67 Q71 T73 L104 H115 N117E66-Y69 PolarHBondContact O-N 2.61Å; E66-Y69 VanDerWaalsContact O-N 3.17Å; G67-Y69 VanDerWaalsContact C-N 3.31Å; G67-Y69 PolarHBondContact O-N 2.9Å; Y69-Q71 VanDerWaalsContact C-N 3.32Å; Y69-Q71 PolarHBondContact O-N 3.05Å; Y69-T73 HydrophobicContact CD1-CG2 4.46Å; Y69-T73 HydrophobicContact CD2-CG2 4.15Å; Y69-T73 HydrophobicContact CE1-CG2 4.08Å; Y69-T73 HydrophobicContact CE2-CG2 3.75Å; Y69-T73 WeakPolarHBondContact O-CB 3.38Å; Y69-T73 WeakPolarHBondContact O-CG2 3.13Å; Y69-T73 PolarHBondContact O-N 2.69Å; Y69-T73 PolarHBondContact O-OG1 2.89Å; Y69-L104 HydrophobicContact CD1-CD1 4.13Å; Y69-L104 HydrophobicContact CD1-CD2 3.66Å; Y69-L104 HydrophobicContact CD2-CD2 4.01Å; Y69-L104 HydrophobicContact CE1-CD2 3.79Å; Y69-L104 HydrophobicContact CE2-CD2 4.12Å; Y69-L104 HydrophobicContact CG-CD2 3.77Å; Y69-H115 AromaticContact CE2-CD2 3.95Å; Y69-N117 PolarHBondContact OH-ND2 3.1Å
70A93.1Very high93.7Very high11 Ų1149.9 Ų49.99%0.09125%0.25CS..Hα-helixtrans-64.4-37.3174.800000112.2E42 E66 G67 L68 R74E42-A70 HydrophobicContact CB-CB 4.01Å; E42-A70 HydrophobicContact CG-CB 4.25Å; E66-A70 PolarHBondContact O-N 3.16Å; G67-A70 WeakPolarHBondContact O-CB 3.48Å; G67-A70 PolarHBondContact O-N 2.99Å; G67-A70 VanDerWaalsContact O-N 3.1Å; L68-A70 VanDerWaalsContact C-N 3.29Å; L68-A70 PolarHBondContact O-N 2.91Å; A70-R74 PolarHBondContact O-N 3.42Å
71Q91.6Very high93.7Very high130 Ų13049.9 Ų49.961%0.60725%0.25SS*.Hα-helixtrans-69.3-46.5177.5-63.9178.49.700112G67 L68 Y69 T73 R74G67-Q71 PolarHBondContact O-N 2.99Å; L68-Q71 WeakPolarHBondContact O-CB 3.35Å; L68-Q71 PolarHBondContact O-N 2.77Å; L68-Q71 VanDerWaalsContact O-N 3.08Å; Y69-Q71 VanDerWaalsContact C-N 3.32Å; Y69-Q71 PolarHBondContact O-N 3.05Å; Q71-T73 VanDerWaalsContact C-N 3.32Å; Q71-T73 PolarHBondContact O-N 3.38Å; Q71-R74 WeakPolarHBondContact O-CB 3.37Å; Q71-R74 PolarHBondContact O-N 2.88Å
72E90.8Very high93.7Very high150 Ų15049.9 Ų49.970%0.70125%0.25SS*.Hα-helixtrans-63.3-38.2179.2-70.6179.3170.100112.2L68 R74L68-E72 WeakPolarHBondContact O-CG 3.45Å; L68-E72 PolarHBondContact O-N 2.59Å; E72-R74 VanDerWaalsContact C-N 3.28Å; E72-R74 PolarHBondContact O-N 2.67Å
73T92Very high93.7Very high11 Ų1148.5 Ų48.57%0.06725%0.245CC..G310 helixtrans-86.27.5-178.760.30000114.1Y69 Q71 A75 L76 L78Y69-T73 HydrophobicContact CD1-CG2 4.46Å; Y69-T73 HydrophobicContact CD2-CG2 4.15Å; Y69-T73 HydrophobicContact CE1-CG2 4.08Å; Y69-T73 HydrophobicContact CE2-CG2 3.75Å; Y69-T73 WeakPolarHBondContact O-CB 3.38Å; Y69-T73 WeakPolarHBondContact O-CG2 3.13Å; Y69-T73 PolarHBondContact O-N 2.69Å; Y69-T73 PolarHBondContact O-OG1 2.89Å; Q71-T73 VanDerWaalsContact C-N 3.32Å; Q71-T73 PolarHBondContact O-N 3.38Å; T73-A75 PolarHBondContact O-N 3.09Å; T73-A75 VanDerWaalsContact O-N 3.12Å; T73-L76 WeakPolarHBondContact O-CA 3.03Å; T73-L76 PolarHBondContact O-N 2.81Å; T73-L78 HydrophobicContact CG2-CD2 3.73Å
74R90.9Very high93.7Very high177 Ų17748.5 Ų48.567%0.66825%0.245SC*.G310 helixtrans-56.4-33-178.8-171.6176.3-174.4-177.42.7113.7R44 A70 Q71 E72 L76R44-R74 PolarHBondContact NE-O 2.65Å; A70-R74 PolarHBondContact O-N 3.42Å; Q71-R74 WeakPolarHBondContact O-CB 3.37Å; Q71-R74 PolarHBondContact O-N 2.88Å; E72-R74 VanDerWaalsContact C-N 3.28Å; E72-R74 PolarHBondContact O-N 2.67Å; R74-L76 VanDerWaalsContact C-N 3.33Å
75A90.1Very high93.7Very high74 Ų7448.5 Ų48.561%0.61225%0.245SC*.G310 helixtrans-86.53.2177.300000114T73 K77T73-A75 PolarHBondContact O-N 3.09Å; T73-A75 VanDerWaalsContact O-N 3.12Å; A75-K77 HydrophobicContact CB-CG 4.4Å; A75-K77 PolarHBondContact O-N 2.67Å
76L92.3Very high93.8Very high27 Ų2748.4 Ų48.414%0.14124%0.244CC..  trans54.633.3-177.3-60.1172.7000113.7R44 V46 L63 T73 R74 L152R44-L76 HydrophobicContact CG-CD2 4.14Å; V46-L76 HydrophobicContact CG1-CD1 4.48Å; V46-L76 HydrophobicContact CG2-CD1 4.46Å; V46-L76 HydrophobicContact CG2-CD2 4.44Å; L63-L76 HydrophobicContact CB-CD2 4.34Å; L63-L76 HydrophobicContact CD2-CD2 3.85Å; T73-L76 WeakPolarHBondContact O-CA 3.03Å; T73-L76 PolarHBondContact O-N 2.81Å; R74-L76 VanDerWaalsContact C-N 3.33Å; L76-L152 HydrophobicContact CB-CD2 4.29Å
77K91.4Very high93.9Very high177 Ų17748.5 Ų48.577%0.7724%0.244SC*.  trans-89104.1168.8-67.2-176.3179.7-179.90108.3A75A75-K77 HydrophobicContact CB-CG 4.4Å; A75-K77 PolarHBondContact O-N 2.67Å
78L93.7Very high94Very high7 Ų748 Ų484%0.03724%0.24CC..  trans-119.6145.4-166.3-55.9177.3000111.6L63 T73 F119 L152 Y153L63-L78 HydrophobicContact CD1-CD1 4.47Å; L63-L78 HydrophobicContact CD2-CD1 4.19Å; L63-L78 HydrophobicContact CD2-CD2 3.72Å; T73-L78 HydrophobicContact CG2-CD2 3.73Å; L78-F119 HydrophobicContact CD1-CE1 4.12Å; L78-F119 HydrophobicContact CD1-CE2 4.34Å; L78-F119 HydrophobicContact CD1-CZ 3.44Å; L78-F119 VanDerWaalsContact CD1-CZ 3.44Å; L78-L152 HydrophobicContact CD1-CD1 4.01Å; L78-Y153 HydrophobicContact CB-CD1 4.49Å; L78-Y153 HydrophobicContact CB-CE1 3.73Å
79T91.4Very high94.2Very high76 Ų7644.4 Ų44.447%0.46622%0.221SC..  trans-133.4-7.7-177.355.40000113.9H115 L156T79-H115 PolarHBondContact OG1-CE1 2.92Å; T79-H115 VanDerWaalsContact OG1-CE1 3.31Å; T79-L156 HydrophobicContact CG2-CD2 4.03Å
80G93.4Very high94.2Very high1 Ų144.3 Ų44.31%0.0123%0.228CC..SBendtrans-84.6174.2179.200000113.5H115 N117 Y153G80-H115 CarbonylContact C-O 3.57Å; G80-H115 WeakPolarHBondContact CA-NE2 3.28Å; G80-H115 WeakPolarHBondContact CA-O 3.17Å; G80-H115 PolarHBondContact N-CE1 3.24Å; G80-H115 PolarHBondContact N-NE2 3.24Å; G80-N117 VanDerWaalsContact C-OD1 3.22Å; G80-N117 WeakPolarHBondContact CA-OD1 3.43Å; G80-N117 PolarHBondContact N-OD1 3.12Å; G80-N117 PolarHBondContact O-OD1 3.05Å; G80-Y153 WeakPolarHBondContact O-CE1 3.44Å
81A96.3Very high94.3Very high0 Ų043.9 Ų43.90%023%0.225CC..EExtended strand (participates in β ladder)trans-79.7130.3-179.600000111.3H115 L116 N117 I299 F306A81-H115 PolarHBondContact N-O 2.78Å; A81-L116 HydrophobicContact CB-CD2 3.91Å; A81-L116 WeakPolarHBondContact O-CA 3.33Å; A81-N117 PolarHBondContact O-N 2.9Å; A81-I299 HydrophobicContact CB-CD1 4.49Å; A81-I299 HydrophobicContact CB-CG1 4.43Å; A81-F306 HydrophobicContact CB-CD2 3.76Å; A81-F306 HydrophobicContact CB-CE2 3.6Å; A81-F306 HydrophobicContact CB-CZ 4.29Å
82P97.9Very high94.5Very high0 Ų039 Ų390%021%0.205CC..EExtended strand (participates in β ladder)trans-79.8125.1-172.530.1-34.4000112.7F119 I149 Y153 P160 V163 V164P82-F119 HydrophobicContact CB-CE2 4.23Å; P82-I149 HydrophobicContact CB-CG2 3.83Å; P82-Y153 HydrophobicContact CB-CE2 4.14Å; P82-P160 HydrophobicContact CG-CB 3.93Å; P82-P160 HydrophobicContact CG-CG 3.97Å; P82-V163 HydrophobicContact CB-CG1 4.37Å; P82-V163 HydrophobicContact CB-CG2 4.34Å; P82-V163 HydrophobicContact CG-CG2 4.27Å; P82-V164 PolarHBondContact O-N 3.23Å
83V98.6Very high94.8Very high0 Ų033.6 Ų33.60%018%0.178CC..EExtended strand (participates in β ladder)trans-120.7132.6170.9-178.90000108.7L116 N117 F119 V164 V166 F295 F306V83-L116 HydrophobicContact CG2-CD1 4.38Å; V83-L116 HydrophobicContact CG2-CD2 4.23Å; V83-N117 PolarHBondContact N-O 2.85Å; V83-F119 PolarHBondContact O-N 3.23Å; V83-V164 CarbonylContact C-O 3.33Å; V83-V164 WeakPolarHBondContact CA-O 3.49Å; V83-V164 HydrophobicContact CG2-CB 4.4Å; V83-V166 HydrophobicContact CG1-CG2 3.9Å; V83-F295 HydrophobicContact CG1-CE2 4.15Å; V83-F295 HydrophobicContact CG1-CZ 4.42Å; V83-F295 HydrophobicContact CG2-CE2 4.49Å; V83-F306 HydrophobicContact CG2-CE2 3.69Å; V83-F306 HydrophobicContact CG2-CZ 3.55Å
84L98.8Very high95Very high0 Ų037.7 Ų37.70%020%0.195CC..EExtended strand (participates in β ladder)trans-116.6117.8178.6177.659.4000111.1L61 L86 F119 V121 L142 I146 I149 V163 V164 L165 V166L61-L84 HydrophobicContact CD1-CD1 3.95Å; L84-L86 HydrophobicContact CD2-CD2 4.21Å; L84-L86 HydrophobicContact CG-CD2 4.01Å; L84-F119 HydrophobicContact CD1-CB 3.75Å; L84-V121 HydrophobicContact CD1-CG2 3.76Å; L84-V121 HydrophobicContact CD2-CG2 4.3Å; L84-V121 HydrophobicContact CG-CG2 4.4Å; L84-L142 HydrophobicContact CD2-CD1 3.39Å; L84-L142 HydrophobicContact CG-CD1 4.43Å; L84-I146 HydrophobicContact CD2-CG1 4.11Å; L84-I149 HydrophobicContact CB-CD1 4.16Å; L84-I149 HydrophobicContact CD1-CD1 4.03Å; L84-I149 HydrophobicContact CD2-CD1 3.91Å; L84-I149 HydrophobicContact CG-CD1 4.25Å; L84-V163 HydrophobicContact CB-CG1 3.72Å; L84-V164 PolarHBondContact N-O 2.71Å; L84-L165 HydrophobicContact CB-CD2 3.88Å; L84-L165 HydrophobicContact CD2-CD2 4.05Å; L84-L165 HydrophobicContact CG-CD2 4.27Å; L84-L165 WeakPolarHBondContact O-CA 3.35Å; L84-V166 PolarHBondContact O-N 3.39Å
85F98.8Very high95.2Very high4 Ų431 Ų312%0.01817%0.172CC..EExtended strand (participates in β ladder)trans-88.4136.8174.8-178.5-94.7000111.8P87 Q95 V96 F119 T120 V121 V166 H168 V282F85-P87 HydrophobicContact CE1-CB 4.17Å; F85-Q95 HydrophobicContact CE1-CB 3.77Å; F85-Q95 HydrophobicContact CZ-CB 3.89Å; F85-V96 HydrophobicContact CB-CB 3.93Å; F85-V96 HydrophobicContact CB-CG2 3.42Å; F85-V96 VanDerWaalsContact CB-CG2 3.42Å; F85-V96 HydrophobicContact CD1-CB 3.75Å; F85-V96 HydrophobicContact CD1-CG2 4.21Å; F85-V96 HydrophobicContact CD2-CG2 4.38Å; F85-V96 HydrophobicContact CE1-CB 4.44Å; F85-V96 HydrophobicContact CG-CB 3.82Å; F85-V96 HydrophobicContact CG-CG2 3.75Å; F85-F119 PolarHBondContact N-O 3.11Å; F85-T120 WeakPolarHBondContact O-CA 3.35Å; F85-V121 PolarHBondContact O-N 3.16Å; F85-V121 VanDerWaalsContact O-N 3.13Å; F85-V166 CarbonylContact C-O 3.51Å; F85-V166 VanDerWaalsContact CA-O 3.3Å; F85-V166 WeakPolarHBondContact CA-O 3.46Å; F85-V166 HydrophobicContact CD2-CB 4.15Å; F85-V166 HydrophobicContact CD2-CG1 3.94Å; F85-V166 HydrophobicContact CE2-CG1 4.32Å; F85-H168 HydrophobicContact CE2-CB 4.29Å; F85-H168 HydrophobicContact CZ-CB 3.99Å; F85-V282 HydrophobicContact CZ-CG1 4.49Å
86L98.6Very high95.6Very high0 Ų027.6 Ų27.60%014%0.143CC..EExtended strand (participates in β ladder)trans-120.6114.5179.9-50.9174.6000109.5L84 V121 F123 L142 V166 H168 G171 A175L84-L86 HydrophobicContact CD2-CD2 4.21Å; L84-L86 HydrophobicContact CG-CD2 4.01Å; L86-V121 HydrophobicContact CD2-CB 4.22Å; L86-V121 HydrophobicContact CD2-CG2 4Å; L86-F123 HydrophobicContact CB-CE2 4.49Å; L86-F123 HydrophobicContact CD2-CE2 4.5Å; L86-F123 HydrophobicContact CD2-CZ 4.47Å; L86-L142 HydrophobicContact CD1-CD1 4.24Å; L86-L142 HydrophobicContact CD1-CD2 3.54Å; L86-L142 HydrophobicContact CD2-CD1 3.41Å; L86-L142 VanDerWaalsContact CD2-CD1 3.41Å; L86-L142 HydrophobicContact CD2-CD2 4.11Å; L86-L142 HydrophobicContact CD2-CG 4.34Å; L86-L142 HydrophobicContact CG-CD1 4.43Å; L86-L142 HydrophobicContact CG-CD2 4.49Å; L86-V166 PolarHBondContact N-O 3.33Å; L86-H168 PolarHBondContact O-N 2.89Å; L86-G171 WeakPolarHBondContact CD1-O 3.44Å; L86-A175 HydrophobicContact CD1-CB 3.72Å
87P97.6Very high95.8Very high1 Ų130.7 Ų30.71%0.00615%0.153CC..  trans-72.4163.218031-34.8000111.9F85 G91 V121 F123 G171F85-P87 HydrophobicContact CE1-CB 4.17Å; P87-G91 WeakPolarHBondContact CB-O 3.08Å; P87-V121 WeakPolarHBondContact CD-O 3.1Å; P87-V121 VanDerWaalsContact CG-O 3.31Å; P87-V121 WeakPolarHBondContact CG-O 3.19Å; P87-F123 HydrophobicContact CG-CD2 3.94Å; P87-G171 WeakPolarHBondContact O-CA 3.22Å; P87-G171 PolarHBondContact O-N 3.4Å
88G94.1Very high96Very high7 Ų722.3 Ų22.37%0.07212%0.116CC..  trans-87.1-164.9179.300000115.6A90 G91 H168G88-A90 PolarHBondContact O-N 2.95Å; G88-G91 PolarHBondContact O-N 3.27Å; G88-H168 VanDerWaalsContact CA-O 3.25Å; G88-H168 WeakPolarHBondContact CA-O 3.45Å; G88-H168 PolarHBondContact N-O 3.11Å
89N94.3Very high96.2Very high42 Ų4222.5 Ų22.523%0.22512%0.117CC..THydrogen-bonded Turntrans-57.7125.4171.6170.778.7000111.6G91 L127 V128 A129 M170N89-G91 PolarHBondContact O-N 3.49Å; N89-L127 WeakPolarHBondContact OD1-CA 3.39Å; N89-V128 HydrophobicContact CB-CG2 4.33Å; N89-V128 PolarHBondContact OD1-N 3.49Å; N89-V128 VanDerWaalsContact OD1-N 3.08Å; N89-A129 HydrophobicContact CB-CB 3.59Å; N89-A129 VanDerWaalsContact CG-CB 3.46Å; N89-A129 WeakPolarHBondContact OD1-CB 3.37Å; N89-A129 PolarHBondContact OD1-N 3.34Å; N89-M170 HydrophobicContact CB-CG 4.32Å
90A93.4Very high96.5Very high36 Ų3618.9 Ų18.930%0.29810%0.095SC..THydrogen-bonded Turntrans49.526-171.400000114G88 E125 E126 L127G88-A90 PolarHBondContact O-N 2.95Å; A90-E125 WeakPolarHBondContact CA-O 3.42Å; A90-E126 PolarHBondContact N-O 3.44Å; A90-L127 HydrophobicContact CB-CD2 3.9Å
91G93.8Very high96.7Very high2 Ų219 Ų192%0.02110%0.096CC..  trans-88.3129.9-177.400000111.4P87 G88 N89P87-G91 WeakPolarHBondContact CB-O 3.08Å; G88-G91 PolarHBondContact O-N 3.27Å; N89-G91 PolarHBondContact O-N 3.49Å
92S95.9Very high96.7Very high27 Ų2720.1 Ų20.119%0.18910%0.103CC..  trans-76.4141.4171.9-162.40000110.7K94 Q95 E125S92-K94 PolarHBondContact O-N 3.02Å; S92-Q95 WeakPolarHBondContact O-CB 3.22Å; S92-Q95 VanDerWaalsContact O-CG 3.28Å; S92-Q95 WeakPolarHBondContact O-CG 3.1Å; S92-Q95 PolarHBondContact O-N 3.18Å; S92-E125 WeakPolarHBondContact CB-OE1 3.4Å; S92-E125 PolarHBondContact OG-OE1 3.37Å; S92-E125 VanDerWaalsContact OG-OE1 3.08Å
93Y96.8Very high96.6Very high37 Ų3720.2 Ų20.215%0.14510%0.103CC..G310 helixtrans-55.7-21170.967.1-90.6000112.8Y43 Y62 Q95 V96 T120 V121 D122Y43-Y93 AromaticContact CD1-CD2 3.7Å; Y43-Y93 HydrophobicContact CD1-CD2 3.7Å; Y43-Y93 AromaticContact CD1-CE2 3.59Å; Y43-Y93 HydrophobicContact CD1-CE2 3.59Å; Y43-Y93 HydrophobicContact CD2-CE2 4.18Å; Y43-Y93 HydrophobicContact CE1-CD2 4.07Å; Y43-Y93 HydrophobicContact CE1-CE2 4.17Å; Y43-Y93 HydrophobicContact CG-CD2 4.2Å; Y43-Y93 AromaticContact CG-CE2 3.59Å; Y43-Y93 HydrophobicContact CG-CE2 3.59Å; Y62-Y93 HydrophobicContact CD2-CD2 4.09Å; Y62-Y93 HydrophobicContact CD2-CE2 4.25Å; Y62-Y93 HydrophobicContact CD2-CG 4.32Å; Y62-Y93 HydrophobicContact CE2-CD1 4.48Å; Y62-Y93 HydrophobicContact CE2-CE1 4.39Å; Y62-Y93 HydrophobicContact CE2-CE2 4.48Å; Y62-Y93 HydrophobicContact CG-CD2 4.41Å; Y62-Y93 HydrophobicContact CG-CE2 4.35Å; Y93-Q95 PolarHBondContact O-N 3.33Å; Y93-V96 WeakPolarHBondContact O-CG1 3.11Å; Y93-V96 PolarHBondContact O-N 3.08Å; Y93-T120 HydrophobicContact CD2-CG2 3.87Å; Y93-T120 HydrophobicContact CG-CG2 4.36Å; Y93-T120 PolarHBondContact O-OG1 3.21Å; Y93-T120 VanDerWaalsContact O-OG1 3.07Å; Y93-V121 WeakPolarHBondContact CB-O 3.49Å; Y93-D122 HydrophobicContact CD1-CB 3.55Å; Y93-D122 HydrophobicContact CE1-CB 4.26Å; Y93-D122 HydrophobicContact CG-CB 4Å
94K96.9Very high96.5Very high97 Ų9720.9 Ų20.942%0.42211%0.107SC..G310 helixtrans-67.4-13.9178.1-59.6-174.8-178.1177.20114.1Y43 S92 V96 R97Y43-K94 HydrophobicContact CD2-CG 4.47Å; Y43-K94 HydrophobicContact CE1-CB 4.35Å; Y43-K94 HydrophobicContact CE1-CG 4.19Å; Y43-K94 HydrophobicContact CE2-CB 4.4Å; Y43-K94 HydrophobicContact CE2-CD 4.24Å; Y43-K94 HydrophobicContact CE2-CG 3.88Å; Y43-K94 WeakPolarHBondContact OH-CA 3.28Å; Y43-K94 WeakPolarHBondContact OH-CB 3.27Å; Y43-K94 PolarHBondContact OH-O 3.14Å; Y43-K94 VanDerWaalsContact OH-O 3.14Å; S92-K94 PolarHBondContact O-N 3.02Å; K94-V96 PolarHBondContact O-N 3Å; K94-V96 VanDerWaalsContact O-N 3.13Å; K94-R97 WeakPolarHBondContact O-CB 3.44Å; K94-R97 WeakPolarHBondContact O-CG 3.37Å; K94-R97 PolarHBondContact O-N 3.15Å
95Q95.9Very high96.2Very high37 Ų3728.2 Ų28.217%0.17313%0.134CC..G310 helixtrans-56-26.2174.7-73.9175.1-18.300112.8F85 S92 Y93 R97 V282F85-Q95 HydrophobicContact CE1-CB 3.77Å; F85-Q95 HydrophobicContact CZ-CB 3.89Å; S92-Q95 WeakPolarHBondContact O-CB 3.22Å; S92-Q95 VanDerWaalsContact O-CG 3.28Å; S92-Q95 WeakPolarHBondContact O-CG 3.1Å; S92-Q95 PolarHBondContact O-N 3.18Å; Y93-Q95 PolarHBondContact O-N 3.33Å; Q95-R97 PolarHBondContact O-N 3.08Å; Q95-R97 VanDerWaalsContact O-N 3.11Å; Q95-V282 HydrophobicContact CB-CG2 4.28Å
96V97.1Very high96Very high1 Ų131.9 Ų31.91%0.00615%0.15CC..G310 helixtrans-61.3-19.2178.6750000114.4Y43 Y64 F85 Y93 K94 S98 L99 G100 V118 T120Y43-V96 HydrophobicContact CE1-CG1 3.92Å; Y64-V96 HydrophobicContact CD2-CG1 4.07Å; Y64-V96 HydrophobicContact CG-CG1 4.42Å; F85-V96 HydrophobicContact CB-CB 3.93Å; F85-V96 HydrophobicContact CB-CG2 3.42Å; F85-V96 VanDerWaalsContact CB-CG2 3.42Å; F85-V96 HydrophobicContact CD1-CB 3.75Å; F85-V96 HydrophobicContact CD1-CG2 4.21Å; F85-V96 HydrophobicContact CD2-CG2 4.38Å; F85-V96 HydrophobicContact CE1-CB 4.44Å; F85-V96 HydrophobicContact CG-CB 3.82Å; F85-V96 HydrophobicContact CG-CG2 3.75Å; Y93-V96 WeakPolarHBondContact O-CG1 3.11Å; Y93-V96 PolarHBondContact O-N 3.08Å; K94-V96 PolarHBondContact O-N 3Å; K94-V96 VanDerWaalsContact O-N 3.13Å; V96-S98 PolarHBondContact O-N 3.07Å; V96-S98 VanDerWaalsContact O-N 3.09Å; V96-L99 WeakPolarHBondContact O-CB 3.32Å; V96-L99 PolarHBondContact O-N 3.21Å; V96-G100 PolarHBondContact O-N 2.67Å; V96-V118 HydrophobicContact CG2-CG1 3.36Å; V96-T120 HydrophobicContact CG1-CG2 3.84Å
97R96.9Very high95.7Very high93 Ų9332.6 Ų32.635%0.35116%0.156SC..Hα-helixtrans-51.7-38.6-170.966.7-167.8-177.5-170.9-2.7114.4M37 Y64 K94 Q95 G100 S101M37-R97 HydrophobicContact CE-CG 4.5Å; M37-R97 HydrophobicContact CG-CB 4.12Å; M37-R97 HydrophobicContact CG-CG 4.47Å; M37-R97 HydrophobicContact SD-CB 3.98Å; M37-R97 VanDerWaalsContact SD-CD 3.59Å; M37-R97 HydrophobicContact SD-CG 3.67Å; Y64-R97 HydrophobicContact CE2-CB 3.78Å; Y64-R97 PolarHBondContact OH-O 3.05Å; K94-R97 WeakPolarHBondContact O-CB 3.44Å; K94-R97 WeakPolarHBondContact O-CG 3.37Å; K94-R97 PolarHBondContact O-N 3.15Å; Q95-R97 PolarHBondContact O-N 3.08Å; Q95-R97 VanDerWaalsContact O-N 3.11Å; R97-G100 PolarHBondContact O-N 2.68Å; R97-S101 WeakPolarHBondContact O-CB 3.47Å; R97-S101 PolarHBondContact O-N 3.48Å
98S97Very high95.2Very high1 Ų138.7 Ų38.71%0.00719%0.185CC..Hα-helixtrans-65.9-46180-66.60000111.7T35 V96 V102 V282 W283T35-S98 WeakPolarHBondContact OG1-CB 3.08Å; T35-S98 PolarHBondContact OG1-OG 3.36Å; V96-S98 PolarHBondContact O-N 3.07Å; V96-S98 VanDerWaalsContact O-N 3.09Å; S98-V102 WeakPolarHBondContact O-CB 3.38Å; S98-V102 VanDerWaalsContact O-CG2 3.26Å; S98-V102 WeakPolarHBondContact O-CG2 3.29Å; S98-V102 PolarHBondContact O-N 3.12Å; S98-V282 WeakPolarHBondContact CB-O 3.46Å; S98-W283 WeakPolarHBondContact OG-CB 3.25Å
99L97.8Very high94.7Very high11 Ų1144.2 Ų44.26%0.05821%0.213CC..Hα-helixtrans-65.3-47.3175.3-177.670.5000111V96 A103 V166 T291 V292 F295V96-L99 WeakPolarHBondContact O-CB 3.32Å; V96-L99 PolarHBondContact O-N 3.21Å; L99-A103 VanDerWaalsContact O-CB 3.24Å; L99-A103 WeakPolarHBondContact O-CB 3.27Å; L99-A103 PolarHBondContact O-N 3.18Å; L99-V166 HydrophobicContact CD2-CB 4.42Å; L99-V166 HydrophobicContact CD2-CG1 4.42Å; L99-V166 HydrophobicContact CD2-CG2 4.13Å; L99-T291 HydrophobicContact CD1-CG2 4.26Å; L99-V292 HydrophobicContact CD1-CG2 3.73Å; L99-F295 HydrophobicContact CD1-CE2 4.15Å; L99-F295 HydrophobicContact CD2-CE2 4.46Å
100G97.1Very high94.2Very high0 Ų044.4 Ų44.40%021%0.213CC..Hα-helixtrans-60.7-49.4-17900000112.8Y64 V96 R97 A103 L104Y64-G100 VanDerWaalsContact CE1-C 3.47Å; V96-G100 PolarHBondContact O-N 2.67Å; R97-G100 PolarHBondContact O-N 2.68Å; G100-A103 PolarHBondContact O-N 2.98Å; G100-L104 WeakPolarHBondContact O-CG 3.39Å; G100-L104 PolarHBondContact O-N 2.77Å
101S96.9Very high93.5Very high3 Ų351.5 Ų51.52%0.02124%0.24CC..Hα-helixtrans-64.2-45.6-178-163.60000112.7M37 F38 E66 R97 A103 L104 R105M37-S101 WeakPolarHBondContact CA-OG 3.29Å; F38-S101 WeakPolarHBondContact CD1-OG 3.04Å; F38-S101 PolarHBondContact N-OG 3.11Å; E66-S101 WeakPolarHBondContact OE1-CA 3.35Å; E66-S101 WeakPolarHBondContact OE1-CB 3.17Å; E66-S101 PolarHBondContact OE1-OG 3.13Å; E66-S101 PolarHBondContact OE2-OG 3.44Å; R97-S101 WeakPolarHBondContact O-CB 3.47Å; R97-S101 PolarHBondContact O-N 3.48Å; S101-A103 VanDerWaalsContact C-N 3.29Å; S101-A103 PolarHBondContact O-N 3.33Å; S101-L104 PolarHBondContact O-N 2.94Å; S101-R105 PolarHBondContact O-N 2.83Å
102V96.9Very high92.6Very high24 Ų2453.9 Ų53.915%0.14527%0.265CS..Hα-helixtrans-65.3-36177.8175.90000111T35 S98 K106 V288 L289 V292T35-V102 HydrophobicContact CG2-CG2 4.19Å; S98-V102 WeakPolarHBondContact O-CB 3.38Å; S98-V102 VanDerWaalsContact O-CG2 3.26Å; S98-V102 WeakPolarHBondContact O-CG2 3.29Å; S98-V102 PolarHBondContact O-N 3.12Å; V102-K106 VanDerWaalsContact O-CB 3.28Å; V102-K106 WeakPolarHBondContact O-CB 3.49Å; V102-K106 PolarHBondContact O-N 2.9Å; V102-V288 HydrophobicContact CB-CG1 3.88Å; V102-V288 HydrophobicContact CG1-CG1 4.19Å; V102-V288 HydrophobicContact CG2-CG1 3.81Å; V102-L289 HydrophobicContact CG1-CD2 3.66Å; V102-L289 HydrophobicContact CG1-CG 4.43Å; V102-V292 HydrophobicContact CB-CG2 4.23Å; V102-V292 HydrophobicContact CG1-CB 4.11Å; V102-V292 HydrophobicContact CG1-CG1 4.23Å; V102-V292 HydrophobicContact CG1-CG2 3.91Å
103A96.6Very high92Very high1 Ų155 Ų551%0.00828%0.28CS..Hα-helixtrans-65.6-45.2175.100000112.8L99 G100 S101 K106 A107 L116 V118 V292L99-A103 VanDerWaalsContact O-CB 3.24Å; L99-A103 WeakPolarHBondContact O-CB 3.27Å; L99-A103 PolarHBondContact O-N 3.18Å; G100-A103 PolarHBondContact O-N 2.98Å; S101-A103 VanDerWaalsContact C-N 3.29Å; S101-A103 PolarHBondContact O-N 3.33Å; A103-K106 PolarHBondContact O-N 3.2Å; A103-A107 PolarHBondContact O-N 3.36Å; A103-L116 HydrophobicContact CB-CB 4.44Å; A103-L116 HydrophobicContact CB-CD1 4.02Å; A103-V118 HydrophobicContact CB-CG2 4.3Å; A103-V292 HydrophobicContact CB-CG1 4.35Å; A103-V292 HydrophobicContact CB-CG2 4.36Å
104L95.3Very high91.7Very high15 Ų1554 Ų548%0.07928%0.278CS..Hα-helixtrans-60.8-50.1176.9-71.9175.6000111.2F38 Y64 E66 Y69 G100 S101 K106 A107 E108F38-L104 HydrophobicContact CE1-CB 4Å; F38-L104 HydrophobicContact CE1-CD1 4.45Å; F38-L104 HydrophobicContact CZ-CB 4.42Å; Y64-L104 HydrophobicContact CD1-CD1 4.29Å; Y64-L104 HydrophobicContact CE1-CD1 4.07Å; E66-L104 HydrophobicContact CB-CD1 4.04Å; Y69-L104 HydrophobicContact CD1-CD1 4.13Å; Y69-L104 HydrophobicContact CD1-CD2 3.66Å; Y69-L104 HydrophobicContact CD2-CD2 4.01Å; Y69-L104 HydrophobicContact CE1-CD2 3.79Å; Y69-L104 HydrophobicContact CE2-CD2 4.12Å; Y69-L104 HydrophobicContact CG-CD2 3.77Å; G100-L104 WeakPolarHBondContact O-CG 3.39Å; G100-L104 PolarHBondContact O-N 2.77Å; S101-L104 PolarHBondContact O-N 2.94Å; L104-K106 VanDerWaalsContact C-N 3.26Å; L104-K106 PolarHBondContact O-N 3.08Å; L104-A107 WeakPolarHBondContact O-CA 3.31Å; L104-A107 VanDerWaalsContact O-CB 3.31Å; L104-A107 WeakPolarHBondContact O-CB 3.41Å; L104-A107 PolarHBondContact O-N 3.25Å; L104-E108 PolarHBondContact O-N 3.14Å
105R93.6Very high91.6Very high154 Ų15451 Ų5158%0.58127%0.265SS*.Hα-helixtrans-63.7-31.9178.7-168.4170-174.91673.9113.3F38 S101 N109F38-R105 HydrophobicContact CD1-CB 4.49Å; S101-R105 PolarHBondContact O-N 2.83Å; R105-N109 PolarHBondContact O-ND2 2.86Å
106K92.9Very high91.6Very high80 Ų8049.4 Ų49.435%0.34826%0.258SS..Hα-helixtrans-68.8-38.2173.1-179.557-179.9160.90111V102 A103 L104 E108 N109 M110 V292 F296V102-K106 VanDerWaalsContact O-CB 3.28Å; V102-K106 WeakPolarHBondContact O-CB 3.49Å; V102-K106 PolarHBondContact O-N 2.9Å; A103-K106 PolarHBondContact O-N 3.2Å; L104-K106 VanDerWaalsContact C-N 3.26Å; L104-K106 PolarHBondContact O-N 3.08Å; K106-E108 PolarHBondContact O-N 2.04Å; K106-N109 PolarHBondContact O-N 3.05Å; K106-M110 WeakPolarHBondContact O-CG 3.43Å; K106-V292 HydrophobicContact CB-CG1 4.02Å; K106-V292 HydrophobicContact CG-CG1 4.21Å; K106-F296 HydrophobicContact CB-CD2 4.24Å; K106-F296 HydrophobicContact CB-CE2 3.64Å; K106-F296 HydrophobicContact CB-CZ 4.06Å; K106-F296 HydrophobicContact CG-CD2 3.5Å; K106-F296 HydrophobicContact CG-CE1 4.44Å; K106-F296 HydrophobicContact CG-CE2 3.39Å; K106-F296 HydrophobicContact CG-CG 4.11Å; K106-F296 HydrophobicContact CG-CZ 3.9Å
107A92.8Very high91.6Very high16 Ų1649.4 Ų49.413%0.13226%0.258CS..Hα-helixtrans-64-35.4178.700000113.3A103 L104 N109 M110 H115 F296A103-A107 PolarHBondContact O-N 3.36Å; L104-A107 WeakPolarHBondContact O-CA 3.31Å; L104-A107 VanDerWaalsContact O-CB 3.31Å; L104-A107 WeakPolarHBondContact O-CB 3.41Å; L104-A107 PolarHBondContact O-N 3.25Å; A107-N109 PolarHBondContact O-N 3.48Å; A107-N109 VanDerWaalsContact O-N 3.14Å; A107-M110 WeakPolarHBondContact O-CB 3.48Å; A107-M110 PolarHBondContact O-N 2.82Å; A107-H115 HydrophobicContact CB-CB 3.53Å; A107-F296 HydrophobicContact CB-CE1 4.31Å; A107-F296 HydrophobicContact CB-CZ 3.96Å
108E88.6Confident91.7Very high129 Ų12945.2 Ų45.260%0.60324%0.242SC*.Hα-helixtrans-56.6-30.2176.2-67.2174.3160.700112.9L104 K106L104-E108 PolarHBondContact O-N 3.14Å; K106-E108 PolarHBondContact O-N 2.04Å
109N83.1Confident91.8Very high123 Ų12345.1 Ų45.166%0.65824%0.242SC*.THydrogen-bonded Turntrans-936.6-180-64.1-72.1000113.1R105 K106 A107R105-N109 PolarHBondContact O-ND2 2.86Å; K106-N109 PolarHBondContact O-N 3.05Å; A107-N109 PolarHBondContact O-N 3.48Å; A107-N109 VanDerWaalsContact O-N 3.14Å
110M84.3Confident91.8Very high46 Ų4644.6 Ų44.623%0.22724%0.239CC..  trans-104.5128.4-177.6-67.4-67.3-62.800111.1K106 A107 F296K106-M110 WeakPolarHBondContact O-CG 3.43Å; A107-M110 WeakPolarHBondContact O-CB 3.48Å; A107-M110 PolarHBondContact O-N 2.82Å; M110-F296 HydrophobicContact CE-CD1 4.09Å; M110-F296 HydrophobicContact CG-CD1 3.88Å; M110-F296 HydrophobicContact CG-CE1 3.79Å; M110-F296 HydrophobicContact SD-CD1 4.27Å
111E77.8Confident91.9Very high184 Ų18444.6 Ų44.686%0.8624%0.239SC*.G310 helixtrans-69.8154.7172.9-64.2177.3-17600111.7G113E111-G113 VanDerWaalsContact C-N 3.34Å; E111-G113 PolarHBondContact O-N 2.83Å
112G75.6Confident91.9Very high53 Ų5345.6 Ų45.655%0.54624%0.244SC..G310 helixtrans78.610.4174.800000115.7V114 R304G112-V114 VanDerWaalsContact C-N 3.26Å; G112-V114 PolarHBondContact O-N 3.17Å; G112-R304 PolarHBondContact O-NE 2.82Å
113G82.6Confident91.9Very high49 Ų4944.7 Ų44.751%0.50524%0.238SC..G310 helixtrans70.120.6175.700000114.1E111 H115E111-G113 VanDerWaalsContact C-N 3.34Å; E111-G113 PolarHBondContact O-N 2.83Å; G113-H115 PolarHBondContact O-N 2.82Å; G113-H115 PolarHBondContact O-ND1 3.32Å
114V90.8Very high91.8Very high18 Ų1846.9 Ų46.911%0.10925%0.25CC..  trans-70.4119.4177.7176.90000109.6G112 F296 I299 R304G112-V114 VanDerWaalsContact C-N 3.26Å; G112-V114 PolarHBondContact O-N 3.17Å; V114-F296 HydrophobicContact CG1-CD1 4.26Å; V114-F296 HydrophobicContact CG1-CE1 4.34Å; V114-I299 HydrophobicContact CG1-CB 4.25Å; V114-I299 HydrophobicContact CG1-CD1 3.58Å; V114-I299 HydrophobicContact CG1-CG2 3.73Å; V114-R304 HydrophobicContact CG2-CG 4.42Å
115H94.6Very high91.7Very high34 Ų3450 Ų5016%0.15726%0.264CS..  trans-148.9167.5177.968.5-78.7000111.1Y69 T79 G80 A81 A107 G113 N117Y69-H115 AromaticContact CE2-CD2 3.95Å; T79-H115 PolarHBondContact OG1-CE1 2.92Å; T79-H115 VanDerWaalsContact OG1-CE1 3.31Å; G80-H115 CarbonylContact C-O 3.57Å; G80-H115 WeakPolarHBondContact CA-NE2 3.28Å; G80-H115 WeakPolarHBondContact CA-O 3.17Å; G80-H115 PolarHBondContact N-CE1 3.24Å; G80-H115 PolarHBondContact N-NE2 3.24Å; A81-H115 PolarHBondContact N-O 2.78Å; A107-H115 HydrophobicContact CB-CB 3.53Å; G113-H115 PolarHBondContact O-N 2.82Å; G113-H115 PolarHBondContact O-ND1 3.32Å; H115-N117 PolarHBondContact CD2-ND2 2.68Å; H115-N117 VanDerWaalsContact CD2-ND2 3.29Å; H115-N117 PolarHBondContact NE2-ND2 2.71Å
116L96.4Very high91.7Very high3 Ų343.4 Ų43.42%0.01624%0.24CC..EExtended strand (participates in β ladder)trans-102.8138.6176.3-60.8179.7000109.9A81 V83 A103 V118 F295 F296 I299 F306A81-L116 HydrophobicContact CB-CD2 3.91Å; A81-L116 WeakPolarHBondContact O-CA 3.33Å; V83-L116 HydrophobicContact CG2-CD1 4.38Å; V83-L116 HydrophobicContact CG2-CD2 4.23Å; A103-L116 HydrophobicContact CB-CB 4.44Å; A103-L116 HydrophobicContact CB-CD1 4.02Å; L116-V118 HydrophobicContact CB-CG2 4.18Å; L116-F295 HydrophobicContact CD1-CB 3.83Å; L116-F295 HydrophobicContact CD1-CD2 3.91Å; L116-F295 HydrophobicContact CD1-CG 4.31Å; L116-F296 HydrophobicContact CD1-CE2 4.19Å; L116-F296 HydrophobicContact CG-CE2 4.38Å; L116-F296 HydrophobicContact CG-CZ 4.37Å; L116-I299 HydrophobicContact CD2-CD1 3.65Å; L116-I299 HydrophobicContact CD2-CG1 4.42Å; L116-I299 HydrophobicContact CG-CD1 4.5Å; L116-F306 HydrophobicContact CD2-CE1 4.43Å; L116-F306 HydrophobicContact CD2-CE2 4.19Å; L116-F306 HydrophobicContact CD2-CZ 3.66Å
117N97.3Very high91.6Very high0 Ų040.6 Ų40.60%023%0.229CC..EExtended strand (participates in β ladder)trans-99.1106165-55136.6000108.1L63 Y69 G80 A81 V83 H115 F119 Y153L63-N117 HydrophobicContact CD1-CB 4.17Å; Y69-N117 PolarHBondContact OH-ND2 3.1Å; G80-N117 VanDerWaalsContact C-OD1 3.22Å; G80-N117 WeakPolarHBondContact CA-OD1 3.43Å; G80-N117 PolarHBondContact N-OD1 3.12Å; G80-N117 PolarHBondContact O-OD1 3.05Å; A81-N117 PolarHBondContact O-N 2.9Å; V83-N117 PolarHBondContact N-O 2.85Å; H115-N117 PolarHBondContact CD2-ND2 2.68Å; H115-N117 VanDerWaalsContact CD2-ND2 3.29Å; H115-N117 PolarHBondContact NE2-ND2 2.71Å; N117-F119 HydrophobicContact CB-CE2 3.89Å; N117-F119 HydrophobicContact CB-CZ 4.5Å; N117-F119 WeakPolarHBondContact O-CD2 3.49Å; N117-Y153 WeakPolarHBondContact CB-OH 3.31Å; N117-Y153 VanDerWaalsContact CG-OH 3.28Å; N117-Y153 PolarHBondContact OD1-OH 3.16Å
118V98.3Very high91.6Very high5 Ų539.9 Ų39.93%0.0322%0.223CC..EExtended strand (participates in β ladder)trans-93111.4-174.9-176.50000109.7Y64 V96 A103 L116Y64-V118 WeakPolarHBondContact CB-O 3.23Å; Y64-V118 PolarHBondContact N-O 3.1Å; V96-V118 HydrophobicContact CG2-CG1 3.36Å; A103-V118 HydrophobicContact CB-CG2 4.3Å; L116-V118 HydrophobicContact CB-CG2 4.18Å
119F98.7Very high91.7Very high0 Ų034.8 Ų34.80%020%0.203CC..EExtended strand (participates in β ladder)trans-98.1158174.4-63.4-91.4000110.7V46 L61 Y62 L63 L78 P82 V83 L84 F85 N117 I149 L152 Y153V46-F119 HydrophobicContact CG2-CD1 4.16Å; V46-F119 HydrophobicContact CG2-CE1 4.02Å; L61-F119 HydrophobicContact CD1-CB 4.34Å; Y62-F119 CarbonylContact O-C 3.55Å; Y62-F119 WeakPolarHBondContact O-CA 3.49Å; L63-F119 HydrophobicContact CB-CD1 4.07Å; L63-F119 HydrophobicContact CB-CE1 4.07Å; L63-F119 HydrophobicContact CD1-CD1 4Å; L63-F119 HydrophobicContact CD1-CD2 4.39Å; L63-F119 HydrophobicContact CD1-CE1 3.82Å; L63-F119 HydrophobicContact CD1-CE2 4.22Å; L63-F119 HydrophobicContact CD1-CG 4.3Å; L63-F119 HydrophobicContact CD1-CZ 3.95Å; L63-F119 HydrophobicContact CG-CE1 4.47Å; L78-F119 HydrophobicContact CD1-CE1 4.12Å; L78-F119 HydrophobicContact CD1-CE2 4.34Å; L78-F119 HydrophobicContact CD1-CZ 3.44Å; L78-F119 VanDerWaalsContact CD1-CZ 3.44Å; P82-F119 HydrophobicContact CB-CE2 4.23Å; V83-F119 PolarHBondContact O-N 3.23Å; L84-F119 HydrophobicContact CD1-CB 3.75Å; F85-F119 PolarHBondContact N-O 3.11Å; N117-F119 HydrophobicContact CB-CE2 3.89Å; N117-F119 HydrophobicContact CB-CZ 4.5Å; N117-F119 WeakPolarHBondContact O-CD2 3.49Å; F119-I149 HydrophobicContact CB-CD1 3.97Å; F119-I149 HydrophobicContact CD1-CD1 4.34Å; F119-I149 HydrophobicContact CD1-CG1 4.08Å; F119-I149 HydrophobicContact CD2-CD1 4.1Å; F119-I149 HydrophobicContact CD2-CG1 4.28Å; F119-I149 HydrophobicContact CD2-CG2 4.11Å; F119-I149 HydrophobicContact CE1-CG1 4.22Å; F119-I149 HydrophobicContact CE2-CG1 4.43Å; F119-I149 HydrophobicContact CE2-CG2 3.73Å; F119-I149 HydrophobicContact CG-CD1 3.9Å; F119-I149 HydrophobicContact CG-CG1 4.08Å; F119-I149 HydrophobicContact CZ-CG1 4.37Å; F119-I149 HydrophobicContact CZ-CG2 4.02Å; F119-L152 HydrophobicContact CE1-CD1 3.96Å; F119-L152 HydrophobicContact CZ-CD1 4.03Å; F119-Y153 HydrophobicContact CE2-CE2 4.38Å; F119-Y153 HydrophobicContact CZ-CE2 4.38Å
120T98.6Very high92Very high0 Ų031.4 Ų31.40%018%0.184CC..EExtended strand (participates in β ladder)trans-142.3145.6173-174.80000111Y43 Y62 F85 Y93 V96Y43-T120 HydrophobicContact CD1-CG2 4.29Å; Y62-T120 PolarHBondContact N-O 3.07Å; Y62-T120 PolarHBondContact O-N 3.45Å; F85-T120 WeakPolarHBondContact O-CA 3.35Å; Y93-T120 HydrophobicContact CD2-CG2 3.87Å; Y93-T120 HydrophobicContact CG-CG2 4.36Å; Y93-T120 PolarHBondContact O-OG1 3.21Å; Y93-T120 VanDerWaalsContact O-OG1 3.07Å; V96-T120 HydrophobicContact CG1-CG2 3.84Å
121V98.1Very high92.4Very high0 Ų029.3 Ų29.30%017%0.174CC..EExtended strand (participates in β ladder)trans-95.6141.4172.41720000110.2G60 L61 L84 F85 L86 P87 Y93 F123 F141G60-V121 CarbonylContact O-C 3.49Å; G60-V121 WeakPolarHBondContact O-CA 3.33Å; L61-V121 HydrophobicContact CD1-CG2 4.18Å; L84-V121 HydrophobicContact CD1-CG2 3.76Å; L84-V121 HydrophobicContact CD2-CG2 4.3Å; L84-V121 HydrophobicContact CG-CG2 4.4Å; F85-V121 PolarHBondContact O-N 3.16Å; F85-V121 VanDerWaalsContact O-N 3.13Å; L86-V121 HydrophobicContact CD2-CB 4.22Å; L86-V121 HydrophobicContact CD2-CG2 4Å; P87-V121 WeakPolarHBondContact CD-O 3.1Å; P87-V121 VanDerWaalsContact CG-O 3.31Å; P87-V121 WeakPolarHBondContact CG-O 3.19Å; Y93-V121 WeakPolarHBondContact CB-O 3.49Å; V121-F123 HydrophobicContact CB-CE1 4.44Å; V121-F123 HydrophobicContact CB-CE2 4.36Å; V121-F123 HydrophobicContact CB-CZ 4.17Å; V121-F123 HydrophobicContact CG1-CD1 3.53Å; V121-F123 HydrophobicContact CG1-CD2 4.1Å; V121-F123 HydrophobicContact CG1-CE1 3.27Å; V121-F123 HydrophobicContact CG1-CE2 3.86Å; V121-F123 HydrophobicContact CG1-CG 3.94Å; V121-F123 HydrophobicContact CG1-CZ 3.44Å; V121-F123 VanDerWaalsContact CG1-CZ 3.44Å; V121-F141 HydrophobicContact CG1-CD1 3.82Å; V121-F141 HydrophobicContact CG1-CE1 3.66Å; V121-F141 HydrophobicContact CG2-CE1 4.5Å
122D97.4Very high93Very high24 Ų2420.7 Ų20.713%0.12814%0.135CC..EExtended strand (participates in β ladder)trans-103.5113167.7-177.410.3000109.5Y59 G60 Y62 Y93 N124Y59-D122 VanDerWaalsContact CA-O 3.22Å; Y59-D122 WeakPolarHBondContact CA-O 3.35Å; Y59-D122 WeakPolarHBondContact CB-O 3.16Å; G60-D122 PolarHBondContact N-O 3.36Å; G60-D122 PolarHBondContact O-N 3.32Å; Y62-D122 HydrophobicContact CD2-CB 4.14Å; Y62-D122 HydrophobicContact CE2-CB 3.58Å; Y93-D122 HydrophobicContact CD1-CB 3.55Å; Y93-D122 HydrophobicContact CE1-CB 4.26Å; Y93-D122 HydrophobicContact CG-CB 4Å; D122-N124 PolarHBondContact OD1-N 3Å
123F96.1Very high93.7Very high4 Ų418.9 Ų18.92%0.01812%0.116CC..  trans-99.323.6175.5-65.9-52.8000112.3Y59 L86 P87 V121 E125 E126 Q138 F141 V174Y59-F123 HydrophobicContact CD1-CD1 4.4Å; Y59-F123 HydrophobicContact CD2-CD1 4.41Å; Y59-F123 HydrophobicContact CE1-CB 4.42Å; Y59-F123 HydrophobicContact CE1-CD1 4.47Å; Y59-F123 HydrophobicContact CE2-CD1 4.46Å; Y59-F123 HydrophobicContact CG-CD1 4.39Å; L86-F123 HydrophobicContact CB-CE2 4.49Å; L86-F123 HydrophobicContact CD2-CE2 4.5Å; L86-F123 HydrophobicContact CD2-CZ 4.47Å; P87-F123 HydrophobicContact CG-CD2 3.94Å; V121-F123 HydrophobicContact CB-CE1 4.44Å; V121-F123 HydrophobicContact CB-CE2 4.36Å; V121-F123 HydrophobicContact CB-CZ 4.17Å; V121-F123 HydrophobicContact CG1-CD1 3.53Å; V121-F123 HydrophobicContact CG1-CD2 4.1Å; V121-F123 HydrophobicContact CG1-CE1 3.27Å; V121-F123 HydrophobicContact CG1-CE2 3.86Å; V121-F123 HydrophobicContact CG1-CG 3.94Å; V121-F123 HydrophobicContact CG1-CZ 3.44Å; V121-F123 VanDerWaalsContact CG1-CZ 3.44Å; F123-E125 PolarHBondContact O-N 3.29Å; F123-E125 VanDerWaalsContact O-N 3.11Å; F123-E126 WeakPolarHBondContact O-CG 3.4Å; F123-E126 PolarHBondContact O-N 3.34Å; F123-Q138 HydrophobicContact CB-CG 4.39Å; F123-Q138 HydrophobicContact CD1-CB 3.92Å; F123-Q138 HydrophobicContact CD1-CG 3.58Å; F123-Q138 HydrophobicContact CE1-CB 3.64Å; F123-Q138 HydrophobicContact CE1-CG 3.88Å; F123-Q138 HydrophobicContact CG-CG 3.98Å; F123-Q138 HydrophobicContact CZ-CB 4.06Å; F123-F141 HydrophobicContact CE1-CD1 4.05Å; F123-V174 HydrophobicContact CZ-CG1 4.48Å
124N94.6Very high94.2Very high47 Ų4716.9 Ų16.925%0.2519%0.094SC..THydrogen-bonded Turntrans57.527.7178.5-171.253.1000113.9A58 Y59 D122 E126 F861A58-N124 HydrophobicContact CB-CB 4.18Å; Y59-N124 HydrophobicContact CD1-CB 4.46Å; D122-N124 PolarHBondContact OD1-N 3Å; N124-E126 PolarHBondContact O-N 3.02Å; N124-E126 VanDerWaalsContact O-N 3.13Å; N124-F861 WeakPolarHBondContact ND2-CE2 3.44Å
125E94Very high94.5Very high81 Ų8116 Ų1638%0.3799%0.089SC..THydrogen-bonded Turntrans51.937.7178.7-57.5-179.9-176.500113.3A90 S92 F123A90-E125 WeakPolarHBondContact CA-O 3.42Å; S92-E125 WeakPolarHBondContact CB-OE1 3.4Å; S92-E125 PolarHBondContact OG-OE1 3.37Å; S92-E125 VanDerWaalsContact OG-OE1 3.08Å; F123-E125 PolarHBondContact O-N 3.29Å; F123-E125 VanDerWaalsContact O-N 3.11Å
126E93.4Very high94.5Very high15 Ų1518.8 Ų18.87%0.0710%0.104CC..  trans-65145.7-180-75.1173.7165.500113Y59 A90 F123 N124 V128 S134 Q138Y59-E126 WeakPolarHBondContact CE1-OE1 3.45Å; Y59-E126 PolarHBondContact OH-OE1 3Å; Y59-E126 PolarHBondContact OH-OE2 2.95Å; A90-E126 PolarHBondContact N-O 3.44Å; F123-E126 WeakPolarHBondContact O-CG 3.4Å; F123-E126 PolarHBondContact O-N 3.34Å; N124-E126 PolarHBondContact O-N 3.02Å; N124-E126 VanDerWaalsContact O-N 3.13Å; E126-V128 HydrophobicContact CB-CG1 4.05Å; E126-V128 PolarHBondContact O-N 3Å; E126-S134 VanDerWaalsContact OE2-CB 3.25Å; E126-S134 WeakPolarHBondContact OE2-CB 3.2Å; E126-Q138 PolarHBondContact OE2-NE2 3.17Å
127L91.2Very high94.4Very high22 Ų2222.3 Ų22.312%0.11512%0.121CC..  trans-80.153.3-178.4-66.1173000113.7N89 A90 A129 L130 Y131 L853N89-L127 WeakPolarHBondContact OD1-CA 3.39Å; A90-L127 HydrophobicContact CB-CD2 3.9Å; L127-A129 VanDerWaalsContact C-N 3.28Å; L127-A129 PolarHBondContact O-N 3.29Å; L127-L130 PolarHBondContact O-N 3.29Å; L127-L130 VanDerWaalsContact O-N 3.15Å; L127-Y131 PolarHBondContact O-N 3.06Å; L127-L853 HydrophobicContact CD1-CB 3.94Å
128V92.9Very high94.4Very high1 Ų122.4 Ų22.41%0.00612%0.121CC..THydrogen-bonded Turntrans-70.9-12.1-170.9-690000116.4N89 E126 L130 Y131 L135 M170N89-V128 HydrophobicContact CB-CG2 4.33Å; N89-V128 PolarHBondContact OD1-N 3.49Å; N89-V128 VanDerWaalsContact OD1-N 3.08Å; E126-V128 HydrophobicContact CB-CG1 4.05Å; E126-V128 PolarHBondContact O-N 3Å; V128-L130 VanDerWaalsContact C-N 3.31Å; V128-Y131 WeakPolarHBondContact CA-O 3.4Å; V128-L135 HydrophobicContact CB-CD2 3.78Å; V128-L135 HydrophobicContact CB-CG 4.27Å; V128-L135 HydrophobicContact CG1-CD2 4.15Å; V128-L135 HydrophobicContact CG1-CG 4.46Å; V128-L135 HydrophobicContact CG2-CD2 4.33Å; V128-M170 HydrophobicContact CG2-CB 3.62Å; V128-M170 HydrophobicContact CG2-CG 3.95Å
129A90.3Very high94.3Very high22 Ų2222.2 Ų22.218%0.18212%0.12CC..THydrogen-bonded Turntrans-79-18.2172.500000112.8N89 L127 M170N89-A129 HydrophobicContact CB-CB 3.59Å; N89-A129 VanDerWaalsContact CG-CB 3.46Å; N89-A129 WeakPolarHBondContact OD1-CB 3.37Å; N89-A129 PolarHBondContact OD1-N 3.34Å; L127-A129 VanDerWaalsContact C-N 3.28Å; L127-A129 PolarHBondContact O-N 3.29Å; A129-M170 HydrophobicContact CB-CG 3.96Å
130L90Very high94.3Very high52 Ų5225.2 Ų25.227%0.27213%0.134SC..THydrogen-bonded Turntrans-117-10.7-177.4-54.1175.9000112.8L127 V128 L206 P850L127-L130 PolarHBondContact O-N 3.29Å; L127-L130 VanDerWaalsContact O-N 3.15Å; V128-L130 VanDerWaalsContact C-N 3.31Å; L130-L206 HydrophobicContact CB-CD1 4.17Å; L130-L206 HydrophobicContact CD2-CD1 3.69Å; L130-L206 HydrophobicContact CG-CD1 4.47Å; L130-P850 HydrophobicContact CB-CB 3.69Å; L130-P850 HydrophobicContact CB-CG 4.32Å; L130-P850 HydrophobicContact CD1-CB 4.11Å; L130-P850 HydrophobicContact CD1-CG 4.28Å
131Y92Very high94.2Very high1 Ų125.2 Ų25.20%0.00413%0.134CC..  trans-140.7113.7178.1171.6-103000110.6L127 V128 S134 D207 H854 L865 P867 P869L127-Y131 PolarHBondContact O-N 3.06Å; V128-Y131 WeakPolarHBondContact CA-O 3.4Å; Y131-S134 WeakPolarHBondContact CE1-OG 3.39Å; Y131-D207 WeakPolarHBondContact CA-OD2 3.17Å; Y131-H854 AromaticContact CD1-CD2 3.81Å; Y131-H854 AromaticContact CD1-CE1 3.59Å; Y131-H854 AromaticContact CD1-CG 3.76Å; Y131-H854 AromaticContact CD1-ND1 3.61Å; Y131-H854 AromaticContact CD1-NE2 3.74Å; Y131-H854 AromaticContact CE1-CD2 3.8Å; Y131-H854 AromaticContact CE1-CE1 3.86Å; Y131-H854 AromaticContact CE1-NE2 3.58Å; Y131-L865 HydrophobicContact CE1-CD1 4.26Å; Y131-L865 HydrophobicContact CE2-CD1 4.16Å; Y131-L865 HydrophobicContact CE2-CD2 4.09Å; Y131-L865 HydrophobicContact CE2-CG 4.27Å; Y131-L865 WeakPolarHBondContact OH-CD1 3.45Å; Y131-P867 WeakPolarHBondContact CE2-O 3.41Å; Y131-P867 PolarHBondContact OH-O 3.31Å; Y131-P869 HydrophobicContact CD2-CG 4.37Å; Y131-P869 HydrophobicContact CE2-CG 4.31Å
132G90.8Very high94.2Very high4 Ų425.2 Ų25.24%0.04113%0.134CC..  trans-80.3-15.6-175.600000115.8S134 L135 D207G132-S134 VanDerWaalsContact C-N 3.29Å; G132-S134 PolarHBondContact O-N 3.37Å; G132-L135 WeakPolarHBondContact O-CB 3.41Å; G132-L135 PolarHBondContact O-N 2.89Å; G132-L135 VanDerWaalsContact O-N 3.11Å; G132-D207 PolarHBondContact N-OD2 2.97Å
133G90.7Very high94.2Very high15 Ų1525.1 Ų25.116%0.15513%0.133CC..THydrogen-bonded Turntrans-61-30.5-169.800000115.2
134S92.8Very high94.3Very high7 Ų727 Ų275%0.04914%0.141CC..THydrogen-bonded Turntrans-84.4-13179.4-53.60000114.3E126 Y131 G132 L136 Q137 Q138 H854E126-S134 VanDerWaalsContact OE2-CB 3.25Å; E126-S134 WeakPolarHBondContact OE2-CB 3.2Å; Y131-S134 WeakPolarHBondContact CE1-OG 3.39Å; G132-S134 VanDerWaalsContact C-N 3.29Å; G132-S134 PolarHBondContact O-N 3.37Å; S134-L136 VanDerWaalsContact C-N 3.33Å; S134-L136 PolarHBondContact O-N 3.02Å; S134-Q137 WeakPolarHBondContact O-CB 3.41Å; S134-Q137 PolarHBondContact O-N 2.76Å; S134-Q138 WeakPolarHBondContact O-CG 3.34Å; S134-Q138 PolarHBondContact O-N 3.21Å; S134-H854 PolarHBondContact OG-CE1 2.97Å; S134-H854 VanDerWaalsContact OG-CE1 3.32Å; S134-H854 PolarHBondContact OG-NE2 3.44Å
135L95.4Very high94.4Very high0 Ų024.7 Ų24.70%013%0.129CC..Hα-helixtrans-62.2-38.4-170.7-75169.7000113.3V128 G132 Q138 T139 M170 V174 L210 F213V128-L135 HydrophobicContact CB-CD2 3.78Å; V128-L135 HydrophobicContact CB-CG 4.27Å; V128-L135 HydrophobicContact CG1-CD2 4.15Å; V128-L135 HydrophobicContact CG1-CG 4.46Å; V128-L135 HydrophobicContact CG2-CD2 4.33Å; G132-L135 WeakPolarHBondContact O-CB 3.41Å; G132-L135 PolarHBondContact O-N 2.89Å; G132-L135 VanDerWaalsContact O-N 3.11Å; L135-Q138 PolarHBondContact O-N 2.97Å; L135-T139 WeakPolarHBondContact O-CB 3.47Å; L135-T139 PolarHBondContact O-N 3.19Å; L135-T139 PolarHBondContact O-OG1 3.06Å; L135-M170 HydrophobicContact CD1-CE 3.78Å; L135-M170 HydrophobicContact CD2-CE 3.59Å; L135-M170 HydrophobicContact CG-CE 4.33Å; L135-V174 HydrophobicContact CD2-CG2 3.78Å; L135-L210 HydrophobicContact CD1-CD1 3.5Å; L135-F213 HydrophobicContact CB-CD1 4.2Å; L135-F213 HydrophobicContact CB-CD2 3.75Å; L135-F213 HydrophobicContact CB-CE1 4.08Å; L135-F213 HydrophobicContact CB-CE2 3.66Å; L135-F213 HydrophobicContact CB-CG 4.01Å; L135-F213 HydrophobicContact CB-CZ 3.8Å; L135-F213 HydrophobicContact CD1-CB 4.26Å; L135-F213 HydrophobicContact CD1-CD1 3.66Å; L135-F213 HydrophobicContact CD1-CE1 4.03Å; L135-F213 HydrophobicContact CD1-CG 3.9Å; L135-F213 HydrophobicContact CD2-CE1 4.28Å; L135-F213 HydrophobicContact CD2-CZ 4.46Å; L135-F213 HydrophobicContact CG-CD1 4.42Å; L135-F213 HydrophobicContact CG-CE1 4.38Å
136L95.1Very high94.6Very high91 Ų9120.9 Ų20.948%0.47611%0.111SC..Hα-helixtrans-66.7-40176.2-175.660.5000111.1S134 T139 H140 L181S134-L136 VanDerWaalsContact C-N 3.33Å; S134-L136 PolarHBondContact O-N 3.02Å; L136-T139 WeakPolarHBondContact O-CB 3.42Å; L136-T139 PolarHBondContact O-N 3.35Å; L136-H140 PolarHBondContact O-CD2 2.94Å; L136-H140 PolarHBondContact O-N 3.34Å; L136-L181 HydrophobicContact CD1-CD2 4.16Å
137Q94.4Very high94.8Very high77 Ų7723.1 Ų23.136%0.3612%0.121SC..Hα-helixtrans-62.3-45.2176.9-161.2-175.73.600111.3Y56 Y59 S134 T139 H140 F141Y56-Q137 HydrophobicContact CD1-CG 3.59Å; Y56-Q137 HydrophobicContact CE1-CG 3.41Å; Y56-Q137 VanDerWaalsContact CE1-CG 3.41Å; Y59-Q137 HydrophobicContact CE2-CB 4.39Å; Y59-Q137 HydrophobicContact CE2-CG 3.94Å; S134-Q137 WeakPolarHBondContact O-CB 3.41Å; S134-Q137 PolarHBondContact O-N 2.76Å; Q137-T139 VanDerWaalsContact C-N 3.31Å; Q137-T139 PolarHBondContact O-N 3.1Å; Q137-H140 PolarHBondContact O-N 3.08Å; Q137-F141 PolarHBondContact O-N 3.43Å
138Q96.7Very high95.1Very high3 Ų322.4 Ų22.41%0.01412%0.118CC..Hα-helixtrans-60.2-41174.2-67.8-171.60.900111.9Y59 F123 E126 S134 L135 F141 L142 V174Y59-Q138 HydrophobicContact CE2-CG 4.15Å; Y59-Q138 WeakPolarHBondContact OH-CG 3.48Å; F123-Q138 HydrophobicContact CB-CG 4.39Å; F123-Q138 HydrophobicContact CD1-CB 3.92Å; F123-Q138 HydrophobicContact CD1-CG 3.58Å; F123-Q138 HydrophobicContact CE1-CB 3.64Å; F123-Q138 HydrophobicContact CE1-CG 3.88Å; F123-Q138 HydrophobicContact CG-CG 3.98Å; F123-Q138 HydrophobicContact CZ-CB 4.06Å; E126-Q138 PolarHBondContact OE2-NE2 3.17Å; S134-Q138 WeakPolarHBondContact O-CG 3.34Å; S134-Q138 PolarHBondContact O-N 3.21Å; L135-Q138 PolarHBondContact O-N 2.97Å; Q138-F141 PolarHBondContact O-N 3.38Å; Q138-L142 WeakPolarHBondContact O-CB 3.37Å; Q138-L142 PolarHBondContact O-N 3.18Å; Q138-V174 HydrophobicContact CB-CG1 4.22Å; Q138-V174 HydrophobicContact CB-CG2 4.45Å
139T97.8Very high95.3Very high0 Ų022.3 Ų22.30%012%0.118CC..Hα-helixtrans-63.7-43.4178-53.90000111.7L135 L136 Q137 L142 H143 A177 L178 L181L135-T139 WeakPolarHBondContact O-CB 3.47Å; L135-T139 PolarHBondContact O-N 3.19Å; L135-T139 PolarHBondContact O-OG1 3.06Å; L136-T139 WeakPolarHBondContact O-CB 3.42Å; L136-T139 PolarHBondContact O-N 3.35Å; Q137-T139 VanDerWaalsContact C-N 3.31Å; Q137-T139 PolarHBondContact O-N 3.1Å; T139-L142 PolarHBondContact O-N 2.71Å; T139-H143 PolarHBondContact O-N 3.48Å; T139-H143 VanDerWaalsContact O-N 3.15Å; T139-A177 VanDerWaalsContact CG2-C 3.49Å; T139-A177 HydrophobicContact CG2-CB 3.84Å; T139-L178 HydrophobicContact CG2-CD2 4.25Å; T139-L178 WeakPolarHBondContact O-CD2 3.26Å; T139-L181 HydrophobicContact CG2-CD1 4.02Å; T139-L181 HydrophobicContact CG2-CD2 3.97Å; T139-L181 HydrophobicContact CG2-CG 3.87Å
140H97.1Very high95.6Very high64 Ų6422.6 Ų22.630%0.29612%0.116SC..Hα-helixtrans-66.3-41.6175-79.3-74.3000112.8Y56 L136 Q137 L142 H143 E144Y56-H140 HydrophobicContact CE1-CB 4.49Å; Y56-H140 WeakPolarHBondContact OH-CB 3.47Å; L136-H140 PolarHBondContact O-CD2 2.94Å; L136-H140 PolarHBondContact O-N 3.34Å; Q137-H140 PolarHBondContact O-N 3.08Å; H140-L142 VanDerWaalsContact C-N 3.3Å; H140-L142 PolarHBondContact O-N 2.89Å; H140-H143 WeakPolarHBondContact O-CB 3.48Å; H140-H143 PolarHBondContact O-N 3.4Å; H140-E144 PolarHBondContact O-N 3.46Å; H140-E144 VanDerWaalsContact O-N 3.13Å
141F97.7Very high95.9Very high0 Ų025.7 Ų25.70%012%0.124CC..Hα-helixtrans-63.1-38.2176.7-177.3-101.1000112.1L48 V52 Y56 Y59 V121 F123 Q137 Q138 E144 S145L48-F141 HydrophobicContact CD1-CE2 3.51Å; L48-F141 HydrophobicContact CD1-CZ 3.65Å; V52-F141 HydrophobicContact CG1-CD2 4.4Å; V52-F141 HydrophobicContact CG1-CE2 4.38Å; Y56-F141 HydrophobicContact CD1-CB 4.19Å; Y56-F141 HydrophobicContact CD1-CD2 4.37Å; Y56-F141 HydrophobicContact CD2-CB 4.47Å; Y56-F141 AromaticContact CD2-CD2 3.7Å; Y56-F141 HydrophobicContact CD2-CD2 3.7Å; Y56-F141 HydrophobicContact CE1-CB 4.43Å; Y56-F141 HydrophobicContact CG-CB 4.22Å; Y56-F141 AromaticContact CG-CD2 3.61Å; Y56-F141 HydrophobicContact CG-CD2 3.61Å; Y56-F141 HydrophobicContact CG-CE2 4.45Å; Y56-F141 HydrophobicContact CG-CG 4.34Å; Y59-F141 HydrophobicContact CD2-CB 3.64Å; Y59-F141 AromaticContact CD2-CD1 3.99Å; Y59-F141 HydrophobicContact CD2-CD1 3.99Å; Y59-F141 AromaticContact CD2-CD2 3.98Å; Y59-F141 HydrophobicContact CD2-CD2 3.98Å; Y59-F141 AromaticContact CD2-CG 3.58Å; Y59-F141 HydrophobicContact CD2-CG 3.58Å; Y59-F141 HydrophobicContact CE2-CB 4.2Å; Y59-F141 HydrophobicContact CG-CD1 4.25Å; Y59-F141 HydrophobicContact CG-CD2 4.44Å; Y59-F141 HydrophobicContact CG-CG 4.19Å; V121-F141 HydrophobicContact CG1-CD1 3.82Å; V121-F141 HydrophobicContact CG1-CE1 3.66Å; V121-F141 HydrophobicContact CG2-CE1 4.5Å; F123-F141 HydrophobicContact CE1-CD1 4.05Å; Q137-F141 PolarHBondContact O-N 3.43Å; Q138-F141 PolarHBondContact O-N 3.38Å; F141-E144 PolarHBondContact O-N 3.45Å; F141-S145 WeakPolarHBondContact CE1-OG 3.45Å; F141-S145 WeakPolarHBondContact O-CB 3.45Å; F141-S145 PolarHBondContact O-N 2.88Å; F141-S145 PolarHBondContact O-OG 3.3Å
142L98Very high96.1Very high0 Ų028 Ų280%014%0.136CC..Hα-helixtrans-61-43.8174.217754.6000111.8L84 L86 Q138 T139 H140 E144 S145 I146 V174 L178L84-L142 HydrophobicContact CD2-CD1 3.39Å; L84-L142 HydrophobicContact CG-CD1 4.43Å; L86-L142 HydrophobicContact CD1-CD1 4.24Å; L86-L142 HydrophobicContact CD1-CD2 3.54Å; L86-L142 HydrophobicContact CD2-CD1 3.41Å; L86-L142 VanDerWaalsContact CD2-CD1 3.41Å; L86-L142 HydrophobicContact CD2-CD2 4.11Å; L86-L142 HydrophobicContact CD2-CG 4.34Å; L86-L142 HydrophobicContact CG-CD1 4.43Å; L86-L142 HydrophobicContact CG-CD2 4.49Å; Q138-L142 WeakPolarHBondContact O-CB 3.37Å; Q138-L142 PolarHBondContact O-N 3.18Å; T139-L142 PolarHBondContact O-N 2.71Å; H140-L142 VanDerWaalsContact C-N 3.3Å; H140-L142 PolarHBondContact O-N 2.89Å; L142-E144 VanDerWaalsContact C-N 3.34Å; L142-E144 PolarHBondContact O-N 3.02Å; L142-S145 WeakPolarHBondContact O-CB 3.3Å; L142-S145 PolarHBondContact O-N 2.91Å; L142-S145 VanDerWaalsContact O-N 3.16Å; L142-I146 HydrophobicContact CD1-CD1 4.25Å; L142-I146 HydrophobicContact CD1-CG1 4.3Å; L142-I146 HydrophobicContact CG-CD1 4.27Å; L142-I146 WeakPolarHBondContact O-CG1 3.49Å; L142-I146 PolarHBondContact O-N 3.34Å; L142-V174 HydrophobicContact CD2-CG1 3.99Å; L142-L178 HydrophobicContact CB-CD2 4.08Å; L142-L178 HydrophobicContact CD2-CD1 3.58Å; L142-L178 HydrophobicContact CD2-CD2 3.97Å; L142-L178 HydrophobicContact CD2-CG 3.72Å; L142-L178 HydrophobicContact CG-CD1 3.85Å; L142-L178 HydrophobicContact CG-CD2 3.81Å; L142-L178 HydrophobicContact CG-CG 4.07Å
143H97.7Very high96.3Very high21 Ų2127.8 Ų27.810%0.09713%0.134CC..Hα-helixtrans-59.4-43.8175.5177.8-162.5000112.1T139 H140 S145 I146 K147 L178 L181 F184T139-H143 PolarHBondContact O-N 3.48Å; T139-H143 VanDerWaalsContact O-N 3.15Å; H140-H143 WeakPolarHBondContact O-CB 3.48Å; H140-H143 PolarHBondContact O-N 3.4Å; H143-S145 VanDerWaalsContact C-N 3.33Å; H143-I146 PolarHBondContact O-N 3.43Å; H143-K147 PolarHBondContact CE1-NZ 3.4Å; H143-K147 VanDerWaalsContact CE1-NZ 3.34Å; H143-K147 WeakPolarHBondContact NE2-CE 3.12Å; H143-K147 PolarHBondContact NE2-NZ 2.84Å; H143-K147 PolarHBondContact O-N 2.72Å; H143-L178 HydrophobicContact CB-CD2 3.92Å; H143-L181 HydrophobicContact CB-CD1 3.78Å; H143-F184 AromaticContact CD2-CD2 3.66Å; H143-F184 AromaticContact CD2-CE2 3.85Å; H143-F184 AromaticContact NE2-CD2 3.76Å
144E97.3Very high96.4Very high43 Ų4334.2 Ų34.220%0.20116%0.158CC..Hα-helixtrans-68.7-32.4175.7-68.6-57126.900112.7V52 H140 F141 L142 K147 A148V52-E144 HydrophobicContact CG1-CB 3.87Å; V52-E144 HydrophobicContact CG1-CG 4.28Å; V52-E144 HydrophobicContact CG2-CB 4.16Å; V52-E144 HydrophobicContact CG2-CG 4Å; H140-E144 PolarHBondContact O-N 3.46Å; H140-E144 VanDerWaalsContact O-N 3.13Å; F141-E144 PolarHBondContact O-N 3.45Å; L142-E144 VanDerWaalsContact C-N 3.34Å; L142-E144 PolarHBondContact O-N 3.02Å; E144-K147 PolarHBondContact O-N 2.92Å; E144-K147 IonicContact OE1-NZ 3.41Å; E144-K147 PolarHBondContact OE1-NZ 3.44Å; E144-A148 WeakPolarHBondContact O-CB 3.3Å; E144-A148 PolarHBondContact O-N 3.07Å
145S98.1Very high96.3Very high0 Ų042.6 Ų42.60%020%0.196CC..Hα-helixtrans-64.5-44.9174.8-62.80000111.8F141 L142 H143 K147 A148 I149F141-S145 WeakPolarHBondContact CE1-OG 3.45Å; F141-S145 WeakPolarHBondContact O-CB 3.45Å; F141-S145 PolarHBondContact O-N 2.88Å; F141-S145 PolarHBondContact O-OG 3.3Å; L142-S145 WeakPolarHBondContact O-CB 3.3Å; L142-S145 PolarHBondContact O-N 2.91Å; L142-S145 VanDerWaalsContact O-N 3.16Å; H143-S145 VanDerWaalsContact C-N 3.33Å; S145-K147 VanDerWaalsContact C-N 3.33Å; S145-K147 PolarHBondContact O-N 2.8Å; S145-A148 WeakPolarHBondContact O-CB 3.46Å; S145-A148 PolarHBondContact O-N 2.91Å; S145-A148 VanDerWaalsContact O-N 3.11Å; S145-I149 WeakPolarHBondContact O-CG1 3.46Å; S145-I149 PolarHBondContact O-N 3.47Å
146I98.1Very high96.1Very high0 Ų044.8 Ų44.80%021%0.208CC..Hα-helixtrans-59.1-44.8175.8-68.5165.9000110.6L84 L142 H143 A148 I149 L150 V163 L165 L178 L188 V189L84-I146 HydrophobicContact CD2-CG1 4.11Å; L142-I146 HydrophobicContact CD1-CD1 4.25Å; L142-I146 HydrophobicContact CD1-CG1 4.3Å; L142-I146 HydrophobicContact CG-CD1 4.27Å; L142-I146 WeakPolarHBondContact O-CG1 3.49Å; L142-I146 PolarHBondContact O-N 3.34Å; H143-I146 PolarHBondContact O-N 3.43Å; I146-A148 VanDerWaalsContact C-N 3.32Å; I146-A148 PolarHBondContact O-N 2.85Å; I146-I149 PolarHBondContact O-N 2.99Å; I146-L150 HydrophobicContact CG2-CD1 4.05Å; I146-L150 WeakPolarHBondContact O-CG 3.18Å; I146-L150 PolarHBondContact O-N 3.43Å; I146-V163 HydrophobicContact CG2-CB 4.5Å; I146-V163 HydrophobicContact CG2-CG2 4.09Å; I146-L165 HydrophobicContact CD1-CD2 4.32Å; I146-L178 HydrophobicContact CD1-CD1 3.63Å; I146-L188 HydrophobicContact CG2-CB 4.13Å; I146-V189 HydrophobicContact CD1-CG2 3.88Å
147K96.7Very high95.7Very high62 Ų6250.6 Ų50.627%0.2723%0.229SC..Hα-helixtrans-61.6-40.1175-69.8175.8-172.6157.10112.4H143 E144 S145 R151H143-K147 PolarHBondContact CE1-NZ 3.4Å; H143-K147 VanDerWaalsContact CE1-NZ 3.34Å; H143-K147 WeakPolarHBondContact NE2-CE 3.12Å; H143-K147 PolarHBondContact NE2-NZ 2.84Å; H143-K147 PolarHBondContact O-N 2.72Å; E144-K147 PolarHBondContact O-N 2.92Å; E144-K147 IonicContact OE1-NZ 3.41Å; E144-K147 PolarHBondContact OE1-NZ 3.44Å; S145-K147 VanDerWaalsContact C-N 3.33Å; S145-K147 PolarHBondContact O-N 2.8Å; K147-R151 WeakPolarHBondContact O-CG 3.39Å; K147-R151 PolarHBondContact O-N 2.96Å; K147-R151 VanDerWaalsContact O-N 3.15Å
148A97.1Very high95.4Very high7 Ų750.7 Ų50.76%0.05824%0.235CC..Hα-helixtrans-65-43.3178.500000111.4L48 L61 E144 S145 I146 R151L48-A148 HydrophobicContact CD2-CB 3.64Å; L61-A148 HydrophobicContact CD2-CB 4.13Å; E144-A148 WeakPolarHBondContact O-CB 3.3Å; E144-A148 PolarHBondContact O-N 3.07Å; S145-A148 WeakPolarHBondContact O-CB 3.46Å; S145-A148 PolarHBondContact O-N 2.91Å; S145-A148 VanDerWaalsContact O-N 3.11Å; I146-A148 VanDerWaalsContact C-N 3.32Å; I146-A148 PolarHBondContact O-N 2.85Å; A148-R151 PolarHBondContact O-N 2.85Å
149I97.9Very high95.2Very high0 Ų053.4 Ų53.40%025%0.253CS..Hα-helixtrans-59-55.5175.5-67.5168.4000110.1L61 P82 L84 F119 S145 I146 R151 L152 Y153 V163L61-I149 HydrophobicContact CD1-CD1 4.21Å; L61-I149 HydrophobicContact CD1-CG1 4.45Å; L61-I149 HydrophobicContact CD2-CG1 3.95Å; P82-I149 HydrophobicContact CB-CG2 3.83Å; L84-I149 HydrophobicContact CB-CD1 4.16Å; L84-I149 HydrophobicContact CD1-CD1 4.03Å; L84-I149 HydrophobicContact CD2-CD1 3.91Å; L84-I149 HydrophobicContact CG-CD1 4.25Å; F119-I149 HydrophobicContact CB-CD1 3.97Å; F119-I149 HydrophobicContact CD1-CD1 4.34Å; F119-I149 HydrophobicContact CD1-CG1 4.08Å; F119-I149 HydrophobicContact CD2-CD1 4.1Å; F119-I149 HydrophobicContact CD2-CG1 4.28Å; F119-I149 HydrophobicContact CD2-CG2 4.11Å; F119-I149 HydrophobicContact CE1-CG1 4.22Å; F119-I149 HydrophobicContact CE2-CG1 4.43Å; F119-I149 HydrophobicContact CE2-CG2 3.73Å; F119-I149 HydrophobicContact CG-CD1 3.9Å; F119-I149 HydrophobicContact CG-CG1 4.08Å; F119-I149 HydrophobicContact CZ-CG1 4.37Å; F119-I149 HydrophobicContact CZ-CG2 4.02Å; S145-I149 WeakPolarHBondContact O-CG1 3.46Å; S145-I149 PolarHBondContact O-N 3.47Å; I146-I149 PolarHBondContact O-N 2.99Å; I149-R151 PolarHBondContact O-N 2.62Å; I149-R151 VanDerWaalsContact O-N 3.13Å; I149-L152 VanDerWaalsContact O-CB 3.3Å; I149-L152 WeakPolarHBondContact O-CB 3.35Å; I149-L152 PolarHBondContact O-N 3.2Å; I149-Y153 HydrophobicContact CG2-CE2 3.97Å; I149-Y153 VanDerWaalsContact O-CD2 3.25Å; I149-Y153 WeakPolarHBondContact O-CD2 3.38Å; I149-V163 HydrophobicContact CB-CG2 4.47Å; I149-V163 HydrophobicContact CD1-CG1 4.49Å; I149-V163 HydrophobicContact CG2-CG2 4.01Å
150L96.8Very high95Very high27 Ų2754 Ų5414%0.14126%0.257CS..Hα-helixtrans-61.2-27.5-177-66.1175.1000113I146 L152 Y153 P160 V163 L188I146-L150 HydrophobicContact CG2-CD1 4.05Å; I146-L150 WeakPolarHBondContact O-CG 3.18Å; I146-L150 PolarHBondContact O-N 3.43Å; L150-L152 VanDerWaalsContact C-N 3.3Å; L150-L152 PolarHBondContact O-N 2.98Å; L150-Y153 PolarHBondContact O-N 2.82Å; L150-P160 HydrophobicContact CD2-CB 4.4Å; L150-P160 HydrophobicContact CD2-CG 4.4Å; L150-P160 WeakPolarHBondContact CD2-O 3.43Å; L150-V163 HydrophobicContact CD2-CG2 3.72Å; L150-V163 HydrophobicContact CG-CG2 3.93Å; L150-L188 HydrophobicContact CD1-CD2 3.68Å
151R95.8Very high94.8Very high118 Ų11857.8 Ų57.845%0.44527%0.274SS..Hα-helixtrans-65.7-30173.9-77170-170.7167.75.1113.3P49 K147 A148 I149 Y153 K154P49-R151 VanDerWaalsContact CG-NH1 3.32Å; K147-R151 WeakPolarHBondContact O-CG 3.39Å; K147-R151 PolarHBondContact O-N 2.96Å; K147-R151 VanDerWaalsContact O-N 3.15Å; A148-R151 PolarHBondContact O-N 2.85Å; I149-R151 PolarHBondContact O-N 2.62Å; I149-R151 VanDerWaalsContact O-N 3.13Å; R151-Y153 PolarHBondContact O-N 3.32Å; R151-K154 PolarHBondContact O-N 2.87Å
152L96.1Very high94.7Very high48 Ų4858.2 Ų58.225%0.25128%0.277SS..Hα-helixtrans-64.4-25.4178.7-61.3175000112.1V46 L76 L78 F119 I149 L150V46-L152 HydrophobicContact CG1-CD1 4.15Å; L76-L152 HydrophobicContact CB-CD2 4.29Å; L78-L152 HydrophobicContact CD1-CD1 4.01Å; F119-L152 HydrophobicContact CE1-CD1 3.96Å; F119-L152 HydrophobicContact CZ-CD1 4.03Å; I149-L152 VanDerWaalsContact O-CB 3.3Å; I149-L152 WeakPolarHBondContact O-CB 3.35Å; I149-L152 PolarHBondContact O-N 3.2Å; L150-L152 VanDerWaalsContact C-N 3.3Å; L150-L152 PolarHBondContact O-N 2.98Å
153Y95.8Very high94.7Very high1 Ų158.2 Ų58.20%0.00428%0.277CS..THydrogen-bonded Turntrans-97.90.3-174.9-62.2-91.9000114.7L78 G80 P82 N117 F119 I149 L150 R151 Q155 L156 P160L78-Y153 HydrophobicContact CB-CD1 4.49Å; L78-Y153 HydrophobicContact CB-CE1 3.73Å; G80-Y153 WeakPolarHBondContact O-CE1 3.44Å; P82-Y153 HydrophobicContact CB-CE2 4.14Å; N117-Y153 WeakPolarHBondContact CB-OH 3.31Å; N117-Y153 VanDerWaalsContact CG-OH 3.28Å; N117-Y153 PolarHBondContact OD1-OH 3.16Å; F119-Y153 HydrophobicContact CE2-CE2 4.38Å; F119-Y153 HydrophobicContact CZ-CE2 4.38Å; I149-Y153 HydrophobicContact CG2-CE2 3.97Å; I149-Y153 VanDerWaalsContact O-CD2 3.25Å; I149-Y153 WeakPolarHBondContact O-CD2 3.38Å; L150-Y153 PolarHBondContact O-N 2.82Å; R151-Y153 PolarHBondContact O-N 3.32Å; Y153-Q155 PolarHBondContact O-N 2.94Å; Y153-L156 HydrophobicContact CD1-CD1 3.65Å; Y153-L156 HydrophobicContact CD1-CG 4.46Å; Y153-L156 HydrophobicContact CG-CD1 4.47Å; Y153-L156 WeakPolarHBondContact O-CB 3.44Å; Y153-L156 PolarHBondContact O-N 2.82Å; Y153-P160 HydrophobicContact CD1-CG 3.97Å; Y153-P160 HydrophobicContact CD2-CG 3.99Å; Y153-P160 HydrophobicContact CG-CG 3.65Å
154K93.2Very high94.7Very high150 Ų15057.2 Ų57.265%0.65227%0.273SS*.THydrogen-bonded Turntrans-56.6-23-176-78.5-175.6171.4-165.70114.9R151 L156R151-K154 PolarHBondContact O-N 2.87Å; K154-L156 VanDerWaalsContact C-N 3.34Å
155Q89.9Confident94.8Very high183 Ų18355.2 Ų55.286%0.85526%0.264SS*.THydrogen-bonded Turntrans-84.8-7.8-178.9-57.2-62.3-9.800113.2Y153Y153-Q155 PolarHBondContact O-N 2.94Å
156L90.1Very high94.8Very high46 Ų4655.2 Ų55.224%0.24126%0.264CS..SBendtrans-74.7149.2175.9-61.5-171000110.9T79 Y153 K154 T158T79-L156 HydrophobicContact CG2-CD2 4.03Å; Y153-L156 HydrophobicContact CD1-CD1 3.65Å; Y153-L156 HydrophobicContact CD1-CG 4.46Å; Y153-L156 HydrophobicContact CG-CD1 4.47Å; Y153-L156 WeakPolarHBondContact O-CB 3.44Å; Y153-L156 PolarHBondContact O-N 2.82Å; K154-L156 VanDerWaalsContact C-N 3.34Å; L156-T158 VanDerWaalsContact C-N 3.26Å; L156-T158 PolarHBondContact O-N 3.33Å
157K87.4Confident94.8Very high212 Ų21255.2 Ų55.292%0.92226%0.264SS*.SBendtrans-58.9-40173.7-65.1-175.2179.4-177.60111.9
158T88.9Confident94.9Very high79 Ų7952.4 Ų52.449%0.48525%0.252SS..SBendtrans-125.382.2178.450.40000109.2L156L156-T158 VanDerWaalsContact C-N 3.26Å; L156-T158 PolarHBondContact O-N 3.33Å
159P91.8Very high94.9Very high60 Ų6052.3 Ų52.339%0.3925%0.251SS..  trans-70.1142.8-177.929-33.8000110.9Q161P159-Q161 PolarHBondContact O-N 3.28Å
160P94.3Very high94.9Very high13 Ų1352.4 Ų52.48%0.08425%0.251CS..  trans-58.4136.8169.422.4-29.5000110.5P82 L150 Y153 Q305P82-P160 HydrophobicContact CG-CB 3.93Å; P82-P160 HydrophobicContact CG-CG 3.97Å; L150-P160 HydrophobicContact CD2-CB 4.4Å; L150-P160 HydrophobicContact CD2-CG 4.4Å; L150-P160 WeakPolarHBondContact CD2-O 3.43Å; Y153-P160 HydrophobicContact CD1-CG 3.97Å; Y153-P160 HydrophobicContact CD2-CG 3.99Å; Y153-P160 HydrophobicContact CG-CG 3.65Å; P160-Q305 HydrophobicContact CB-CG 4.29Å
161Q93Very high94.9Very high143 Ų14351.1 Ų51.167%0.66824%0.244SC*.SBendtrans-93.6-19.5174.3-60.4-1693.900112.6P159P159-Q161 PolarHBondContact O-N 3.28Å
162S95.4Very high95Very high9 Ų945.5 Ų45.56%0.06322%0.223CC..  trans-133.5159.8-176.1680000112.3H187 L188 S190S162-H187 WeakPolarHBondContact CB-O 3.15Å; S162-L188 CarbonylContact C-O 3.55Å; S162-L188 VanDerWaalsContact CA-O 3.25Å; S162-L188 WeakPolarHBondContact CA-O 3.4Å; S162-S190 PolarHBondContact OG-OG 2.88Å
163V97.8Very high95.1Very high0 Ų043.3 Ų43.30%021%0.212CC..  trans-118.8132.3173.9-178.50000108.7P82 L84 I146 I149 L150 L165 L188P82-V163 HydrophobicContact CB-CG1 4.37Å; P82-V163 HydrophobicContact CB-CG2 4.34Å; P82-V163 HydrophobicContact CG-CG2 4.27Å; L84-V163 HydrophobicContact CB-CG1 3.72Å; I146-V163 HydrophobicContact CG2-CB 4.5Å; I146-V163 HydrophobicContact CG2-CG2 4.09Å; I149-V163 HydrophobicContact CB-CG2 4.47Å; I149-V163 HydrophobicContact CD1-CG1 4.49Å; I149-V163 HydrophobicContact CG2-CG2 4.01Å; L150-V163 HydrophobicContact CD2-CG2 3.72Å; L150-V163 HydrophobicContact CG-CG2 3.93Å; V163-L165 HydrophobicContact CG1-CD2 4.3Å; V163-L188 PolarHBondContact N-O 2.92Å
164V98.3Very high95.2Very high1 Ų143.3 Ų43.31%0.00621%0.212CC..EExtended strand (participates in β ladder)trans-79.2131.5174.1174.20000109.5P82 V83 L84 L191 F295 F306P82-V164 PolarHBondContact O-N 3.23Å; V83-V164 CarbonylContact C-O 3.33Å; V83-V164 WeakPolarHBondContact CA-O 3.49Å; V83-V164 HydrophobicContact CG2-CB 4.4Å; L84-V164 PolarHBondContact N-O 2.71Å; V164-L191 HydrophobicContact CG1-CB 4.16Å; V164-L191 HydrophobicContact CG1-CD2 3.95Å; V164-L191 HydrophobicContact CG1-CG 4.04Å; V164-L191 HydrophobicContact CG2-CB 4.14Å; V164-L191 HydrophobicContact CG2-CD2 4.47Å; V164-F295 HydrophobicContact CG1-CE1 3.8Å; V164-F295 HydrophobicContact CG1-CZ 4.1Å; V164-F306 HydrophobicContact CB-CD2 4.32Å; V164-F306 HydrophobicContact CB-CE2 4.01Å; V164-F306 HydrophobicContact CB-CZ 4.24Å; V164-F306 HydrophobicContact CG2-CB 4.27Å; V164-F306 HydrophobicContact CG2-CD1 3.88Å; V164-F306 HydrophobicContact CG2-CD2 3.37Å; V164-F306 HydrophobicContact CG2-CE1 4Å; V164-F306 HydrophobicContact CG2-CE2 3.51Å; V164-F306 HydrophobicContact CG2-CG 3.56Å; V164-F306 HydrophobicContact CG2-CZ 3.83Å
165L98.7Very high95.4Very high0 Ų036.1 Ų36.10%018%0.181CC..EExtended strand (participates in β ladder)trans-103.7133.7-178.8-56.5-174.4000111.4L84 I146 V163 A175 L178 V189 L191 I192 I193L84-L165 HydrophobicContact CB-CD2 3.88Å; L84-L165 HydrophobicContact CD2-CD2 4.05Å; L84-L165 HydrophobicContact CG-CD2 4.27Å; L84-L165 WeakPolarHBondContact O-CA 3.35Å; I146-L165 HydrophobicContact CD1-CD2 4.32Å; V163-L165 HydrophobicContact CG1-CD2 4.3Å; L165-A175 HydrophobicContact CB-CB 4.49Å; L165-A175 HydrophobicContact CD1-CB 3.89Å; L165-L178 HydrophobicContact CD1-CD1 3.68Å; L165-V189 HydrophobicContact CD1-CG1 3.83Å; L165-V189 HydrophobicContact CD1-CG2 3.9Å; L165-V189 HydrophobicContact CG-CG1 3.87Å; L165-V189 HydrophobicContact CG-CG2 4.19Å; L165-L191 PolarHBondContact N-O 3.47Å; L165-I192 HydrophobicContact CB-CG1 4.37Å; L165-I192 HydrophobicContact CB-CG2 4.38Å; L165-I192 HydrophobicContact CD1-CG1 4.49Å; L165-I192 WeakPolarHBondContact O-CA 3.35Å; L165-I193 PolarHBondContact O-N 3.39Å
166V98.7Very high95.7Very high1 Ų127.5 Ų27.51%0.00614%0.14CC..EExtended strand (participates in β ladder)trans-118.2110.5168.6-176.30000108.7V83 L84 F85 L86 L99 I193 F295V83-V166 HydrophobicContact CG1-CG2 3.9Å; L84-V166 PolarHBondContact O-N 3.39Å; F85-V166 CarbonylContact C-O 3.51Å; F85-V166 VanDerWaalsContact CA-O 3.3Å; F85-V166 WeakPolarHBondContact CA-O 3.46Å; F85-V166 HydrophobicContact CD2-CB 4.15Å; F85-V166 HydrophobicContact CD2-CG1 3.94Å; F85-V166 HydrophobicContact CE2-CG1 4.32Å; L86-V166 PolarHBondContact N-O 3.33Å; L99-V166 HydrophobicContact CD2-CB 4.42Å; L99-V166 HydrophobicContact CD2-CG1 4.42Å; L99-V166 HydrophobicContact CD2-CG2 4.13Å; V166-I193 CarbonylContact C-O 3.58Å; V166-I193 VanDerWaalsContact CA-O 3.26Å; V166-I193 WeakPolarHBondContact CA-O 3.22Å; V166-F295 HydrophobicContact CG2-CE2 4.05Å; V166-F295 HydrophobicContact CG2-CZ 3.58Å
167G98.3Very high96Very high0 Ų025.3 Ų25.30%013%0.128CC..EExtended strand (participates in β ladder)trans-109.8129.8-178.500000112.5I193 T194 Q195G167-I193 PolarHBondContact N-O 3.45Å; G167-T194 CarbonylContact O-C 3.57Å; G167-T194 VanDerWaalsContact O-CA 3.26Å; G167-T194 WeakPolarHBondContact O-CA 3.2Å; G167-Q195 PolarHBondContact O-N 3.04Å
168H98.1Very high96.5Very high3 Ų315.2 Ų15.21%0.0149%0.085CC..EExtended strand (participates in β ladder)trans-100.9135.8170.6173.1-116.9000110.5F85 L86 G88 M170 G171 Q195 H278 V282F85-H168 HydrophobicContact CE2-CB 4.29Å; F85-H168 HydrophobicContact CZ-CB 3.99Å; L86-H168 PolarHBondContact O-N 2.89Å; G88-H168 VanDerWaalsContact CA-O 3.25Å; G88-H168 WeakPolarHBondContact CA-O 3.45Å; G88-H168 PolarHBondContact N-O 3.11Å; H168-M170 PolarHBondContact O-N 3.01Å; H168-G171 WeakPolarHBondContact O-CA 3.43Å; H168-G171 PolarHBondContact O-N 3.03Å; H168-Q195 WeakPolarHBondContact CA-O 3.17Å; H168-Q195 PolarHBondContact CD2-O 3Å; H168-H278 AromaticContact CE1-NE2 3.99Å; H168-H278 AromaticContact NE2-NE2 3.97Å; H168-H278 PolarHBondContact NE2-O 2.75Å; H168-V282 HydrophobicContact CB-CG1 3.82Å; H168-V282 WeakPolarHBondContact CD2-CG1 3.43Å; H168-V282 VanDerWaalsContact CG-CG1 3.43Å
169S97Very high96.8Very high5 Ų511.7 Ų11.74%0.0356%0.063CC..THydrogen-bonded Turntrans52-128.3174.9-1710000111.1G171 G172 Q195 A196 S197 H278S169-G171 PolarHBondContact O-N 3.08Å; S169-G172 PolarHBondContact O-N 3.31Å; S169-Q195 PolarHBondContact N-O 3.41Å; S169-A196 WeakPolarHBondContact CA-O 3.32Å; S169-S197 PolarHBondContact N-OG 2.97Å; S169-S197 WeakPolarHBondContact O-CA 3.49Å; S169-S197 WeakPolarHBondContact O-CB 3.47Å; S169-S197 PolarHBondContact O-OG 3Å; S169-H278 VanDerWaalsContact CB-NE2 3.3Å; S169-H278 WeakPolarHBondContact CB-NE2 3.23Å; S169-H278 PolarHBondContact OG-CE1 2.77Å; S169-H278 PolarHBondContact OG-NE2 2.78Å
170M96.9Very high97Very high2 Ų210.8 Ų10.81%0.016%0.056CC..Hα-helixtrans-58.5-26.4176.2-70.3-58.7-63.900114.5N89 V128 A129 L135 H168 G172 V173 V174 P198 L210 Y214N89-M170 HydrophobicContact CB-CG 4.32Å; V128-M170 HydrophobicContact CG2-CB 3.62Å; V128-M170 HydrophobicContact CG2-CG 3.95Å; A129-M170 HydrophobicContact CB-CG 3.96Å; L135-M170 HydrophobicContact CD1-CE 3.78Å; L135-M170 HydrophobicContact CD2-CE 3.59Å; L135-M170 HydrophobicContact CG-CE 4.33Å; H168-M170 PolarHBondContact O-N 3.01Å; M170-G172 VanDerWaalsContact C-N 3.25Å; M170-G172 PolarHBondContact O-N 3.44Å; M170-V173 HydrophobicContact CE-CB 4.49Å; M170-V173 WeakPolarHBondContact O-CB 3.17Å; M170-V173 PolarHBondContact O-N 3.14Å; M170-V173 HydrophobicContact SD-CG2 4.28Å; M170-V174 WeakPolarHBondContact O-CG2 3.44Å; M170-V174 PolarHBondContact O-N 3.32Å; M170-P198 HydrophobicContact SD-CG 4.16Å; M170-L210 HydrophobicContact CE-CD1 4.1Å; M170-Y214 HydrophobicContact CE-CE2 3.98Å; M170-Y214 HydrophobicContact SD-CE2 4.46Å; M170-Y214 PolarHBondContact SD-OH 3.39Å
171G97.6Very high97.1Very high0 Ų010.7 Ų10.70%06%0.055CC..Hα-helixtrans-60.9-32.5176.100000113.2L86 P87 H168 S169 V174 A175L86-G171 WeakPolarHBondContact CD1-O 3.44Å; P87-G171 WeakPolarHBondContact O-CA 3.22Å; P87-G171 PolarHBondContact O-N 3.4Å; H168-G171 WeakPolarHBondContact O-CA 3.43Å; H168-G171 PolarHBondContact O-N 3.03Å; S169-G171 PolarHBondContact O-N 3.08Å; G171-V174 PolarHBondContact O-N 3.41Å; G171-A175 PolarHBondContact O-N 3.29Å
172G97.5Very high96.9Very high0 Ų08.9 Ų8.90%06%0.056CC..Hα-helixtrans-73-29.9173.100000113.7S169 M170 R176 S197S169-G172 PolarHBondContact O-N 3.31Å; M170-G172 VanDerWaalsContact C-N 3.25Å; M170-G172 PolarHBondContact O-N 3.44Å; G172-R176 PolarHBondContact O-N 3.44Å; G172-S197 WeakPolarHBondContact CA-OG 3.12Å
173V97.6Very high96.5Very high2 Ų220.3 Ų20.31%0.01210%0.097CC..Hα-helixtrans-70.2-42.8172.5-169.80000109.7M170 A175 R176 A177 P198 F213 Y214M170-V173 HydrophobicContact CE-CB 4.49Å; M170-V173 WeakPolarHBondContact O-CB 3.17Å; M170-V173 PolarHBondContact O-N 3.14Å; M170-V173 HydrophobicContact SD-CG2 4.28Å; V173-A175 VanDerWaalsContact C-N 3.35Å; V173-A175 PolarHBondContact O-N 3.08Å; V173-R176 PolarHBondContact O-N 3.48Å; V173-R176 VanDerWaalsContact O-N 3.15Å; V173-A177 PolarHBondContact O-N 3.11Å; V173-P198 HydrophobicContact CG2-CG 4.43Å; V173-P198 WeakPolarHBondContact CG2-O 3.41Å; V173-F213 HydrophobicContact CG1-CD1 4.44Å; V173-F213 HydrophobicContact CG1-CE1 3.91Å; V173-Y214 HydrophobicContact CG1-CE1 4.41Å; V173-Y214 HydrophobicContact CG1-CE2 4.33Å
174V98.1Very high96.3Very high0 Ų021.2 Ų21.20%010%0.101CC..Hα-helixtrans-60.7-40.3173.9174.20000111.7F123 L135 Q138 L142 M170 G171 R176 A177 L178F123-V174 HydrophobicContact CZ-CG1 4.48Å; L135-V174 HydrophobicContact CD2-CG2 3.78Å; Q138-V174 HydrophobicContact CB-CG1 4.22Å; Q138-V174 HydrophobicContact CB-CG2 4.45Å; L142-V174 HydrophobicContact CD2-CG1 3.99Å; M170-V174 WeakPolarHBondContact O-CG2 3.44Å; M170-V174 PolarHBondContact O-N 3.32Å; G171-V174 PolarHBondContact O-N 3.41Å; V174-R176 VanDerWaalsContact C-N 3.3Å; V174-R176 PolarHBondContact O-N 3.07Å; V174-A177 WeakPolarHBondContact O-CB 3.1Å; V174-A177 PolarHBondContact O-N 2.89Å; V174-A177 VanDerWaalsContact O-N 3.08Å; V174-L178 PolarHBondContact O-N 3.2Å
175A97.9Very high96.1Very high0 Ų024.9 Ų24.90%012%0.121CC..Hα-helixtrans-56.5-43.5173.300000112.4L86 L165 G171 V173 A177 L178 I192L86-A175 HydrophobicContact CD1-CB 3.72Å; L165-A175 HydrophobicContact CB-CB 4.49Å; L165-A175 HydrophobicContact CD1-CB 3.89Å; G171-A175 PolarHBondContact O-N 3.29Å; V173-A175 VanDerWaalsContact C-N 3.35Å; V173-A175 PolarHBondContact O-N 3.08Å; A175-A177 VanDerWaalsContact C-N 3.33Å; A175-L178 WeakPolarHBondContact O-CB 3.18Å; A175-L178 PolarHBondContact O-N 3.37Å; A175-I192 HydrophobicContact CB-CG2 4.02Å
176R96.6Very high95.8Very high1 Ų127 Ų270%0.00414%0.135CC..Hα-helixtrans-71.8-28.6176.5-75.7-178.867.2-147.2-2112.6G172 V173 V174 L178 F179 H199 V217 W221G172-R176 PolarHBondContact O-N 3.44Å; V173-R176 PolarHBondContact O-N 3.48Å; V173-R176 VanDerWaalsContact O-N 3.15Å; V174-R176 VanDerWaalsContact C-N 3.3Å; V174-R176 PolarHBondContact O-N 3.07Å; R176-L178 PolarHBondContact O-N 3.29Å; R176-F179 WeakPolarHBondContact O-CD2 3.47Å; R176-H199 WeakPolarHBondContact CD-CE1 3.36Å; R176-H199 VanDerWaalsContact CD-ND1 3.29Å; R176-H199 WeakPolarHBondContact CD-ND1 3.27Å; R176-H199 VanDerWaalsContact NH1-CB 3.3Å; R176-H199 VanDerWaalsContact NH1-CG 3.33Å; R176-H199 PolarHBondContact NH1-ND1 2.99Å; R176-V217 HydrophobicContact CB-CG1 4.05Å; R176-W221 HydrophobicContact CB-CZ2 4.01Å; R176-W221 HydrophobicContact CG-CZ2 3.83Å; R176-W221 PolarHBondContact O-NE1 2.81Å
177A97Very high95.4Very high0 Ų033.3 Ų33.30%016%0.164CC..Hα-helixtrans-68.7-19.8176.700000113.6T139 V173 V174 A175 F179 T180 F213 V217T139-A177 VanDerWaalsContact CG2-C 3.49Å; T139-A177 HydrophobicContact CG2-CB 3.84Å; V173-A177 PolarHBondContact O-N 3.11Å; V174-A177 WeakPolarHBondContact O-CB 3.1Å; V174-A177 PolarHBondContact O-N 2.89Å; V174-A177 VanDerWaalsContact O-N 3.08Å; A175-A177 VanDerWaalsContact C-N 3.33Å; A177-F179 PolarHBondContact O-N 3.23Å; A177-T180 WeakPolarHBondContact O-CB 3.5Å; A177-T180 PolarHBondContact O-N 2.85Å; A177-T180 PolarHBondContact O-OG1 2.88Å; A177-F213 HydrophobicContact CB-CE1 3.97Å; A177-F213 HydrophobicContact CB-CE2 3.75Å; A177-F213 HydrophobicContact CB-CZ 3.2Å; A177-V217 HydrophobicContact CB-CG2 3.69Å
178L97Very high95.3Very high0 Ų034.8 Ų34.80%017%0.171CC..G310 helixtrans-50.3-35.8174.2-76.7172.1000113.5T139 L142 H143 I146 L165 V174 A175 R176 T180 L181 F184 V189T139-L178 HydrophobicContact CG2-CD2 4.25Å; T139-L178 WeakPolarHBondContact O-CD2 3.26Å; L142-L178 HydrophobicContact CB-CD2 4.08Å; L142-L178 HydrophobicContact CD2-CD1 3.58Å; L142-L178 HydrophobicContact CD2-CD2 3.97Å; L142-L178 HydrophobicContact CD2-CG 3.72Å; L142-L178 HydrophobicContact CG-CD1 3.85Å; L142-L178 HydrophobicContact CG-CD2 3.81Å; L142-L178 HydrophobicContact CG-CG 4.07Å; H143-L178 HydrophobicContact CB-CD2 3.92Å; I146-L178 HydrophobicContact CD1-CD1 3.63Å; L165-L178 HydrophobicContact CD1-CD1 3.68Å; V174-L178 PolarHBondContact O-N 3.2Å; A175-L178 WeakPolarHBondContact O-CB 3.18Å; A175-L178 PolarHBondContact O-N 3.37Å; R176-L178 PolarHBondContact O-N 3.29Å; L178-T180 VanDerWaalsContact C-N 3.25Å; L178-T180 PolarHBondContact O-N 2.65Å; L178-L181 HydrophobicContact CD2-CD1 4.32Å; L178-L181 WeakPolarHBondContact O-CB 3.09Å; L178-L181 PolarHBondContact O-N 3.24Å; L178-F184 HydrophobicContact CB-CE1 4.11Å; L178-F184 HydrophobicContact CB-CE2 4.26Å; L178-F184 HydrophobicContact CB-CZ 3.97Å; L178-F184 HydrophobicContact CD1-CZ 4.27Å; L178-F184 HydrophobicContact CD2-CE2 4.25Å; L178-F184 WeakPolarHBondContact O-CB 3.26Å; L178-F184 WeakPolarHBondContact O-CD1 3.2Å; L178-F184 WeakPolarHBondContact O-CG 3.24Å; L178-V189 HydrophobicContact CD1-CG2 4.39Å
179F95.4Very high95.2Very high5 Ų534.7 Ų34.72%0.02217%0.171CC..G310 helixtrans-75.4-13.4-177.8-59.9-88000113.3R176 A177 L181 F184 P186 V189 I192 K220 W221 L228 I231R176-F179 WeakPolarHBondContact O-CD2 3.47Å; A177-F179 PolarHBondContact O-N 3.23Å; F179-L181 VanDerWaalsContact C-N 3.34Å; F179-F184 HydrophobicContact CD1-CD1 4.04Å; F179-F184 AromaticContact CD1-CE1 3.85Å; F179-F184 HydrophobicContact CD1-CE1 3.85Å; F179-F184 HydrophobicContact CE1-CD1 4.29Å; F179-F184 AromaticContact CE1-CE1 3.67Å; F179-F184 HydrophobicContact CE1-CE1 3.67Å; F179-F184 HydrophobicContact CG-CD1 4.49Å; F179-F184 HydrophobicContact CG-CE1 4.37Å; F179-F184 HydrophobicContact CZ-CE1 4.07Å; F179-P186 HydrophobicContact CD1-CB 4.18Å; F179-P186 HydrophobicContact CE1-CB 3.9Å; F179-V189 HydrophobicContact CZ-CB 4.17Å; F179-V189 HydrophobicContact CZ-CG1 4.4Å; F179-I192 HydrophobicContact CE2-CD1 3.8Å; F179-I192 HydrophobicContact CZ-CD1 4.34Å; F179-K220 HydrophobicContact CB-CG 4.25Å; F179-K220 WeakPolarHBondContact O-CD 3.37Å; F179-K220 WeakPolarHBondContact O-CE 3.34Å; F179-K220 PolarHBondContact O-NZ 3.4Å; F179-W221 HydrophobicContact CD2-CH2 4Å; F179-W221 AromaticContact CD2-CZ2 3.3Å; F179-W221 HydrophobicContact CD2-CZ2 3.3Å; F179-W221 AromaticContact CE2-CH2 3.98Å; F179-W221 HydrophobicContact CE2-CH2 3.98Å; F179-W221 AromaticContact CE2-CZ2 3.63Å; F179-W221 HydrophobicContact CE2-CZ2 3.63Å; F179-W221 AromaticContact CG-CZ2 3.95Å; F179-W221 HydrophobicContact CG-CZ2 3.95Å; F179-W221 HydrophobicContact CZ-CH2 4.47Å; F179-W221 HydrophobicContact CZ-CZ2 4.49Å; F179-L228 HydrophobicContact CB-CD2 4.45Å; F179-L228 HydrophobicContact CD1-CD2 3.59Å; F179-L228 HydrophobicContact CE1-CD2 4.21Å; F179-L228 HydrophobicContact CG-CD2 4.2Å; F179-I231 HydrophobicContact CD1-CD1 3.85Å; F179-I231 HydrophobicContact CE1-CD1 3.09Å; F179-I231 HydrophobicContact CE1-CG1 4.49Å; F179-I231 HydrophobicContact CZ-CD1 3.49Å; F179-I231 VanDerWaalsContact CZ-CD1 3.49Å; F179-I231 HydrophobicContact CZ-CG2 4.4Å
180T95.6Very high95.1Very high42 Ų4235 Ų3526%0.25817%0.173SC..G310 helixtrans-80.1-20.7173.173.40000111.6A177 L178 V217 K220A177-T180 WeakPolarHBondContact O-CB 3.5Å; A177-T180 PolarHBondContact O-N 2.85Å; A177-T180 PolarHBondContact O-OG1 2.88Å; L178-T180 VanDerWaalsContact C-N 3.25Å; L178-T180 PolarHBondContact O-N 2.65Å; T180-V217 HydrophobicContact CG2-CG2 4.11Å; T180-K220 HydrophobicContact CG2-CB 3.91Å; T180-K220 HydrophobicContact CG2-CG 4.25Å
181L95.6Very high95.1Very high10 Ų1035 Ų355%0.05217%0.173CC..SBendtrans-63138.9-178.6-64.7-174.9000111.7L136 T139 H143 L178 F179 R183 F184L136-L181 HydrophobicContact CD1-CD2 4.16Å; T139-L181 HydrophobicContact CG2-CD1 4.02Å; T139-L181 HydrophobicContact CG2-CD2 3.97Å; T139-L181 HydrophobicContact CG2-CG 3.87Å; H143-L181 HydrophobicContact CB-CD1 3.78Å; L178-L181 HydrophobicContact CD2-CD1 4.32Å; L178-L181 WeakPolarHBondContact O-CB 3.09Å; L178-L181 PolarHBondContact O-N 3.24Å; F179-L181 VanDerWaalsContact C-N 3.34Å; L181-R183 PolarHBondContact O-N 3.35Å; L181-F184 HydrophobicContact CB-CB 4.09Å; L181-F184 PolarHBondContact O-N 3.02Å
182P90.2Very high95.2Very high106 Ų10635 Ų3569%0.68817%0.173SC*.THydrogen-bonded Turntrans-64.9136175.727.9-33.7000110F184P182-F184 PolarHBondContact O-N 3.19Å
183R86.1Confident95.2Very high248 Ų24835 Ų3594%0.93617%0.173SC*.THydrogen-bonded Turntrans60.519.9178.4-49.3177.9-177.7177.7-0.1114.8L181L181-R183 PolarHBondContact O-N 3.35Å
184F93.8Very high95.2Very high20 Ų2034.9 Ų34.99%0.08817%0.173CC..  trans-68.7132.3168.3-178.7-104.9000110.1H143 L178 F179 L181 P182 P186 L188 V189H143-F184 AromaticContact CD2-CD2 3.66Å; H143-F184 AromaticContact CD2-CE2 3.85Å; H143-F184 AromaticContact NE2-CD2 3.76Å; L178-F184 HydrophobicContact CB-CE1 4.11Å; L178-F184 HydrophobicContact CB-CE2 4.26Å; L178-F184 HydrophobicContact CB-CZ 3.97Å; L178-F184 HydrophobicContact CD1-CZ 4.27Å; L178-F184 HydrophobicContact CD2-CE2 4.25Å; L178-F184 WeakPolarHBondContact O-CB 3.26Å; L178-F184 WeakPolarHBondContact O-CD1 3.2Å; L178-F184 WeakPolarHBondContact O-CG 3.24Å; F179-F184 HydrophobicContact CD1-CD1 4.04Å; F179-F184 AromaticContact CD1-CE1 3.85Å; F179-F184 HydrophobicContact CD1-CE1 3.85Å; F179-F184 HydrophobicContact CE1-CD1 4.29Å; F179-F184 AromaticContact CE1-CE1 3.67Å; F179-F184 HydrophobicContact CE1-CE1 3.67Å; F179-F184 HydrophobicContact CG-CD1 4.49Å; F179-F184 HydrophobicContact CG-CE1 4.37Å; F179-F184 HydrophobicContact CZ-CE1 4.07Å; L181-F184 HydrophobicContact CB-CB 4.09Å; L181-F184 PolarHBondContact O-N 3.02Å; P182-F184 PolarHBondContact O-N 3.19Å; F184-P186 WeakPolarHBondContact O-CD 3.46Å; F184-L188 HydrophobicContact CE2-CD1 4.18Å; F184-L188 HydrophobicContact CZ-CB 4.35Å; F184-V189 HydrophobicContact CZ-CG2 4.2Å
185N93.5Very high95.2Very high77 Ų7735.3 Ų35.341%0.41218%0.175SC..  trans-87.2113.2174.6179.6-0.2000109.4H187 L188N185-H187 PolarHBondContact O-N 3.28Å; N185-H187 VanDerWaalsContact O-N 3.15Å; N185-H187 WeakPolarHBondContact OD1-CB 3.22Å; N185-H187 PolarHBondContact OD1-CD2 3.49Å; N185-H187 VanDerWaalsContact OD1-CD2 3.22Å; N185-H187 PolarHBondContact OD1-N 3Å; N185-L188 HydrophobicContact CB-CD1 4.21Å; N185-L188 HydrophobicContact CB-CG 4.11Å; N185-L188 WeakPolarHBondContact O-CG 3.19Å; N185-L188 PolarHBondContact O-N 3.29Å
186P92.3Very high95.2Very high45 Ų4535.3 Ų35.329%0.29218%0.175SC..G310 helixtrans-60.1-25.1-179.3-23.735.5000114.2F179 F184 L188 V189 I231F179-P186 HydrophobicContact CD1-CB 4.18Å; F179-P186 HydrophobicContact CE1-CB 3.9Å; F184-P186 WeakPolarHBondContact O-CD 3.46Å; P186-L188 PolarHBondContact O-N 3.49Å; P186-V189 PolarHBondContact O-N 3.09Å; P186-V189 VanDerWaalsContact O-O 3.09Å; P186-I231 HydrophobicContact CB-CD1 4.18Å
187H92.2Very high95.2Very high134 Ų13435.3 Ų35.362%0.6218%0.175SC*.G310 helixtrans-66.5-15.4-179.9-65.2-68.9000113.9S162 N185 V189S162-H187 WeakPolarHBondContact CB-O 3.15Å; N185-H187 PolarHBondContact O-N 3.28Å; N185-H187 VanDerWaalsContact O-N 3.15Å; N185-H187 WeakPolarHBondContact OD1-CB 3.22Å; N185-H187 PolarHBondContact OD1-CD2 3.49Å; N185-H187 VanDerWaalsContact OD1-CD2 3.22Å; N185-H187 PolarHBondContact OD1-N 3Å; H187-V189 PolarHBondContact O-N 2.86Å
188L95.8Very high95.2Very high30 Ų3035.4 Ų35.416%0.15718%0.175CC..G310 helixtrans-68.7-14.3176.5-60.6177.2000112.9I146 L150 S162 V163 F184 N185 P186I146-L188 HydrophobicContact CG2-CB 4.13Å; L150-L188 HydrophobicContact CD1-CD2 3.68Å; S162-L188 CarbonylContact C-O 3.55Å; S162-L188 VanDerWaalsContact CA-O 3.25Å; S162-L188 WeakPolarHBondContact CA-O 3.4Å; V163-L188 PolarHBondContact N-O 2.92Å; F184-L188 HydrophobicContact CE2-CD1 4.18Å; F184-L188 HydrophobicContact CZ-CB 4.35Å; N185-L188 HydrophobicContact CB-CD1 4.21Å; N185-L188 HydrophobicContact CB-CG 4.11Å; N185-L188 WeakPolarHBondContact O-CG 3.19Å; N185-L188 PolarHBondContact O-N 3.29Å; P186-L188 PolarHBondContact O-N 3.49Å
189V96.4Very high95.1Very high1 Ų135.7 Ų35.71%0.00618%0.177CC..  trans-138.8112.2-179.5178.60000109.6I146 L165 L178 F179 F184 P186 H187 I192I146-V189 HydrophobicContact CD1-CG2 3.88Å; L165-V189 HydrophobicContact CD1-CG1 3.83Å; L165-V189 HydrophobicContact CD1-CG2 3.9Å; L165-V189 HydrophobicContact CG-CG1 3.87Å; L165-V189 HydrophobicContact CG-CG2 4.19Å; L178-V189 HydrophobicContact CD1-CG2 4.39Å; F179-V189 HydrophobicContact CZ-CB 4.17Å; F179-V189 HydrophobicContact CZ-CG1 4.4Å; F184-V189 HydrophobicContact CZ-CG2 4.2Å; P186-V189 PolarHBondContact O-N 3.09Å; P186-V189 VanDerWaalsContact O-O 3.09Å; H187-V189 PolarHBondContact O-N 2.86Å; V189-I192 HydrophobicContact CG1-CD1 4.06Å; V189-I192 HydrophobicContact CG1-CG1 3.64Å
190S94.3Very high94.7Very high11 Ų1137 Ų378%0.07718%0.183CC..SBendtrans-94.6-36.9179.456.20000112.7S162 T232 R313S162-S190 PolarHBondContact OG-OG 2.88Å; S190-T232 PolarHBondContact O-N 3.46Å; S190-R313 PolarHBondContact O-NH1 2.89Å
191L97.4Very high94.4Very high2 Ų236.6 Ų36.61%0.0118%0.184CC..EExtended strand (participates in β ladder)trans-131.9133.7-175.9174.764.1000111.6V164 L165 I193 T232 F295 L298 L317V164-L191 HydrophobicContact CG1-CB 4.16Å; V164-L191 HydrophobicContact CG1-CD2 3.95Å; V164-L191 HydrophobicContact CG1-CG 4.04Å; V164-L191 HydrophobicContact CG2-CB 4.14Å; V164-L191 HydrophobicContact CG2-CD2 4.47Å; L165-L191 PolarHBondContact N-O 3.47Å; L191-I193 HydrophobicContact CD1-CG1 4.26Å; L191-I193 HydrophobicContact CD2-CD1 4.45Å; L191-I193 HydrophobicContact CD2-CG1 4.45Å; L191-I193 HydrophobicContact CG-CG1 4.26Å; L191-T232 WeakPolarHBondContact CA-O 3.41Å; L191-T232 HydrophobicContact CD1-CG2 4.03Å; L191-F295 HydrophobicContact CD2-CE1 4.21Å; L191-L298 HydrophobicContact CD2-CD1 3.56Å; L191-L317 HydrophobicContact CD1-CD1 3.97Å
192I98.2Very high94.1Very high0 Ų037 Ų370%019%0.188CC..EExtended strand (participates in β ladder)trans-124.9121173.2-52.6176.5000108.4L165 A175 F179 V189 T194 W221 T232 V233 L234L165-I192 HydrophobicContact CB-CG1 4.37Å; L165-I192 HydrophobicContact CB-CG2 4.38Å; L165-I192 HydrophobicContact CD1-CG1 4.49Å; L165-I192 WeakPolarHBondContact O-CA 3.35Å; A175-I192 HydrophobicContact CB-CG2 4.02Å; F179-I192 HydrophobicContact CE2-CD1 3.8Å; F179-I192 HydrophobicContact CZ-CD1 4.34Å; V189-I192 HydrophobicContact CG1-CD1 4.06Å; V189-I192 HydrophobicContact CG1-CG1 3.64Å; I192-T194 HydrophobicContact CG2-CG2 3.75Å; I192-W221 HydrophobicContact CD1-CH2 4.46Å; I192-T232 PolarHBondContact N-O 3.3Å; I192-V233 HydrophobicContact CB-CG1 4.31Å; I192-V233 HydrophobicContact CB-CG2 4.33Å; I192-V233 HydrophobicContact CD1-CG2 4.37Å; I192-V233 CarbonylContact O-C 3.53Å; I192-V233 WeakPolarHBondContact O-CA 3.48Å; I192-L234 PolarHBondContact O-N 3.44Å
193I98.4Very high94Very high1 Ų134.7 Ų34.71%0.00517%0.171CC..EExtended strand (participates in β ladder)trans-107.9127.1168.6-57.3-172.3000107.8L165 V166 G167 L191 L234 T291 F295L165-I193 PolarHBondContact O-N 3.39Å; V166-I193 CarbonylContact C-O 3.58Å; V166-I193 VanDerWaalsContact CA-O 3.26Å; V166-I193 WeakPolarHBondContact CA-O 3.22Å; G167-I193 PolarHBondContact N-O 3.45Å; L191-I193 HydrophobicContact CD1-CG1 4.26Å; L191-I193 HydrophobicContact CD2-CD1 4.45Å; L191-I193 HydrophobicContact CD2-CG1 4.45Å; L191-I193 HydrophobicContact CG-CG1 4.26Å; I193-L234 CarbonylContact C-O 3.54Å; I193-L234 WeakPolarHBondContact CA-O 3.45Å; I193-L234 HydrophobicContact CD1-CD2 4.38Å; I193-L234 HydrophobicContact CG1-CB 4.32Å; I193-L234 HydrophobicContact CG1-CD2 4.44Å; I193-L234 HydrophobicContact CG2-CD2 4.28Å; I193-T291 HydrophobicContact CD1-CG2 4.1Å; I193-F295 HydrophobicContact CD1-CD1 4.4Å; I193-F295 HydrophobicContact CD1-CE1 3.43Å; I193-F295 VanDerWaalsContact CD1-CE1 3.43Å; I193-F295 HydrophobicContact CD1-CZ 3.82Å; I193-F295 HydrophobicContact CG1-CE1 4.33Å
194T98.3Very high94Very high0 Ų025.6 Ų25.60%014%0.141CC..EExtended strand (participates in β ladder)trans-119.6139179.561.30000110.9G167 I192 H199 L234 S235 V236G167-T194 CarbonylContact O-C 3.57Å; G167-T194 VanDerWaalsContact O-CA 3.26Å; G167-T194 WeakPolarHBondContact O-CA 3.2Å; I192-T194 HydrophobicContact CG2-CG2 3.75Å; T194-H199 WeakPolarHBondContact CB-NE2 2.92Å; T194-H199 PolarHBondContact OG1-NE2 2.91Å; T194-L234 PolarHBondContact N-O 3Å; T194-L234 PolarHBondContact OG1-O 2.99Å; T194-S235 VanDerWaalsContact OG1-CA 3.3Å; T194-S235 WeakPolarHBondContact OG1-CA 3.34Å; T194-S235 WeakPolarHBondContact OG1-CB 3.38Å; T194-S235 PolarHBondContact OG1-OG 2.95Å; T194-V236 PolarHBondContact O-N 2.86Å
195Q97.6Very high93.7Very high9 Ų925 Ų254%0.04214%0.139CC..EExtended strand (participates in β ladder)trans-122.6118-177.1-67.3177.2-18.900108.8G167 H168 S169 S197 V236 I281G167-Q195 PolarHBondContact O-N 3.04Å; H168-Q195 WeakPolarHBondContact CA-O 3.17Å; H168-Q195 PolarHBondContact CD2-O 3Å; S169-Q195 PolarHBondContact N-O 3.41Å; Q195-S197 PolarHBondContact O-N 3.27Å; Q195-S197 VanDerWaalsContact O-N 3.15Å; Q195-V236 WeakPolarHBondContact CA-O 3.5Å; Q195-I281 HydrophobicContact CB-CD1 4.04Å; Q195-I281 HydrophobicContact CB-CG1 4.17Å; Q195-I281 HydrophobicContact CB-CG2 4.14Å
196A97.2Very high93.4Very high0 Ų022.7 Ų22.70%013%0.127CC..SBendtrans5332.6-179.200000114S169 P198 V236 D242 I281S169-A196 WeakPolarHBondContact CA-O 3.32Å; A196-P198 WeakPolarHBondContact O-CD 3.37Å; A196-V236 PolarHBondContact N-O 2.88Å; A196-D242 VanDerWaalsContact CB-OD2 3.31Å; A196-D242 WeakPolarHBondContact CB-OD2 3.46Å; A196-I281 HydrophobicContact CB-CD1 3.96Å; A196-I281 HydrophobicContact CB-CG2 4.08Å
197S97.8Very high93.1Very high0 Ų020.6 Ų20.60%011%0.113CC..  trans-88120.4-178.9-65.90000111.3S169 G172 Q195 H199 T250S169-S197 PolarHBondContact N-OG 2.97Å; S169-S197 WeakPolarHBondContact O-CA 3.49Å; S169-S197 WeakPolarHBondContact O-CB 3.47Å; S169-S197 PolarHBondContact O-OG 3Å; G172-S197 WeakPolarHBondContact CA-OG 3.12Å; Q195-S197 PolarHBondContact O-N 3.27Å; Q195-S197 VanDerWaalsContact O-N 3.15Å; S197-H199 WeakPolarHBondContact CB-NE2 3.5Å; S197-H199 PolarHBondContact O-CD2 2.89Å; S197-H199 PolarHBondContact O-N 3.3Å; S197-T250 VanDerWaalsContact O-CA 3.27Å; S197-T250 WeakPolarHBondContact O-CA 3.36Å
198P95.8Very high92.9Very high3 Ų315.6 Ų15.62%0.0199%0.093CC..  trans-72.395.9176.127.6-30.9000109.7M170 V173 A196 V203 Y214 V245 L249M170-P198 HydrophobicContact SD-CG 4.16Å; V173-P198 HydrophobicContact CG2-CG 4.43Å; V173-P198 WeakPolarHBondContact CG2-O 3.41Å; A196-P198 WeakPolarHBondContact O-CD 3.37Å; P198-V203 HydrophobicContact CB-CG2 4.46Å; P198-V203 HydrophobicContact CG-CG2 4.5Å; P198-Y214 WeakPolarHBondContact CG-OH 3.4Å; P198-Y214 WeakPolarHBondContact O-CE1 3.29Å; P198-Y214 PolarHBondContact O-OH 2.89Å; P198-V245 HydrophobicContact CB-CG1 3.95Å; P198-V245 HydrophobicContact CG-CG1 4.38Å; P198-V245 HydrophobicContact CG-CG2 4.35Å; P198-L249 CarbonylContact C-O 3.57Å; P198-L249 HydrophobicContact CB-CB 4.25Å
199H94.3Very high92.7Very high6 Ų618.5 Ų18.53%0.02810%0.102CC..  trans-89.4-26.5-177.3-77.8-51.1000113.7R176 T194 S197 S235 L249 T250 S251 L252R176-H199 WeakPolarHBondContact CD-CE1 3.36Å; R176-H199 VanDerWaalsContact CD-ND1 3.29Å; R176-H199 WeakPolarHBondContact CD-ND1 3.27Å; R176-H199 VanDerWaalsContact NH1-CB 3.3Å; R176-H199 VanDerWaalsContact NH1-CG 3.33Å; R176-H199 PolarHBondContact NH1-ND1 2.99Å; T194-H199 WeakPolarHBondContact CB-NE2 2.92Å; T194-H199 PolarHBondContact OG1-NE2 2.91Å; S197-H199 WeakPolarHBondContact CB-NE2 3.5Å; S197-H199 PolarHBondContact O-CD2 2.89Å; S197-H199 PolarHBondContact O-N 3.3Å; H199-S235 PolarHBondContact CD2-OG 3.4Å; H199-L249 PolarHBondContact N-O 3.16Å; H199-T250 PolarHBondContact CD2-O 2.92Å; H199-S251 VanDerWaalsContact CB-O 3.24Å; H199-S251 WeakPolarHBondContact CB-O 3.25Å; H199-L252 HydrophobicContact CB-CD2 4.27Å
200M88.8Confident92.4Very high31 Ų3118.4 Ų18.415%0.15310%0.102CC..SBendtrans-74.6-54.4-178.2-69.6-85.278.700112R218 L249 S251 P253M200-R218 PolarHBondContact O-NH2 2.77Å; M200-L249 HydrophobicContact CB-CD2 4.21Å; M200-L249 PolarHBondContact N-O 2.05Å; M200-S251 WeakPolarHBondContact CE-O 3.35Å; M200-S251 WeakPolarHBondContact CG-O 3.2Å; M200-P253 HydrophobicContact CE-CB 3.23Å; M200-P253 VanDerWaalsContact CE-CD 3.4Å; M200-P253 HydrophobicContact CE-CG 3.6Å
201A87.9Confident92.2Very high34 Ų3419.2 Ų19.228%0.28111%0.105SC..SBendtrans-159.2155.9-172.100000109L249A201-L249 HydrophobicContact CB-CD2 4.26Å
202P89.9Confident91.9Very high19 Ų1924.1 Ų24.112%0.12313%0.131CC..  trans-61152173.127.3-35.2000110.9L204 A205 L210 L211 Y214P202-L204 VanDerWaalsContact C-N 3.33Å; P202-A205 HydrophobicContact CG-CB 4.17Å; P202-L210 HydrophobicContact CB-CD2 3.64Å; P202-L210 HydrophobicContact CB-CG 3.93Å; P202-L210 HydrophobicContact CG-CD2 4.36Å; P202-L210 HydrophobicContact CG-CG 4.39Å; P202-L211 HydrophobicContact CG-CD2 4.5Å; P202-Y214 HydrophobicContact CB-CE2 4.1Å
203V87.8Confident91.7Very high57 Ų5725.1 Ų25.135%0.34514%0.136SC..SBendtrans-63.3-43.4177.5179.30000110.7P198 Q244 V245 L249P198-V203 HydrophobicContact CB-CG2 4.46Å; P198-V203 HydrophobicContact CG-CG2 4.5Å; V203-Q244 VanDerWaalsContact CG1-O 3.24Å; V203-Q244 WeakPolarHBondContact CG1-O 3.33Å; V203-Q244 WeakPolarHBondContact CG2-O 3.29Å; V203-V245 HydrophobicContact CG2-CG2 3.9Å; V203-L249 HydrophobicContact CG2-CD1 4.36Å
204L87.3Confident91.5Very high58 Ų5825.8 Ų25.830%0.30414%0.138SC..SBendtrans-135.6129.7172.8-65.6173.6000108.4P202 L206 P604 L920P202-L204 VanDerWaalsContact C-N 3.33Å; L204-L206 HydrophobicContact CB-CD1 4.33Å; L204-L206 HydrophobicContact CB-CG 4.03Å; L204-L206 PolarHBondContact O-N 2.67Å; L204-P604 HydrophobicContact CD2-CB 4.12Å; L204-P604 HydrophobicContact CD2-CG 3.9Å; L204-L920 HydrophobicContact CD2-CD1 4.12Å
205A86.2Confident91.1Very high6 Ų628.8 Ų28.85%0.0516%0.157CC..  trans-93.281.7177.400000110.6P202 L211 L918 L920P202-A205 HydrophobicContact CG-CB 4.17Å; A205-L211 HydrophobicContact CB-CD1 3.86Å; A205-L211 HydrophobicContact CB-CD2 4.02Å; A205-L211 HydrophobicContact CB-CG 4.01Å; A205-L918 VanDerWaalsContact CB-O 3.31Å; A205-L918 WeakPolarHBondContact CB-O 3.34Å; A205-L920 PolarHBondContact O-N 3.28Å; A205-L920 VanDerWaalsContact O-N 3.13Å
206L86.7Confident90.9Very high29 Ų2930.3 Ų30.315%0.15217%0.171CC..  trans-91.9-12.4-175.5-64.7175000114.2L130 L204 P850 L920 Y921L130-L206 HydrophobicContact CB-CD1 4.17Å; L130-L206 HydrophobicContact CD2-CD1 3.69Å; L130-L206 HydrophobicContact CG-CD1 4.47Å; L204-L206 HydrophobicContact CB-CD1 4.33Å; L204-L206 HydrophobicContact CB-CG 4.03Å; L204-L206 PolarHBondContact O-N 2.67Å; L206-P850 HydrophobicContact CD1-CG 4.01Å; L206-L920 HydrophobicContact CD2-CB 4.02Å; L206-L920 HydrophobicContact CD2-CD1 3.8Å; L206-Y921 VanDerWaalsContact O-CB 3.29Å; L206-Y921 WeakPolarHBondContact O-CB 3.32Å
207D86.9Confident90.7Very high1 Ų130.5 Ų30.51%0.00517%0.172CC..SBendtrans-147.5154.3176.675.971.9000111Y131 G132 Y209 L210 P869Y131-D207 WeakPolarHBondContact CA-OD2 3.17Å; G132-D207 PolarHBondContact N-OD2 2.97Å; D207-Y209 WeakPolarHBondContact OD1-CA 3.43Å; D207-Y209 WeakPolarHBondContact OD1-CB 3.5Å; D207-Y209 PolarHBondContact OD1-N 2.66Å; D207-L210 WeakPolarHBondContact OD1-CB 3.43Å; D207-L210 PolarHBondContact OD1-N 2.85Å; D207-P869 HydrophobicContact CB-CB 3.92Å; D207-P869 HydrophobicContact CB-CG 4.2Å
208P88.1Confident90.4Very high30 Ų3035.7 Ų35.720%0.19519%0.192CC..Hα-helixtrans-69.4-32.9-179.826.3-34.4000113.6L210 L211 D212 Y921P208-L210 VanDerWaalsContact C-N 3.28Å; P208-L210 PolarHBondContact O-N 3.47Å; P208-L211 WeakPolarHBondContact O-CB 3.35Å; P208-L211 PolarHBondContact O-N 2.89Å; P208-L211 VanDerWaalsContact O-N 3.14Å; P208-D212 PolarHBondContact O-N 2.78Å; P208-Y921 HydrophobicContact CB-CE2 4.21Å
209Y92Very high90.1Very high90 Ų9040.7 Ų40.735%0.35322%0.215SC..Hα-helixtrans-63.4-35.3-177.7-58.5-67.3000112.4D207 F213 P867 P869D207-Y209 WeakPolarHBondContact OD1-CA 3.43Å; D207-Y209 WeakPolarHBondContact OD1-CB 3.5Å; D207-Y209 PolarHBondContact OD1-N 2.66Å; Y209-F213 WeakPolarHBondContact O-CB 3.45Å; Y209-F213 PolarHBondContact O-N 2.5Å; Y209-P867 HydrophobicContact CD1-CG 4.15Å; Y209-P867 HydrophobicContact CD2-CB 4.39Å; Y209-P867 HydrophobicContact CD2-CG 4.02Å; Y209-P867 HydrophobicContact CE1-CB 3.95Å; Y209-P867 HydrophobicContact CE1-CG 4.05Å; Y209-P867 HydrophobicContact CE2-CB 3.76Å; Y209-P867 HydrophobicContact CE2-CG 3.9Å; Y209-P867 HydrophobicContact CG-CG 4.14Å; Y209-P869 HydrophobicContact CD2-CB 4.21Å; Y209-P869 HydrophobicContact CE2-CB 4.02Å
210L90.6Very high90Very high0 Ų043 Ų430%023%0.225CC..Hα-helixtrans-63.1-45.8175.2-17562000110.5L135 M170 P202 D207 P208 F213 Y214L135-L210 HydrophobicContact CD1-CD1 3.5Å; M170-L210 HydrophobicContact CE-CD1 4.1Å; P202-L210 HydrophobicContact CB-CD2 3.64Å; P202-L210 HydrophobicContact CB-CG 3.93Å; P202-L210 HydrophobicContact CG-CD2 4.36Å; P202-L210 HydrophobicContact CG-CG 4.39Å; D207-L210 WeakPolarHBondContact OD1-CB 3.43Å; D207-L210 PolarHBondContact OD1-N 2.85Å; P208-L210 VanDerWaalsContact C-N 3.28Å; P208-L210 PolarHBondContact O-N 3.47Å; L210-F213 PolarHBondContact O-N 2.81Å; L210-Y214 HydrophobicContact CD1-CD2 4.16Å; L210-Y214 HydrophobicContact CD1-CE2 3.72Å; L210-Y214 HydrophobicContact CG-CD2 4.44Å; L210-Y214 HydrophobicContact CG-CE2 4.26Å; L210-Y214 WeakPolarHBondContact O-CD2 3.42Å; L210-Y214 PolarHBondContact O-N 3Å; L210-Y214 VanDerWaalsContact O-N 3.08Å
211L88.9Confident90Very high27 Ų2741.7 Ų41.714%0.14122%0.218CC..Hα-helixtrans-65.9-43.8177.6-74.7143.1000112.3P202 A205 P208 F213 Y214 T215 H919 Y921P202-L211 HydrophobicContact CG-CD2 4.5Å; A205-L211 HydrophobicContact CB-CD1 3.86Å; A205-L211 HydrophobicContact CB-CD2 4.02Å; A205-L211 HydrophobicContact CB-CG 4.01Å; P208-L211 WeakPolarHBondContact O-CB 3.35Å; P208-L211 PolarHBondContact O-N 2.89Å; P208-L211 VanDerWaalsContact O-N 3.14Å; L211-F213 VanDerWaalsContact C-N 3.27Å; L211-F213 PolarHBondContact O-N 3.33Å; L211-Y214 PolarHBondContact O-N 2.85Å; L211-T215 WeakPolarHBondContact O-CB 3.35Å; L211-T215 PolarHBondContact O-N 3.12Å; L211-T215 PolarHBondContact O-OG1 3.12Å; L211-H919 WeakPolarHBondContact CD1-CD2 3.03Å; L211-H919 WeakPolarHBondContact CD2-NE2 3.37Å; L211-Y921 HydrophobicContact CD1-CD1 4.18Å; L211-Y921 HydrophobicContact CD1-CE1 3.46Å; L211-Y921 VanDerWaalsContact CD1-CE1 3.46Å
212D91.6Very high90.1Very high105 Ų10542.8 Ų42.856%0.56122%0.221SC*.Hα-helixtrans-60.2-41.4177.2-69.8-19.9000110.7P208 T215 A216P208-D212 PolarHBondContact O-N 2.78Å; D212-T215 PolarHBondContact O-N 3.24Å; D212-A216 WeakPolarHBondContact O-CB 3.46Å; D212-A216 PolarHBondContact O-N 2.9Å
213F94.3Very high89.9Confident21 Ų2147.8 Ų47.89%0.09225%0.247CC..Hα-helixtrans-60.6-49.6175.2-174.8-96.3000112L135 V173 A177 Y209 L210 L211 T215 A216 V217L135-F213 HydrophobicContact CB-CD1 4.2Å; L135-F213 HydrophobicContact CB-CD2 3.75Å; L135-F213 HydrophobicContact CB-CE1 4.08Å; L135-F213 HydrophobicContact CB-CE2 3.66Å; L135-F213 HydrophobicContact CB-CG 4.01Å; L135-F213 HydrophobicContact CB-CZ 3.8Å; L135-F213 HydrophobicContact CD1-CB 4.26Å; L135-F213 HydrophobicContact CD1-CD1 3.66Å; L135-F213 HydrophobicContact CD1-CE1 4.03Å; L135-F213 HydrophobicContact CD1-CG 3.9Å; L135-F213 HydrophobicContact CD2-CE1 4.28Å; L135-F213 HydrophobicContact CD2-CZ 4.46Å; L135-F213 HydrophobicContact CG-CD1 4.42Å; L135-F213 HydrophobicContact CG-CE1 4.38Å; V173-F213 HydrophobicContact CG1-CD1 4.44Å; V173-F213 HydrophobicContact CG1-CE1 3.91Å; A177-F213 HydrophobicContact CB-CE1 3.97Å; A177-F213 HydrophobicContact CB-CE2 3.75Å; A177-F213 HydrophobicContact CB-CZ 3.2Å; Y209-F213 WeakPolarHBondContact O-CB 3.45Å; Y209-F213 PolarHBondContact O-N 2.5Å; L210-F213 PolarHBondContact O-N 2.81Å; L211-F213 VanDerWaalsContact C-N 3.27Å; L211-F213 PolarHBondContact O-N 3.33Å; F213-T215 VanDerWaalsContact C-N 3.31Å; F213-T215 PolarHBondContact O-N 3.42Å; F213-A216 PolarHBondContact O-N 2.69Å; F213-V217 HydrophobicContact CD1-CG2 4.35Å; F213-V217 HydrophobicContact CE1-CG2 4.17Å; F213-V217 HydrophobicContact CZ-CG2 4.48Å; F213-V217 VanDerWaalsContact O-CG2 3.3Å; F213-V217 WeakPolarHBondContact O-CG2 3.25Å; F213-V217 PolarHBondContact O-N 3.16Å
214Y92.6Very high89.9Confident15 Ų1548.4 Ų48.46%0.05925%0.246CC..Hα-helixtrans-62.4-39.1177.2-88.2-110000112.3M170 V173 P198 P202 L210 L211 V217 R218M170-Y214 HydrophobicContact CE-CE2 3.98Å; M170-Y214 HydrophobicContact SD-CE2 4.46Å; M170-Y214 PolarHBondContact SD-OH 3.39Å; V173-Y214 HydrophobicContact CG1-CE1 4.41Å; V173-Y214 HydrophobicContact CG1-CE2 4.33Å; P198-Y214 WeakPolarHBondContact CG-OH 3.4Å; P198-Y214 WeakPolarHBondContact O-CE1 3.29Å; P198-Y214 PolarHBondContact O-OH 2.89Å; P202-Y214 HydrophobicContact CB-CE2 4.1Å; L210-Y214 HydrophobicContact CD1-CD2 4.16Å; L210-Y214 HydrophobicContact CD1-CE2 3.72Å; L210-Y214 HydrophobicContact CG-CD2 4.44Å; L210-Y214 HydrophobicContact CG-CE2 4.26Å; L210-Y214 WeakPolarHBondContact O-CD2 3.42Å; L210-Y214 PolarHBondContact O-N 3Å; L210-Y214 VanDerWaalsContact O-N 3.08Å; L211-Y214 PolarHBondContact O-N 2.85Å; Y214-V217 PolarHBondContact O-N 3.28Å; Y214-R218 WeakPolarHBondContact O-CB 3.46Å; Y214-R218 PolarHBondContact O-N 3.23Å
215T90.8Very high89.8Confident63 Ų6346.6 Ų46.639%0.38724%0.24SC..Hα-helixtrans-64.3-46178.1-58.40000110.6L211 D212 F213 V217 R218 Q219L211-T215 WeakPolarHBondContact O-CB 3.35Å; L211-T215 PolarHBondContact O-N 3.12Å; L211-T215 PolarHBondContact O-OG1 3.12Å; D212-T215 PolarHBondContact O-N 3.24Å; F213-T215 VanDerWaalsContact C-N 3.31Å; F213-T215 PolarHBondContact O-N 3.42Å; T215-V217 PolarHBondContact O-N 3.01Å; T215-R218 PolarHBondContact O-N 3.44Å; T215-Q219 HydrophobicContact CG2-CG 4.35Å; T215-Q219 WeakPolarHBondContact O-CB 3.46Å; T215-Q219 VanDerWaalsContact O-CG 3.28Å; T215-Q219 WeakPolarHBondContact O-CG 3.27Å; T215-Q219 PolarHBondContact O-N 3.2Å
216A92.6Very high89.8Confident41 Ų4150.8 Ų50.834%0.33927%0.274SS..Hα-helixtrans-61-43176.200000112.2D212 F213 K220D212-A216 WeakPolarHBondContact O-CB 3.46Å; D212-A216 PolarHBondContact O-N 2.9Å; F213-A216 PolarHBondContact O-N 2.69Å; A216-K220 WeakPolarHBondContact O-CB 3.45Å; A216-K220 PolarHBondContact O-N 2.86Å; A216-K220 VanDerWaalsContact O-N 3.1Å
217V93.4Very high89.8Confident4 Ų456.8 Ų56.82%0.02430%0.299CS..Hα-helixtrans-62.2-51.5174.6176.40000110R176 A177 T180 F213 Y214 T215 Q219 K220 W221R176-V217 HydrophobicContact CB-CG1 4.05Å; A177-V217 HydrophobicContact CB-CG2 3.69Å; T180-V217 HydrophobicContact CG2-CG2 4.11Å; F213-V217 HydrophobicContact CD1-CG2 4.35Å; F213-V217 HydrophobicContact CE1-CG2 4.17Å; F213-V217 HydrophobicContact CZ-CG2 4.48Å; F213-V217 VanDerWaalsContact O-CG2 3.3Å; F213-V217 WeakPolarHBondContact O-CG2 3.25Å; F213-V217 PolarHBondContact O-N 3.16Å; Y214-V217 PolarHBondContact O-N 3.28Å; T215-V217 PolarHBondContact O-N 3.01Å; V217-Q219 PolarHBondContact O-N 2.69Å; V217-K220 PolarHBondContact O-N 2.8Å; V217-W221 PolarHBondContact O-N 2.88Å
218R91.6Very high89.9Confident109 Ų10957 Ų5741%0.41130%0.3SS..Hα-helixtrans-56.5-51.6179.8-175.3-172.1-65.4-156.92.4111.6M200 Y214 T215 K220 W221 V222 P253M200-R218 PolarHBondContact O-NH2 2.77Å; Y214-R218 WeakPolarHBondContact O-CB 3.46Å; Y214-R218 PolarHBondContact O-N 3.23Å; T215-R218 PolarHBondContact O-N 3.44Å; R218-K220 VanDerWaalsContact C-N 3.27Å; R218-K220 PolarHBondContact O-N 2.73Å; R218-W221 PolarHBondContact O-N 2.81Å; R218-W221 VanDerWaalsContact O-N 3.13Å; R218-V222 HydrophobicContact CG-CG2 3.95Å; R218-V222 WeakPolarHBondContact O-CB 3.46Å; R218-V222 WeakPolarHBondContact O-CG2 3.41Å; R218-V222 PolarHBondContact O-N 2.67Å; R218-P253 HydrophobicContact CG-CB 4.17Å; R218-P253 HydrophobicContact CG-CG 4.36Å
219Q90.1Very high89.8Confident109 Ų10963.7 Ų63.751%0.50932%0.321SS..Hα-helixtrans-56.4-41.7179.4-74.6176.1-3.800111.7T215 V217 N223T215-Q219 HydrophobicContact CG2-CG 4.35Å; T215-Q219 WeakPolarHBondContact O-CB 3.46Å; T215-Q219 VanDerWaalsContact O-CG 3.28Å; T215-Q219 WeakPolarHBondContact O-CG 3.27Å; T215-Q219 PolarHBondContact O-N 3.2Å; V217-Q219 PolarHBondContact O-N 2.69Å; Q219-N223 WeakPolarHBondContact O-CB 3.4Å; Q219-N223 PolarHBondContact O-N 2.72Å
220K91.2Very high89.7Confident55 Ų5564.3 Ų64.324%0.23933%0.331CS..Hα-helixtrans-63.7-44.7177.2-176.169.9-171.1-161.90112.5F179 T180 A216 V217 R218 Q224F179-K220 HydrophobicContact CB-CG 4.25Å; F179-K220 WeakPolarHBondContact O-CD 3.37Å; F179-K220 WeakPolarHBondContact O-CE 3.34Å; F179-K220 PolarHBondContact O-NZ 3.4Å; T180-K220 HydrophobicContact CG2-CB 3.91Å; T180-K220 HydrophobicContact CG2-CG 4.25Å; A216-K220 WeakPolarHBondContact O-CB 3.45Å; A216-K220 PolarHBondContact O-N 2.86Å; A216-K220 VanDerWaalsContact O-N 3.1Å; V217-K220 PolarHBondContact O-N 2.8Å; R218-K220 VanDerWaalsContact C-N 3.27Å; R218-K220 PolarHBondContact O-N 2.73Å; K220-Q224 VanDerWaalsContact CE-OE1 3.23Å; K220-Q224 WeakPolarHBondContact O-CB 3.4Å; K220-Q224 PolarHBondContact O-N 3.32Å
221W90.4Very high89.8Confident2 Ų264.7 Ų64.71%0.00833%0.332CS..Hα-helixtrans-80.8-27.6-174.2-77.491000114.1R176 F179 I192 V217 R218 L228 I231 V233R176-W221 HydrophobicContact CB-CZ2 4.01Å; R176-W221 HydrophobicContact CG-CZ2 3.83Å; R176-W221 PolarHBondContact O-NE1 2.81Å; F179-W221 HydrophobicContact CD2-CH2 4Å; F179-W221 AromaticContact CD2-CZ2 3.3Å; F179-W221 HydrophobicContact CD2-CZ2 3.3Å; F179-W221 AromaticContact CE2-CH2 3.98Å; F179-W221 HydrophobicContact CE2-CH2 3.98Å; F179-W221 AromaticContact CE2-CZ2 3.63Å; F179-W221 HydrophobicContact CE2-CZ2 3.63Å; F179-W221 AromaticContact CG-CZ2 3.95Å; F179-W221 HydrophobicContact CG-CZ2 3.95Å; F179-W221 HydrophobicContact CZ-CH2 4.47Å; F179-W221 HydrophobicContact CZ-CZ2 4.49Å; I192-W221 HydrophobicContact CD1-CH2 4.46Å; V217-W221 PolarHBondContact O-N 2.88Å; R218-W221 PolarHBondContact O-N 2.81Å; R218-W221 VanDerWaalsContact O-N 3.13Å; W221-L228 HydrophobicContact CD2-CD1 3.72Å; W221-L228 HydrophobicContact CE3-CB 4.31Å; W221-L228 HydrophobicContact CE3-CD1 3.53Å; W221-L228 HydrophobicContact CG-CD1 4.28Å; W221-L228 HydrophobicContact CH2-CD1 4.29Å; W221-L228 HydrophobicContact CZ2-CD1 4.47Å; W221-L228 HydrophobicContact CZ3-CB 4.03Å; W221-L228 HydrophobicContact CZ3-CD1 3.79Å; W221-L228 HydrophobicContact CZ3-CG 4.47Å; W221-I231 HydrophobicContact CH2-CG2 4.37Å; W221-V233 HydrophobicContact CH2-CG2 3.92Å; W221-V233 HydrophobicContact CZ3-CG2 4.07Å
222V88.4Confident90.1Very high57 Ų5763.4 Ų63.435%0.34533%0.326SS..Hα-helixtrans-86.3-58176.4177.80000110.3R218 Q224 A225 P253R218-V222 HydrophobicContact CG-CG2 3.95Å; R218-V222 WeakPolarHBondContact O-CB 3.46Å; R218-V222 WeakPolarHBondContact O-CG2 3.41Å; R218-V222 PolarHBondContact O-N 2.67Å; V222-Q224 VanDerWaalsContact C-N 3.31Å; V222-Q224 PolarHBondContact O-N 3.3Å; V222-A225 WeakPolarHBondContact O-CB 3.45Å; V222-A225 PolarHBondContact O-N 2.88Å; V222-P253 HydrophobicContact CG2-CB 4.23Å; V222-P253 WeakPolarHBondContact CG2-O 3.35Å
223N87.1Confident90.3Very high124 Ų12458.4 Ų58.466%0.66330%0.299SS*.Hα-helixtrans-74.4-22.7-170.2-55.7-2.1000112.7Q219Q219-N223 WeakPolarHBondContact O-CB 3.4Å; Q219-N223 PolarHBondContact O-N 2.72Å
224Q86Confident90.5Very high71 Ų7157.4 Ų57.433%0.33230%0.295SS..THydrogen-bonded Turntrans-116.527.7177.8-54-174.85.900112.6K220 V222 A226 K227K220-Q224 VanDerWaalsContact CE-OE1 3.23Å; K220-Q224 WeakPolarHBondContact O-CB 3.4Å; K220-Q224 PolarHBondContact O-N 3.32Å; V222-Q224 VanDerWaalsContact C-N 3.31Å; V222-Q224 PolarHBondContact O-N 3.3Å; Q224-A226 PolarHBondContact O-N 2.9Å; Q224-A226 VanDerWaalsContact O-N 3.16Å; Q224-K227 HydrophobicContact CB-CD 4.47Å; Q224-K227 PolarHBondContact O-N 3.03Å
225A85.9Confident90.7Very high20 Ų2056.7 Ų56.717%0.16529%0.292CS..G310 helixtrans-51.7-39.4-179.200000113.1V222 K227 L228 R229 P255V222-A225 WeakPolarHBondContact O-CB 3.45Å; V222-A225 PolarHBondContact O-N 2.88Å; A225-K227 PolarHBondContact O-N 3.39Å; A225-L228 CarbonylContact O-C 3.47Å; A225-L228 PolarHBondContact O-N 3.3Å; A225-R229 PolarHBondContact O-N 3.46Å; A225-P255 HydrophobicContact CB-CG 3.94Å
226A85.7Confident91Very high93 Ų9353.7 Ų53.777%0.76927%0.274SS*.G310 helixtrans-56.6-35.7178.300000113.4Q224 L228Q224-A226 PolarHBondContact O-N 2.9Å; Q224-A226 VanDerWaalsContact O-N 3.16Å; A226-L228 VanDerWaalsContact C-N 3.27Å; A226-L228 PolarHBondContact O-N 3.09Å
227K86.6Confident91.2Very high156 Ų15651.8 Ų51.868%0.67826%0.258SS*.G310 helixtrans-74.7-17.4177.9-63.9-176.6-180178.30113Q224 A225Q224-K227 HydrophobicContact CB-CD 4.47Å; Q224-K227 PolarHBondContact O-N 3.03Å; A225-K227 PolarHBondContact O-N 3.39Å
228L89.7Confident91.2Very high4 Ų451.6 Ų51.62%0.02126%0.256CS..G310 helixtrans-112.114.6-174.8-55.5178000112.6F179 W221 A225 A226 N230 I231 K261F179-L228 HydrophobicContact CB-CD2 4.45Å; F179-L228 HydrophobicContact CD1-CD2 3.59Å; F179-L228 HydrophobicContact CE1-CD2 4.21Å; F179-L228 HydrophobicContact CG-CD2 4.2Å; W221-L228 HydrophobicContact CD2-CD1 3.72Å; W221-L228 HydrophobicContact CE3-CB 4.31Å; W221-L228 HydrophobicContact CE3-CD1 3.53Å; W221-L228 HydrophobicContact CG-CD1 4.28Å; W221-L228 HydrophobicContact CH2-CD1 4.29Å; W221-L228 HydrophobicContact CZ2-CD1 4.47Å; W221-L228 HydrophobicContact CZ3-CB 4.03Å; W221-L228 HydrophobicContact CZ3-CD1 3.79Å; W221-L228 HydrophobicContact CZ3-CG 4.47Å; A225-L228 CarbonylContact O-C 3.47Å; A225-L228 PolarHBondContact O-N 3.3Å; A226-L228 VanDerWaalsContact C-N 3.27Å; A226-L228 PolarHBondContact O-N 3.09Å; L228-N230 VanDerWaalsContact C-N 3.31Å; L228-N230 PolarHBondContact O-N 3.37Å; L228-I231 HydrophobicContact CB-CD1 4.23Å; L228-I231 HydrophobicContact CD2-CD1 3.69Å; L228-I231 PolarHBondContact O-N 3.46Å; L228-K261 PolarHBondContact O-NZ 3.3Å
229R86.1Confident91.2Very high171 Ų17146.4 Ų46.465%0.64524%0.237SC*.THydrogen-bonded Turntrans-62.9-34.3-178.6-168.6177.8-179.2-168-0.2112.8A225 I231 N260A225-R229 PolarHBondContact O-N 3.46Å; R229-I231 PolarHBondContact O-N 2.89Å; R229-N260 PolarHBondContact O-ND2 3.34Å
230N89.3Confident91.1Very high104 Ų10442.7 Ų42.756%0.55622%0.219SC*.THydrogen-bonded Turntrans-77.4-4.8-178.3-67.2-3.8000113.9L228 R313L228-N230 VanDerWaalsContact C-N 3.31Å; L228-N230 PolarHBondContact O-N 3.37Å; N230-R313 PolarHBondContact O-NH1 2.84Å; N230-R313 PolarHBondContact O-NH2 3.25Å
231I93.1Very high91.1Very high7 Ų741.3 Ų41.34%0.03621%0.212CC..  trans-97.7128.9-176.1-49.9-178.3000108.5F179 P186 W221 L228 R229 V233 K261F179-I231 HydrophobicContact CD1-CD1 3.85Å; F179-I231 HydrophobicContact CE1-CD1 3.09Å; F179-I231 HydrophobicContact CE1-CG1 4.49Å; F179-I231 HydrophobicContact CZ-CD1 3.49Å; F179-I231 VanDerWaalsContact CZ-CD1 3.49Å; F179-I231 HydrophobicContact CZ-CG2 4.4Å; P186-I231 HydrophobicContact CB-CD1 4.18Å; W221-I231 HydrophobicContact CH2-CG2 4.37Å; L228-I231 HydrophobicContact CB-CD1 4.23Å; L228-I231 HydrophobicContact CD2-CD1 3.69Å; L228-I231 PolarHBondContact O-N 3.46Å; R229-I231 PolarHBondContact O-N 2.89Å; I231-V233 HydrophobicContact CG2-CG2 4.32Å; I231-K261 PolarHBondContact O-NZ 2.94Å
232T95.6Very high91.2Very high0 Ų041.3 Ų41.30%021%0.212CC..EExtended strand (participates in β ladder)trans-96.6128.7177.7-48.40000109.3S190 L191 I192 N260 R313 L317S190-T232 PolarHBondContact O-N 3.46Å; L191-T232 WeakPolarHBondContact CA-O 3.41Å; L191-T232 HydrophobicContact CD1-CG2 4.03Å; I192-T232 PolarHBondContact N-O 3.3Å; T232-N260 CarbonylContact C-O 3.58Å; T232-N260 WeakPolarHBondContact CA-O 3.42Å; T232-R313 PolarHBondContact OG1-NH1 3.31Å; T232-L317 HydrophobicContact CG2-CD1 3.44Å; T232-L317 VanDerWaalsContact CG2-CD1 3.44Å
233V96.4Very high91.2Very high0 Ų043.9 Ų43.90%022%0.216CC..EExtended strand (participates in β ladder)trans-126.6122.5177.8-172.40000109I192 W221 I231 L252 N260 K261 L262I192-V233 HydrophobicContact CB-CG1 4.31Å; I192-V233 HydrophobicContact CB-CG2 4.33Å; I192-V233 HydrophobicContact CD1-CG2 4.37Å; I192-V233 CarbonylContact O-C 3.53Å; I192-V233 WeakPolarHBondContact O-CA 3.48Å; W221-V233 HydrophobicContact CH2-CG2 3.92Å; W221-V233 HydrophobicContact CZ3-CG2 4.07Å; I231-V233 HydrophobicContact CG2-CG2 4.32Å; V233-L252 HydrophobicContact CB-CD1 4.01Å; V233-L252 HydrophobicContact CG1-CD1 3.73Å; V233-L252 HydrophobicContact CG1-CD2 3.88Å; V233-L252 HydrophobicContact CG1-CG 4.48Å; V233-N260 PolarHBondContact N-O 2.76Å; V233-K261 HydrophobicContact CB-CD 3.87Å; V233-K261 HydrophobicContact CG2-CD 3.86Å; V233-K261 WeakPolarHBondContact O-CA 3.34Å; V233-L262 PolarHBondContact O-N 2.98Å
234L96.9Very high91.4Very high0 Ų041.3 Ų41.30%020%0.2CC..EExtended strand (participates in β ladder)trans-111.1124.9173.2179.765.7000108.9I192 I193 T194 V236 L262 L264 L317 F321I192-L234 PolarHBondContact O-N 3.44Å; I193-L234 CarbonylContact C-O 3.54Å; I193-L234 WeakPolarHBondContact CA-O 3.45Å; I193-L234 HydrophobicContact CD1-CD2 4.38Å; I193-L234 HydrophobicContact CG1-CB 4.32Å; I193-L234 HydrophobicContact CG1-CD2 4.44Å; I193-L234 HydrophobicContact CG2-CD2 4.28Å; T194-L234 PolarHBondContact N-O 3Å; T194-L234 PolarHBondContact OG1-O 2.99Å; L234-V236 HydrophobicContact CD2-CG2 4.31Å; L234-V236 HydrophobicContact CG-CG2 4.11Å; L234-L262 CarbonylContact C-O 3.34Å; L234-L262 WeakPolarHBondContact CA-O 3.28Å; L234-L262 HydrophobicContact CD1-CB 3.75Å; L234-L262 HydrophobicContact CD1-CD1 4.49Å; L234-L264 HydrophobicContact CD1-CD2 3.59Å; L234-L317 HydrophobicContact CB-CD1 4.39Å; L234-L317 HydrophobicContact CD2-CD2 4.17Å; L234-F321 HydrophobicContact CD2-CB 4.45Å; L234-F321 HydrophobicContact CD2-CD1 3.79Å; L234-F321 HydrophobicContact CD2-CD2 3.61Å; L234-F321 HydrophobicContact CD2-CE1 3.8Å; L234-F321 HydrophobicContact CD2-CE2 3.62Å; L234-F321 HydrophobicContact CD2-CG 3.69Å; L234-F321 HydrophobicContact CD2-CZ 3.72Å
235S97.1Very high91.7Very high0 Ų038.1 Ų38.10%019%0.186CC..EExtended strand (participates in β ladder)trans-115.6126.4172.1-159.60000111.3T194 H199 T250 L262 S263 L264T194-S235 VanDerWaalsContact OG1-CA 3.3Å; T194-S235 WeakPolarHBondContact OG1-CA 3.34Å; T194-S235 WeakPolarHBondContact OG1-CB 3.38Å; T194-S235 PolarHBondContact OG1-OG 2.95Å; H199-S235 PolarHBondContact CD2-OG 3.4Å; S235-T250 WeakPolarHBondContact CB-O 3.42Å; S235-T250 PolarHBondContact OG-O 2.84Å; S235-L262 PolarHBondContact N-O 3.45Å; S235-S263 WeakPolarHBondContact O-CA 3.41Å; S235-L264 PolarHBondContact O-N 3.09Å
236V97.4Very high92Very high1 Ų139.8 Ų39.81%0.00619%0.188CC..EExtended strand (participates in β ladder)trans-119.1113.2-179.9-172.90000109.1T194 Q195 A196 L234 L264 V266 V269 L287 F321T194-V236 PolarHBondContact O-N 2.86Å; Q195-V236 WeakPolarHBondContact CA-O 3.5Å; A196-V236 PolarHBondContact N-O 2.88Å; L234-V236 HydrophobicContact CD2-CG2 4.31Å; L234-V236 HydrophobicContact CG-CG2 4.11Å; V236-L264 WeakPolarHBondContact CA-O 3.28Å; V236-L264 HydrophobicContact CG1-CD1 4.36Å; V236-L264 HydrophobicContact CG2-CD1 4.33Å; V236-L264 HydrophobicContact CG2-CG 4.48Å; V236-V266 HydrophobicContact CG1-CB 3.96Å; V236-V269 HydrophobicContact CG1-CG2 4.37Å; V236-L287 HydrophobicContact CG1-CD1 4.33Å; V236-L287 HydrophobicContact CG1-CD2 4.38Å; V236-F321 HydrophobicContact CG2-CD1 4.32Å; V236-F321 HydrophobicContact CG2-CE1 4.3Å
237G96.5Very high92.2Very high0 Ų035.3 Ų35.30%015%0.151CC..EExtended strand (participates in β ladder)trans-84.2154.4173.500000113L264 V266G237-L264 PolarHBondContact N-O 3.11Å; G237-V266 WeakPolarHBondContact O-CB 2.97Å; G237-V266 WeakPolarHBondContact O-CG1 3.02Å; G237-V266 PolarHBondContact O-N 3.18Å
238G93.4Very high92.3Very high0 Ų028.6 Ų28.60%013%0.126CC..  trans-80.2-11-174.800000116.3V266 S275 T276G238-V266 VanDerWaalsContact C-CG1 3.48Å; G238-V266 VanDerWaalsContact O-CG1 3.23Å; G238-V266 WeakPolarHBondContact O-CG1 3.45Å; G238-S275 WeakPolarHBondContact O-CA 3.47Å; G238-S275 PolarHBondContact O-OG 2.87Å; G238-T276 CarbonylContact C-O 3.59Å; G238-T276 WeakPolarHBondContact CA-OG1 3.44Å; G238-T276 PolarHBondContact O-N 2.83Å; G238-T276 PolarHBondContact O-OG1 3.38Å
239G91.9Very high92.4Very high1 Ų129.1 Ų29.11%0.0113%0.129CC..  trans85.3-148.9-175.600000112.3S247G239-S247 VanDerWaalsContact CA-OG 3.31Å; G239-S247 WeakPolarHBondContact CA-OG 3.49Å; G239-S247 PolarHBondContact N-OG 2.92Å; G239-S247 PolarHBondContact O-OG 3.28Å
240Y88.3Confident92.7Very high31 Ų3121 Ų2112%0.12210%0.098CC..SBendtrans-79.1-22.6-173.1-70-65.1000114.9D242 S275 M559 L560 H561Y240-D242 VanDerWaalsContact C-N 3.27Å; Y240-S275 PolarHBondContact N-OG 2.87Å; Y240-S275 VanDerWaalsContact N-OG 3.09Å; Y240-M559 HydrophobicContact CD1-CE 3.89Å; Y240-M559 HydrophobicContact CD2-CE 4.02Å; Y240-M559 HydrophobicContact CE1-CB 3.75Å; Y240-M559 HydrophobicContact CE1-CE 4.05Å; Y240-M559 HydrophobicContact CE2-CB 4.19Å; Y240-M559 HydrophobicContact CE2-CE 4.17Å; Y240-M559 HydrophobicContact CG-CE 3.9Å; Y240-M559 WeakPolarHBondContact OH-CB 3.05Å; Y240-M559 PolarHBondContact OH-O 3.32Å; Y240-L560 VanDerWaalsContact OH-C 3.24Å; Y240-L560 VanDerWaalsContact OH-CA 3.29Å; Y240-L560 WeakPolarHBondContact OH-CA 3.5Å; Y240-L560 PolarHBondContact OH-N 3.44Å; Y240-L560 VanDerWaalsContact OH-N 3.09Å; Y240-H561 AromaticContact CD1-CE1 3.29Å; Y240-H561 WeakPolarHBondContact CD1-CE1 3.03Å; Y240-H561 AromaticContact CD1-ND1 3.9Å; Y240-H561 AromaticContact CD2-CE1 3.87Å; Y240-H561 AromaticContact CD2-NE2 3.91Å; Y240-H561 AromaticContact CE1-CE1 3.18Å; Y240-H561 WeakPolarHBondContact CE1-CE1 3.48Å; Y240-H561 AromaticContact CE1-ND1 3.49Å; Y240-H561 WeakPolarHBondContact CE1-ND1 3.47Å; Y240-H561 AromaticContact CE1-NE2 3.81Å; Y240-H561 AromaticContact CE2-CE1 3.78Å; Y240-H561 AromaticContact CE2-NE2 3.61Å; Y240-H561 AromaticContact CG-CE1 3.61Å; Y240-H561 AromaticContact CZ-CE1 3.39Å; Y240-H561 AromaticContact CZ-ND1 3.87Å; Y240-H561 AromaticContact CZ-NE2 3.5Å
241R91.3Very high92.8Very high26 Ų2617.5 Ų17.510%0.0988%0.082CC..SBendtrans-73-21.9176.3-71.8-177.156.380.211112.4F27 E28 N30 Y243 S275 T276 D277F27-R241 HydrophobicContact CB-CG 4.05Å; F27-R241 HydrophobicContact CD2-CB 4.42Å; F27-R241 HydrophobicContact CD2-CG 3.75Å; F27-R241 HydrophobicContact CE2-CG 4.48Å; F27-R241 HydrophobicContact CG-CG 4.06Å; E28-R241 WeakPolarHBondContact O-CD 3.31Å; E28-R241 PolarHBondContact O-NH1 3.03Å; N30-R241 VanDerWaalsContact N-NH1 3.18Å; R241-Y243 PolarHBondContact O-N 3.1Å; R241-S275 WeakPolarHBondContact CD-O 3.18Å; R241-S275 PolarHBondContact N-OG 2.85Å; R241-S275 VanDerWaalsContact N-OG 3.08Å; R241-T276 CarbonylContact C-O 3.58Å; R241-T276 WeakPolarHBondContact CB-O 3.29Å; R241-D277 HydrophobicContact CB-CB 4.23Å; R241-D277 IonicContact CZ-OD2 3.01Å; R241-D277 IonicContact NH2-OD2 3.27Å; R241-D277 PolarHBondContact NH2-OD2 3.39Å; R241-D277 WeakPolarHBondContact O-CA 3.4Å
242D93.1Very high92.7Very high2 Ų217.8 Ų17.81%0.0118%0.084CC..  trans-79.587.4171.4-164.6-15.6000110.4A196 Y240 Q244 V245 T276 H278A196-D242 VanDerWaalsContact CB-OD2 3.31Å; A196-D242 WeakPolarHBondContact CB-OD2 3.46Å; Y240-D242 VanDerWaalsContact C-N 3.27Å; D242-Q244 VanDerWaalsContact C-N 3.32Å; D242-Q244 PolarHBondContact OD1-N 3.11Å; D242-Q244 VanDerWaalsContact OD1-N 3.08Å; D242-V245 PolarHBondContact OD1-N 3.05Å; D242-T276 PolarHBondContact N-O 2.81Å; D242-H278 VanDerWaalsContact OD1-CB 3.32Å; D242-H278 WeakPolarHBondContact OD1-CB 3.49Å; D242-H278 IonicContact OD1-CG 3.14Å; D242-H278 IonicContact OD1-ND1 3.15Å; D242-H278 PolarHBondContact OD1-ND1 2.84Å; D242-H278 IonicContact OD2-CE1 3.83Å; D242-H278 IonicContact OD2-CG 3.72Å; D242-H278 IonicContact OD2-ND1 2.57Å; D242-H278 PolarHBondContact OD2-ND1 2.88Å
243Y88.6Confident92.1Very high110 Ų11018.6 Ų18.643%0.4319%0.089SC..SBendtrans-79.2-15.7174.773.2-89.9000112.8L24 R241L24-Y243 HydrophobicContact CD2-CD2 4.27Å; L24-Y243 HydrophobicContact CD2-CE2 4.49Å; R241-Y243 PolarHBondContact O-N 3.1Å
244Q90.9Very high91Very high70 Ų7019.9 Ų19.933%0.32710%0.098SC..SBendtrans-81.1-48.5-179.9-62.7-172.422.600110.4V203 D242 H278V203-Q244 VanDerWaalsContact CG1-O 3.24Å; V203-Q244 WeakPolarHBondContact CG1-O 3.33Å; V203-Q244 WeakPolarHBondContact CG2-O 3.29Å; D242-Q244 VanDerWaalsContact C-N 3.32Å; D242-Q244 PolarHBondContact OD1-N 3.11Å; D242-Q244 VanDerWaalsContact OD1-N 3.08Å; Q244-H278 HydrophobicContact CB-CB 4.02Å; Q244-H278 HydrophobicContact CG-CB 4.09Å; Q244-H278 PolarHBondContact OE1-CD2 3.22Å
245V92.4Very high89.8Confident4 Ų422.7 Ų22.72%0.02412%0.115CC..SBendtrans-121.1107.9178.5-178.20000109.6P198 V203 D242 S247 L249 T250 H278P198-V245 HydrophobicContact CB-CG1 3.95Å; P198-V245 HydrophobicContact CG-CG1 4.38Å; P198-V245 HydrophobicContact CG-CG2 4.35Å; V203-V245 HydrophobicContact CG2-CG2 3.9Å; D242-V245 PolarHBondContact OD1-N 3.05Å; V245-S247 PolarHBondContact O-N 3.29Å; V245-L249 HydrophobicContact CG1-CB 4.47Å; V245-T250 HydrophobicContact CG1-CG2 3.89Å; V245-H278 WeakPolarHBondContact CG2-CE1 3.31Å
246R90.9Very high88.4Confident55 Ų5528.3 Ų28.321%0.20815%0.152CC..  trans-61.1136.2174.5-62.8179.4-70.8138.8-5110.4G248 L249 R600 F601R246-G248 PolarHBondContact O-N 3.13Å; R246-G248 VanDerWaalsContact O-N 3.14Å; R246-L249 HydrophobicContact CB-CD1 4.47Å; R246-L249 HydrophobicContact CB-CG 4.41Å; R246-L249 WeakPolarHBondContact O-CB 3.45Å; R246-L249 PolarHBondContact O-N 3.32Å; R246-R600 VanDerWaalsContact CD-O 3.3Å; R246-R600 WeakPolarHBondContact CD-O 3.39Å; R246-R600 HydrophobicContact CG-CG 3.95Å; R246-F601 VanDerWaalsContact NH1-CE1 3.29Å
247S90.9Very high87Confident0 Ų032 Ų320%019%0.19CC..G310 helixtrans-55.5-35.6179.3-590000113.3G239 V245 L249 T250 F540G239-S247 VanDerWaalsContact CA-OG 3.31Å; G239-S247 WeakPolarHBondContact CA-OG 3.49Å; G239-S247 PolarHBondContact N-OG 2.92Å; G239-S247 PolarHBondContact O-OG 3.28Å; V245-S247 PolarHBondContact O-N 3.29Å; S247-L249 PolarHBondContact O-N 3.36Å; S247-T250 WeakPolarHBondContact O-CB 3.45Å; S247-T250 PolarHBondContact O-N 2.84Å; S247-T250 PolarHBondContact O-OG1 3.27Å; S247-F540 VanDerWaalsContact O-CZ 3.29Å; S247-F540 WeakPolarHBondContact O-CZ 3.1Å
248G88.6Confident86.4Confident15 Ų1533.6 Ų33.616%0.15520%0.199CC..G310 helixtrans-59.1-29.5174.600000114.5R246 T250 S251R246-G248 PolarHBondContact O-N 3.13Å; R246-G248 VanDerWaalsContact O-N 3.14Å; G248-T250 VanDerWaalsContact C-N 3.26Å; G248-T250 PolarHBondContact O-N 2.94Å; G248-S251 PolarHBondContact O-N 3.46Å
249L91.2Very high85.9Confident15 Ų1536.2 Ų36.28%0.07922%0.216CC..G310 helixtrans-73.9-18.3175.1-66.5176.4000112.9P198 H199 M200 A201 V203 V245 R246 S247 S251P198-L249 CarbonylContact C-O 3.57Å; P198-L249 HydrophobicContact CB-CB 4.25Å; H199-L249 PolarHBondContact N-O 3.16Å; M200-L249 HydrophobicContact CB-CD2 4.21Å; M200-L249 PolarHBondContact N-O 2.05Å; A201-L249 HydrophobicContact CB-CD2 4.26Å; V203-L249 HydrophobicContact CG2-CD1 4.36Å; V245-L249 HydrophobicContact CG1-CB 4.47Å; R246-L249 HydrophobicContact CB-CD1 4.47Å; R246-L249 HydrophobicContact CB-CG 4.41Å; R246-L249 WeakPolarHBondContact O-CB 3.45Å; R246-L249 PolarHBondContact O-N 3.32Å; S247-L249 PolarHBondContact O-N 3.36Å; L249-S251 PolarHBondContact O-N 3.07Å
250T94Very high85.8Confident0 Ų036.7 Ų36.70%022%0.218CC..G310 helixtrans-79.4-8.4179.1720000113.4S197 H199 S235 V245 S247 G248S197-T250 VanDerWaalsContact O-CA 3.27Å; S197-T250 WeakPolarHBondContact O-CA 3.36Å; H199-T250 PolarHBondContact CD2-O 2.92Å; S235-T250 WeakPolarHBondContact CB-O 3.42Å; S235-T250 PolarHBondContact OG-O 2.84Å; V245-T250 HydrophobicContact CG1-CG2 3.89Å; S247-T250 WeakPolarHBondContact O-CB 3.45Å; S247-T250 PolarHBondContact O-N 2.84Å; S247-T250 PolarHBondContact O-OG1 3.27Å; G248-T250 VanDerWaalsContact C-N 3.26Å; G248-T250 PolarHBondContact O-N 2.94Å
251S90.6Very high86Confident31 Ų3136.3 Ų36.322%0.21722%0.217CC..SBendtrans-57.1139.5173.8-1630000111.8H199 M200 G248 L249H199-S251 VanDerWaalsContact CB-O 3.24Å; H199-S251 WeakPolarHBondContact CB-O 3.25Å; M200-S251 WeakPolarHBondContact CE-O 3.35Å; M200-S251 WeakPolarHBondContact CG-O 3.2Å; G248-S251 PolarHBondContact O-N 3.46Å; L249-S251 PolarHBondContact O-N 3.07Å
252L90.4Very high86Confident13 Ų1335.7 Ų35.77%0.06822%0.216CC..  trans-81.3124.9175.5-65.8168.3000110.2H199 V233 C254 K261 S263H199-L252 HydrophobicContact CB-CD2 4.27Å; V233-L252 HydrophobicContact CB-CD1 4.01Å; V233-L252 HydrophobicContact CG1-CD1 3.73Å; V233-L252 HydrophobicContact CG1-CD2 3.88Å; V233-L252 HydrophobicContact CG1-CG 4.48Å; L252-C254 PolarHBondContact O-N 3.02Å; L252-K261 HydrophobicContact CD1-CB 4Å; L252-S263 PolarHBondContact N-OG 3.02Å; L252-S263 VanDerWaalsContact N-OG 3.1Å
253P82.6Confident86Confident17 Ų1736.6 Ų36.611%0.1122%0.222CC..  trans-74.276.3170.825.4-24.1000109M200 R218 V222M200-P253 HydrophobicContact CE-CB 3.23Å; M200-P253 VanDerWaalsContact CE-CD 3.4Å; M200-P253 HydrophobicContact CE-CG 3.6Å; R218-P253 HydrophobicContact CG-CB 4.17Å; R218-P253 HydrophobicContact CG-CG 4.36Å; V222-P253 HydrophobicContact CG2-CB 4.23Å; V222-P253 WeakPolarHBondContact CG2-O 3.35Å
254C74.1Confident86.2Confident27 Ų2731.5 Ų31.518%0.18220%0.202CC..  trans-127.5153.4176.4-65.90000109.1L252 K261L252-C254 PolarHBondContact O-N 3.02Å; C254-K261 HydrophobicContact CB-CB 4.22Å; C254-K261 HydrophobicContact CB-CG 3.98Å
255P71.9Confident86.4Confident58 Ų5828.1 Ų28.138%0.37719%0.187SC..  trans-52.2136.6178.2-26.834.9000111.7A225 G257 D258A225-P255 HydrophobicContact CB-CG 3.94Å; P255-G257 PolarHBondContact O-N 2.76Å; P255-D258 PolarHBondContact O-N 3.41Å
256P66.9Low86.5Confident119 Ų11928 Ų2877%0.77319%0.186SC*.THydrogen-bonded Turntrans-59.4133.7179.324.3-32.5000110
257G69.7Low86.7Confident78 Ų7826.1 Ų26.180%0.80418%0.18SC*.THydrogen-bonded Turntrans95.62.5178.200000116.2P255 P259P255-G257 PolarHBondContact O-N 2.76Å; G257-P259 WeakPolarHBondContact O-CD 3.21Å
258D82.2Confident86.8Confident33 Ų3326.8 Ų26.818%0.17619%0.186CC..  trans-70.3109.9169.1-173-15.5000110.3P255 N260 K261P255-D258 PolarHBondContact O-N 3.41Å; D258-N260 PolarHBondContact O-N 3.19Å; D258-N260 WeakPolarHBondContact OD1-CB 3.46Å; D258-N260 PolarHBondContact OD1-N 2.99Å; D258-K261 HydrophobicContact CB-CB 4.41Å; D258-K261 HydrophobicContact CB-CG 4.01Å; D258-K261 PolarHBondContact O-N 3.04Å; D258-K261 WeakPolarHBondContact OD2-CE 3.37Å; D258-K261 WeakPolarHBondContact OD2-CG 3.3Å
259P83.4Confident87Confident56 Ų5626.1 Ų26.136%0.36418%0.179SC..THydrogen-bonded Turntrans-72.3-12.1-174.933.7-38000113G257G257-P259 WeakPolarHBondContact O-CD 3.21Å
260N89.8Confident87.1Confident11 Ų1125.7 Ų25.76%0.05918%0.177CC..THydrogen-bonded Turntrans-91.3-5.4178.5-67.7-30.5000112.7R229 T232 V233 D258R229-N260 PolarHBondContact O-ND2 3.34Å; T232-N260 CarbonylContact C-O 3.58Å; T232-N260 WeakPolarHBondContact CA-O 3.42Å; V233-N260 PolarHBondContact N-O 2.76Å; D258-N260 PolarHBondContact O-N 3.19Å; D258-N260 WeakPolarHBondContact OD1-CB 3.46Å; D258-N260 PolarHBondContact OD1-N 2.99Å
261K91.8Very high86.9Confident22 Ų2230.7 Ų30.710%0.09620%0.196CC..EExtended strand (participates in β ladder)trans-114.1109.4176.4-49.3-58.1176.2-162.30108.9L228 I231 V233 L252 C254 D258L228-K261 PolarHBondContact O-NZ 3.3Å; I231-K261 PolarHBondContact O-NZ 2.94Å; V233-K261 HydrophobicContact CB-CD 3.87Å; V233-K261 HydrophobicContact CG2-CD 3.86Å; V233-K261 WeakPolarHBondContact O-CA 3.34Å; L252-K261 HydrophobicContact CD1-CB 4Å; C254-K261 HydrophobicContact CB-CB 4.22Å; C254-K261 HydrophobicContact CB-CG 3.98Å; D258-K261 HydrophobicContact CB-CB 4.41Å; D258-K261 HydrophobicContact CB-CG 4.01Å; D258-K261 PolarHBondContact O-N 3.04Å; D258-K261 WeakPolarHBondContact OD2-CE 3.37Å; D258-K261 WeakPolarHBondContact OD2-CG 3.3Å
262L91.9Very high87Confident13 Ų1329.4 Ų29.47%0.06819%0.187CC..EExtended strand (participates in β ladder)trans-119.2126.7-174.8-62.4172.4000109.1V233 L234 S235 L317 I322V233-L262 PolarHBondContact O-N 2.98Å; L234-L262 CarbonylContact C-O 3.34Å; L234-L262 WeakPolarHBondContact CA-O 3.28Å; L234-L262 HydrophobicContact CD1-CB 3.75Å; L234-L262 HydrophobicContact CD1-CD1 4.49Å; S235-L262 PolarHBondContact N-O 3.45Å; L262-L317 HydrophobicContact CD1-CB 4.34Å; L262-I322 HydrophobicContact CD1-CD1 4.45Å; L262-I322 HydrophobicContact CD2-CD1 4.31Å
263S92.9Very high87.1Confident22 Ų2231.2 Ų31.215%0.15419%0.193CC..EExtended strand (participates in β ladder)trans-119.9135.6171.5-53.70000108.6S235 L252S235-S263 WeakPolarHBondContact O-CA 3.41Å; L252-S263 PolarHBondContact N-OG 3.02Å; L252-S263 VanDerWaalsContact N-OG 3.1Å
264L93.5Very high87.5Confident2 Ų231.3 Ų31.31%0.0119%0.193CC..EExtended strand (participates in β ladder)trans-158.4169178.160.7112.6000111L234 S235 V236 G237 V269 F321 R541L234-L264 HydrophobicContact CD1-CD2 3.59Å; S235-L264 PolarHBondContact O-N 3.09Å; V236-L264 WeakPolarHBondContact CA-O 3.28Å; V236-L264 HydrophobicContact CG1-CD1 4.36Å; V236-L264 HydrophobicContact CG2-CD1 4.33Å; V236-L264 HydrophobicContact CG2-CG 4.48Å; G237-L264 PolarHBondContact N-O 3.11Å; L264-V269 HydrophobicContact CD1-CG2 3.22Å; L264-F321 HydrophobicContact CD2-CB 4.12Å; L264-R541 HydrophobicContact CB-CB 4.16Å
265V94.9Very high88.4Confident0 Ų030.9 Ų30.90%019%0.191CC..EExtended strand (participates in β ladder)trans-103143.7175.6-173.10000109.8T267 A268 F540 R541 E542V265-T267 HydrophobicContact CG1-CG2 4.49Å; V265-T267 PolarHBondContact O-N 3.14Å; V265-A268 WeakPolarHBondContact O-CB 3.38Å; V265-A268 PolarHBondContact O-N 2.82Å; V265-F540 HydrophobicContact CG2-CD1 4.13Å; V265-F540 HydrophobicContact CG2-CE1 3.78Å; V265-R541 PolarHBondContact N-O 2.92Å; V265-E542 HydrophobicContact CB-CB 4.19Å; V265-E542 HydrophobicContact CG2-CB 3.61Å
266V95.1Very high89.4Confident0 Ų028.1 Ų28.10%017%0.173CC..G310 helixtrans-52.6-29.9-179.364.70000113.6V236 G237 G238 A268 V269 T272 V274 T276 L287V236-V266 HydrophobicContact CG1-CB 3.96Å; G237-V266 WeakPolarHBondContact O-CB 2.97Å; G237-V266 WeakPolarHBondContact O-CG1 3.02Å; G237-V266 PolarHBondContact O-N 3.18Å; G238-V266 VanDerWaalsContact C-CG1 3.48Å; G238-V266 VanDerWaalsContact O-CG1 3.23Å; G238-V266 WeakPolarHBondContact O-CG1 3.45Å; V266-A268 PolarHBondContact O-N 2.87Å; V266-V269 WeakPolarHBondContact O-CB 3.47Å; V266-V269 PolarHBondContact O-N 2.81Å; V266-V269 VanDerWaalsContact O-N 3.13Å; V266-T272 HydrophobicContact CG2-CG2 3.45Å; V266-T272 VanDerWaalsContact CG2-CG2 3.45Å; V266-V274 VanDerWaalsContact CG1-O 3.31Å; V266-V274 WeakPolarHBondContact CG1-O 3.32Å; V266-T276 HydrophobicContact CG1-CG2 4.47Å; V266-T276 HydrophobicContact CG2-CG2 4.23Å; V266-L287 HydrophobicContact CG2-CB 4.41Å; V266-L287 HydrophobicContact CG2-CD1 4.42Å; V266-L287 HydrophobicContact CG2-CD2 4Å
267T93.4Very high90.7Very high16 Ų1624 Ų2410%0.09814%0.144CC..G310 helixtrans-65.1-26.1176.555.90000112.9V265 W273 D543 F545V265-T267 HydrophobicContact CG1-CG2 4.49Å; V265-T267 PolarHBondContact O-N 3.14Å; T267-W273 WeakPolarHBondContact O-CA 3.45Å; T267-D543 CarbonylContact C-O 3.55Å; T267-D543 WeakPolarHBondContact CB-O 3.49Å; T267-D543 PolarHBondContact OG1-O 3.25Å; T267-F545 WeakPolarHBondContact O-CD2 3.41Å
268A93.1Very high91.8Very high15 Ų1520.7 Ų20.712%0.12411%0.108CC..G310 helixtrans-85.8-12.7176.800000113.1V265 V266 P270 R541 D543V265-A268 WeakPolarHBondContact O-CB 3.38Å; V265-A268 PolarHBondContact O-N 2.82Å; V266-A268 PolarHBondContact O-N 2.87Å; A268-P270 WeakPolarHBondContact O-CD 3.31Å; A268-R541 VanDerWaalsContact CB-O 3.29Å; A268-R541 WeakPolarHBondContact CB-O 3.43Å; A268-D543 HydrophobicContact CB-CB 3.99Å; A268-D543 PolarHBondContact N-O 3.41Å
269V94.2Very high92.4Very high0 Ų023.4 Ų23.40%012%0.122CC..SBendtrans-70.6123.4-177.8178.50000110V236 L264 V266 T272 W273 L287 A290 F321V236-V269 HydrophobicContact CG1-CG2 4.37Å; L264-V269 HydrophobicContact CD1-CG2 3.22Å; V266-V269 WeakPolarHBondContact O-CB 3.47Å; V266-V269 PolarHBondContact O-N 2.81Å; V266-V269 VanDerWaalsContact O-N 3.13Å; V269-T272 WeakPolarHBondContact CG1-OG1 3.05Å; V269-T272 WeakPolarHBondContact O-CB 3.24Å; V269-T272 PolarHBondContact O-N 3.39Å; V269-W273 PolarHBondContact O-N 3.49Å; V269-L287 HydrophobicContact CG1-CD1 4.47Å; V269-A290 HydrophobicContact CG1-CB 4.29Å; V269-F321 HydrophobicContact CG1-CD1 3.98Å; V269-F321 HydrophobicContact CG1-CE1 4.5Å; V269-F321 HydrophobicContact CG2-CD1 4Å
270P91.9Very high92.9Very high7 Ų720.8 Ų20.85%0.04511%0.105CC..THydrogen-bonded Turntrans-54.5141.1175.6-2634.1000112.5A268 T272 H324A268-P270 WeakPolarHBondContact O-CD 3.31Å; P270-T272 PolarHBondContact O-N 3.47Å; P270-T272 VanDerWaalsContact O-N 3.11Å; P270-H324 HydrophobicContact CB-CB 3.61Å; P270-H324 HydrophobicContact CG-CB 4.03Å
271R90.4Very high93.2Very high104 Ų10420.2 Ų20.239%0.39210%0.102SC..THydrogen-bonded Turntrans63.72.2-174.2-50.1177.6-179-120.210115.2W273 H324 L417R271-W273 VanDerWaalsContact N-CZ2 3.34Å; R271-H324 PolarHBondContact NE-NE2 2.68Å; R271-H324 PolarHBondContact NH2-CE1 2.83Å; R271-H324 PolarHBondContact NH2-NE2 2.98Å; R271-L417 HydrophobicContact CG-CD2 3.72Å
272T92.8Very high93.4Very high5 Ų519.7 Ų19.73%0.03110%0.1CC..THydrogen-bonded Turntrans-103.1-67.7173.2-50.30000111.3V266 V269 P270 V274 E286 L287V266-T272 HydrophobicContact CG2-CG2 3.45Å; V266-T272 VanDerWaalsContact CG2-CG2 3.45Å; V269-T272 WeakPolarHBondContact CG1-OG1 3.05Å; V269-T272 WeakPolarHBondContact O-CB 3.24Å; V269-T272 PolarHBondContact O-N 3.39Å; P270-T272 PolarHBondContact O-N 3.47Å; P270-T272 VanDerWaalsContact O-N 3.11Å; T272-V274 HydrophobicContact CG2-CG2 3.77Å; T272-V274 WeakPolarHBondContact O-CG1 3.47Å; T272-V274 WeakPolarHBondContact O-CG2 3.36Å; T272-V274 PolarHBondContact O-N 3.26Å; T272-E286 HydrophobicContact CG2-CB 3.95Å; T272-L287 HydrophobicContact CG2-CB 4.24Å
273W91.7Very high93.6Very high51 Ų5121.7 Ų21.719%0.19311%0.107CC..  trans49.224.4173.7-49.7-54.3000116.5T267 V269 R271 L417 L418 P419 F545T267-W273 WeakPolarHBondContact O-CA 3.45Å; V269-W273 PolarHBondContact O-N 3.49Å; R271-W273 VanDerWaalsContact N-CZ2 3.34Å; W273-L417 HydrophobicContact CH2-CD2 4.09Å; W273-L417 HydrophobicContact CH2-CG 3.95Å; W273-L417 HydrophobicContact CZ2-CG 4.2Å; W273-L417 WeakPolarHBondContact CZ2-O 3.37Å; W273-L418 VanDerWaalsContact CH2-C 3.5Å; W273-L418 WeakPolarHBondContact CH2-O 3.45Å; W273-P419 HydrophobicContact CB-CG 4.4Å; W273-P419 HydrophobicContact CD2-CB 4.31Å; W273-P419 HydrophobicContact CD2-CG 3.63Å; W273-P419 HydrophobicContact CE3-CB 3.93Å; W273-P419 HydrophobicContact CE3-CG 3.78Å; W273-P419 HydrophobicContact CG-CG 3.95Å; W273-P419 HydrophobicContact CZ2-CG 4.44Å; W273-P419 VanDerWaalsContact CZ3-CA 3.41Å; W273-P419 HydrophobicContact CZ3-CB 4.11Å; W273-P419 HydrophobicContact CZ3-CG 4.25Å; W273-F545 HydrophobicContact CB-CB 4.42Å; W273-F545 HydrophobicContact CB-CD2 4.26Å; W273-F545 AromaticContact CD1-CD2 3.31Å; W273-F545 AromaticContact CD1-CE2 3.4Å; W273-F545 VanDerWaalsContact CD1-CE2 3.4Å; W273-F545 AromaticContact CD1-CG 3.89Å; W273-F545 HydrophobicContact CG-CD2 4.03Å; W273-F545 HydrophobicContact CG-CE2 4.48Å; W273-F545 HydrophobicContact CG-CG 4.34Å; W273-F545 AromaticContact NE1-CE2 3.84Å
274V91.6Very high93.8Very high19 Ų1920.6 Ų20.612%0.11510%0.099CC..SBendtrans-129.9145.8-179.5-66.30000109.2R31 C32 V266 T272R31-V274 HydrophobicContact CB-CB 4.29Å; R31-V274 HydrophobicContact CB-CG1 3.6Å; C32-V274 WeakPolarHBondContact SG-CG2 3.42Å; V266-V274 VanDerWaalsContact CG1-O 3.31Å; V266-V274 WeakPolarHBondContact CG1-O 3.32Å; T272-V274 HydrophobicContact CG2-CG2 3.77Å; T272-V274 WeakPolarHBondContact O-CG1 3.47Å; T272-V274 WeakPolarHBondContact O-CG2 3.36Å; T272-V274 PolarHBondContact O-N 3.26Å
275S92.4Very high93.9Very high18 Ų1825 Ų2513%0.12612%0.118CC..  trans-81.4144.8169.8-175.30000109.5G238 Y240 R241G238-S275 WeakPolarHBondContact O-CA 3.47Å; G238-S275 PolarHBondContact O-OG 2.87Å; Y240-S275 PolarHBondContact N-OG 2.87Å; Y240-S275 VanDerWaalsContact N-OG 3.09Å; R241-S275 WeakPolarHBondContact CD-O 3.18Å; R241-S275 PolarHBondContact N-OG 2.85Å; R241-S275 VanDerWaalsContact N-OG 3.08Å
276T94.2Very high93.9Very high0 Ų026.8 Ų26.80%013%0.127CC..  trans-113140.517650.40000110C32 G238 R241 D242 V266 S280 I281 C284C32-T276 WeakPolarHBondContact SG-CG2 3.37Å; G238-T276 CarbonylContact C-O 3.59Å; G238-T276 WeakPolarHBondContact CA-OG1 3.44Å; G238-T276 PolarHBondContact O-N 2.83Å; G238-T276 PolarHBondContact O-OG1 3.38Å; R241-T276 CarbonylContact C-O 3.58Å; R241-T276 WeakPolarHBondContact CB-O 3.29Å; D242-T276 PolarHBondContact N-O 2.81Å; V266-T276 HydrophobicContact CG1-CG2 4.47Å; V266-T276 HydrophobicContact CG2-CG2 4.23Å; T276-S280 WeakPolarHBondContact CA-OG 3.32Å; T276-S280 WeakPolarHBondContact CB-OG 3.36Å; T276-I281 HydrophobicContact CG2-CB 4.4Å; T276-I281 HydrophobicContact CG2-CG1 4.48Å; T276-C284 HydrophobicContact CG2-CB 3.72Å
277D92.9Very high94Very high33 Ų3326.8 Ų26.818%0.17613%0.127CC..  trans-71.9167.9160.160.361.3000111.2R241 L279 S280 I281R241-D277 HydrophobicContact CB-CB 4.23Å; R241-D277 IonicContact CZ-OD2 3.01Å; R241-D277 IonicContact NH2-OD2 3.27Å; R241-D277 PolarHBondContact NH2-OD2 3.39Å; R241-D277 WeakPolarHBondContact O-CA 3.4Å; D277-L279 PolarHBondContact O-N 2.57Å; D277-L279 VanDerWaalsContact O-N 3.1Å; D277-L279 PolarHBondContact OD1-N 3.14Å; D277-S280 PolarHBondContact N-OG 2.94Å; D277-S280 PolarHBondContact O-N 3.15Å; D277-S280 VanDerWaalsContact O-N 3.12Å; D277-S280 PolarHBondContact O-OG 3.25Å; D277-S280 WeakPolarHBondContact OD1-CB 3.31Å; D277-S280 PolarHBondContact OD1-N 3.41Å; D277-S280 PolarHBondContact OD1-OG 3.46Å; D277-S280 PolarHBondContact OD2-OG 2.95Å; D277-I281 PolarHBondContact O-N 3.4Å
278H94.4Very high94.2Very high8 Ų826.1 Ų26.14%0.03712%0.123CC..THydrogen-bonded Turntrans-54.7-36.1-171.1-163.358.6000113.9H168 S169 D242 Q244 V245 I281H168-H278 AromaticContact CE1-NE2 3.99Å; H168-H278 AromaticContact NE2-NE2 3.97Å; H168-H278 PolarHBondContact NE2-O 2.75Å; S169-H278 VanDerWaalsContact CB-NE2 3.3Å; S169-H278 WeakPolarHBondContact CB-NE2 3.23Å; S169-H278 PolarHBondContact OG-CE1 2.77Å; S169-H278 PolarHBondContact OG-NE2 2.78Å; D242-H278 VanDerWaalsContact OD1-CB 3.32Å; D242-H278 WeakPolarHBondContact OD1-CB 3.49Å; D242-H278 IonicContact OD1-CG 3.14Å; D242-H278 IonicContact OD1-ND1 3.15Å; D242-H278 PolarHBondContact OD1-ND1 2.84Å; D242-H278 IonicContact OD2-CE1 3.83Å; D242-H278 IonicContact OD2-CG 3.72Å; D242-H278 IonicContact OD2-ND1 2.57Å; D242-H278 PolarHBondContact OD2-ND1 2.88Å; Q244-H278 HydrophobicContact CB-CB 4.02Å; Q244-H278 HydrophobicContact CG-CB 4.09Å; Q244-H278 PolarHBondContact OE1-CD2 3.22Å; V245-H278 WeakPolarHBondContact CG2-CE1 3.31Å; H278-I281 WeakPolarHBondContact O-CG2 3.42Å
279L93.2Very high94.4Very high90 Ų9027.7 Ų27.747%0.47113%0.129SC..THydrogen-bonded Turntrans-88.7-36.9-179.6-61.7-178.8000111.4D277 I281 V282 W283D277-L279 PolarHBondContact O-N 2.57Å; D277-L279 VanDerWaalsContact O-N 3.1Å; D277-L279 PolarHBondContact OD1-N 3.14Å; L279-I281 PolarHBondContact O-N 3.4Å; L279-V282 WeakPolarHBondContact O-CG2 3.19Å; L279-V282 PolarHBondContact O-N 2.88Å; L279-W283 VanDerWaalsContact O-CD1 3.31Å; L279-W283 PolarHBondContact O-NE1 2.82Å
280S94.3Very high94.4Very high0 Ų027.9 Ų27.90%013%0.131CC..G310 helixtrans-64.5-23.6-178.967.80000114.5T276 D277 V282 W283 C284T276-S280 WeakPolarHBondContact CA-OG 3.32Å; T276-S280 WeakPolarHBondContact CB-OG 3.36Å; D277-S280 PolarHBondContact N-OG 2.94Å; D277-S280 PolarHBondContact O-N 3.15Å; D277-S280 VanDerWaalsContact O-N 3.12Å; D277-S280 PolarHBondContact O-OG 3.25Å; D277-S280 WeakPolarHBondContact OD1-CB 3.31Å; D277-S280 PolarHBondContact OD1-N 3.41Å; D277-S280 PolarHBondContact OD1-OG 3.46Å; D277-S280 PolarHBondContact OD2-OG 2.95Å; S280-V282 PolarHBondContact O-N 3.05Å; S280-V282 VanDerWaalsContact O-N 3.08Å; S280-W283 CarbonylContact O-C 3.58Å; S280-W283 PolarHBondContact O-N 2.79Å; S280-C284 VanDerWaalsContact O-CB 3.29Å; S280-C284 WeakPolarHBondContact O-CB 3.45Å; S280-C284 PolarHBondContact O-N 3.18Å
281I96.1Very high94.7Very high0 Ų027.6 Ų27.60%013%0.129CC..G310 helixtrans-57-29.1179.3-159.4169.2000113.4Q195 A196 T276 D277 H278 L279 L287Q195-I281 HydrophobicContact CB-CD1 4.04Å; Q195-I281 HydrophobicContact CB-CG1 4.17Å; Q195-I281 HydrophobicContact CB-CG2 4.14Å; A196-I281 HydrophobicContact CB-CD1 3.96Å; A196-I281 HydrophobicContact CB-CG2 4.08Å; T276-I281 HydrophobicContact CG2-CB 4.4Å; T276-I281 HydrophobicContact CG2-CG1 4.48Å; D277-I281 PolarHBondContact O-N 3.4Å; H278-I281 WeakPolarHBondContact O-CG2 3.42Å; L279-I281 PolarHBondContact O-N 3.4Å; I281-L287 HydrophobicContact CD1-CD2 4.35Å; I281-L287 HydrophobicContact CG1-CD2 3.56Å
282V96Very high95Very high10 Ų1022.8 Ų22.86%0.06111%0.111CC..G310 helixtrans-83.9-17.9-179.4-48.80000113.6F85 Q95 S98 H168 L279 S280 V288F85-V282 HydrophobicContact CZ-CG1 4.49Å; Q95-V282 HydrophobicContact CB-CG2 4.28Å; S98-V282 WeakPolarHBondContact CB-O 3.46Å; H168-V282 HydrophobicContact CB-CG1 3.82Å; H168-V282 WeakPolarHBondContact CD2-CG1 3.43Å; H168-V282 VanDerWaalsContact CG-CG1 3.43Å; L279-V282 WeakPolarHBondContact O-CG2 3.19Å; L279-V282 PolarHBondContact O-N 2.88Å; S280-V282 PolarHBondContact O-N 3.05Å; S280-V282 VanDerWaalsContact O-N 3.08Å; V282-V288 WeakPolarHBondContact O-CG2 3.34Å
283W95.7Very high95.1Very high55 Ų5526.6 Ų26.621%0.20812%0.124CC..THydrogen-bonded Turntrans-123-1.7-177.358.4-105.8000114.5N30 C32 M34 T35 S98 L279 S280 K285N30-W283 WeakPolarHBondContact ND2-CH2 3.46Å; C32-W283 HydrophobicContact CB-CZ3 4.42Å; M34-W283 HydrophobicContact CE-CD2 4.36Å; M34-W283 HydrophobicContact CE-CE3 4.47Å; M34-W283 HydrophobicContact SD-CD2 3.82Å; M34-W283 HydrophobicContact SD-CE3 3.4Å; M34-W283 HydrophobicContact SD-CH2 4.27Å; M34-W283 HydrophobicContact SD-CZ3 3.67Å; T35-W283 VanDerWaalsContact CG2-O 3.26Å; T35-W283 WeakPolarHBondContact CG2-O 3.46Å; T35-W283 PolarHBondContact N-O 3.41Å; T35-W283 PolarHBondContact OG1-O 3.32Å; S98-W283 WeakPolarHBondContact OG-CB 3.25Å; L279-W283 VanDerWaalsContact O-CD1 3.31Å; L279-W283 PolarHBondContact O-NE1 2.82Å; S280-W283 CarbonylContact O-C 3.58Å; S280-W283 PolarHBondContact O-N 2.79Å; W283-K285 PolarHBondContact O-N 2.89Å
284C97.1Very high95.3Very high0 Ų024.1 Ų24.10%012%0.115CC..BIsolated β-bridgetrans-60.8110.2173.9-177.20000108.9C32 T276 S280 E286 L287 V288C32-C284 HydrophobicContact CB-CB 3.7Å; C32-C284 WeakPolarHBondContact CB-SG 3.4Å; C32-C284 WeakPolarHBondContact SG-CB 3.12Å; C32-C284 CovalentContact SG-SG 2.05Å; C32-C284 PolarHBondContact SG-SG 3.01Å; T276-C284 HydrophobicContact CG2-CB 3.72Å; S280-C284 VanDerWaalsContact O-CB 3.29Å; S280-C284 WeakPolarHBondContact O-CB 3.45Å; S280-C284 PolarHBondContact O-N 3.18Å; C284-E286 PolarHBondContact O-N 2.77Å; C284-E286 PolarHBondContact SG-OE2 2.88Å; C284-E286 VanDerWaalsContact SG-OE2 3.35Å; C284-L287 HydrophobicContact CB-CB 4.45Å; C284-L287 PolarHBondContact O-N 3.05Å; C284-L287 VanDerWaalsContact O-N 3.16Å; C284-V288 WeakPolarHBondContact O-CG2 3.41Å; C284-V288 PolarHBondContact O-N 3.15Å
285K96.5Very high95.5Very high93 Ų9323.3 Ų23.340%0.40411%0.11SC..Hα-helixtrans-56.3-39.1-170.5179.7-178.4179-178.30112.2S33 T35 W283 V288 L289S33-K285 WeakPolarHBondContact O-CB 3.33Å; S33-K285 PolarHBondContact O-N 2.86Å; T35-K285 HydrophobicContact CG2-CB 3.78Å; T35-K285 HydrophobicContact CG2-CG 4.19Å; W283-K285 PolarHBondContact O-N 2.89Å; K285-V288 PolarHBondContact O-N 2.73Å; K285-L289 HydrophobicContact CG-CD1 3.81Å; K285-L289 HydrophobicContact CG-CG 4.27Å; K285-L289 VanDerWaalsContact O-CB 3.27Å; K285-L289 WeakPolarHBondContact O-CB 3.3Å; K285-L289 WeakPolarHBondContact O-CG 3.39Å; K285-L289 PolarHBondContact O-N 3.09Å
286E95.6Very high95.6Very high38 Ų3822.7 Ų22.718%0.17811%0.105CC..Hα-helixtrans-61.3-48.8-179.2-6572.8-159.700111.6S33 T272 C284 A290S33-E286 WeakPolarHBondContact CB-OE1 3.45Å; S33-E286 PolarHBondContact N-OE1 2.73Å; S33-E286 PolarHBondContact N-OE2 3.2Å; S33-E286 PolarHBondContact OG-OE1 2.66Å; T272-E286 HydrophobicContact CG2-CB 3.95Å; C284-E286 PolarHBondContact O-N 2.77Å; C284-E286 PolarHBondContact SG-OE2 2.88Å; C284-E286 VanDerWaalsContact SG-OE2 3.35Å; E286-A290 PolarHBondContact O-N 2.85Å; E286-A290 VanDerWaalsContact O-N 3.09Å
287L96.9Very high95.6Very high0 Ų025 Ų250%012%0.118CC..Hα-helixtrans-70.1-40.4177.7-179.360.8000112.2V236 V266 V269 T272 I281 C284 L289 A290 T291 F321V236-L287 HydrophobicContact CG1-CD1 4.33Å; V236-L287 HydrophobicContact CG1-CD2 4.38Å; V266-L287 HydrophobicContact CG2-CB 4.41Å; V266-L287 HydrophobicContact CG2-CD1 4.42Å; V266-L287 HydrophobicContact CG2-CD2 4Å; V269-L287 HydrophobicContact CG1-CD1 4.47Å; T272-L287 HydrophobicContact CG2-CB 4.24Å; I281-L287 HydrophobicContact CD1-CD2 4.35Å; I281-L287 HydrophobicContact CG1-CD2 3.56Å; C284-L287 HydrophobicContact CB-CB 4.45Å; C284-L287 PolarHBondContact O-N 3.05Å; C284-L287 VanDerWaalsContact O-N 3.16Å; L287-L289 VanDerWaalsContact C-N 3.34Å; L287-L289 PolarHBondContact O-N 3.08Å; L287-A290 PolarHBondContact O-N 2.97Å; L287-T291 WeakPolarHBondContact O-CB 3.39Å; L287-T291 PolarHBondContact O-N 2.84Å; L287-T291 PolarHBondContact O-OG1 2.91Å; L287-F321 HydrophobicContact CD1-CE1 4.04Å
288V97.5Very high95.6Very high2 Ų223.6 Ų23.61%0.01211%0.11CC..Hα-helixtrans-61.6-44.2176.9173.20000110.2T35 V102 V282 C284 K285 A290 T291 V292T35-V288 HydrophobicContact CG2-CB 4.26Å; T35-V288 HydrophobicContact CG2-CG1 4.37Å; T35-V288 HydrophobicContact CG2-CG2 4.34Å; V102-V288 HydrophobicContact CB-CG1 3.88Å; V102-V288 HydrophobicContact CG1-CG1 4.19Å; V102-V288 HydrophobicContact CG2-CG1 3.81Å; V282-V288 WeakPolarHBondContact O-CG2 3.34Å; C284-V288 WeakPolarHBondContact O-CG2 3.41Å; C284-V288 PolarHBondContact O-N 3.15Å; K285-V288 PolarHBondContact O-N 2.73Å; V288-A290 PolarHBondContact O-N 2.83Å; V288-T291 PolarHBondContact O-N 2.82Å; V288-V292 HydrophobicContact CG1-CG2 4.34Å; V288-V292 WeakPolarHBondContact O-CG2 3.16Å; V288-V292 PolarHBondContact O-N 2.8Å
289L96.3Very high95.6Very high48 Ų4823.9 Ų23.925%0.25111%0.111SC..Hα-helixtrans-62.9-41.2175.8-75.9170.6000112.3V102 K285 L287 T291 R293V102-L289 HydrophobicContact CG1-CD2 3.66Å; V102-L289 HydrophobicContact CG1-CG 4.43Å; K285-L289 HydrophobicContact CG-CD1 3.81Å; K285-L289 HydrophobicContact CG-CG 4.27Å; K285-L289 VanDerWaalsContact O-CB 3.27Å; K285-L289 WeakPolarHBondContact O-CB 3.3Å; K285-L289 WeakPolarHBondContact O-CG 3.39Å; K285-L289 PolarHBondContact O-N 3.09Å; L287-L289 VanDerWaalsContact C-N 3.34Å; L287-L289 PolarHBondContact O-N 3.08Å; L289-T291 VanDerWaalsContact C-N 3.35Å; L289-R293 WeakPolarHBondContact O-CB 3.42Å; L289-R293 WeakPolarHBondContact O-CD 3.22Å; L289-R293 WeakPolarHBondContact O-CG 3.34Å; L289-R293 PolarHBondContact O-N 3.44Å
290A95.7Very high95.4Very high5 Ų522.5 Ų22.54%0.04111%0.105CC..Hα-helixtrans-61.8-44175.400000111.4V269 E286 L287 V288 A294V269-A290 HydrophobicContact CG1-CB 4.29Å; E286-A290 PolarHBondContact O-N 2.85Å; E286-A290 VanDerWaalsContact O-N 3.09Å; L287-A290 PolarHBondContact O-N 2.97Å; V288-A290 PolarHBondContact O-N 2.83Å; A290-A294 WeakPolarHBondContact O-CB 3.4Å; A290-A294 PolarHBondContact O-N 3.39Å
291T97.2Very high94.9Very high1 Ų125.9 Ų25.91%0.00613%0.133CC..Hα-helixtrans-65.1-47.1179.2-53.30000112L99 I193 L287 V288 L289 A294 F295L99-T291 HydrophobicContact CD1-CG2 4.26Å; I193-T291 HydrophobicContact CD1-CG2 4.1Å; L287-T291 WeakPolarHBondContact O-CB 3.39Å; L287-T291 PolarHBondContact O-N 2.84Å; L287-T291 PolarHBondContact O-OG1 2.91Å; V288-T291 PolarHBondContact O-N 2.82Å; L289-T291 VanDerWaalsContact C-N 3.35Å; T291-A294 WeakPolarHBondContact O-CB 3.15Å; T291-A294 PolarHBondContact O-N 2.99Å; T291-F295 HydrophobicContact CG2-CD2 4.39Å; T291-F295 HydrophobicContact CG2-CE1 4.38Å; T291-F295 HydrophobicContact CG2-CE2 3.81Å; T291-F295 HydrophobicContact CG2-CZ 3.8Å; T291-F295 WeakPolarHBondContact O-CG 3.28Å; T291-F295 PolarHBondContact O-N 3.18Å
292V97Very high94.4Very high2 Ų234.2 Ų34.21%0.01217%0.171CC..Hα-helixtrans-64.9-43.6179171.90000111L99 V102 A103 K106 V288 A294 F295 F296L99-V292 HydrophobicContact CD1-CG2 3.73Å; V102-V292 HydrophobicContact CB-CG2 4.23Å; V102-V292 HydrophobicContact CG1-CB 4.11Å; V102-V292 HydrophobicContact CG1-CG1 4.23Å; V102-V292 HydrophobicContact CG1-CG2 3.91Å; A103-V292 HydrophobicContact CB-CG1 4.35Å; A103-V292 HydrophobicContact CB-CG2 4.36Å; K106-V292 HydrophobicContact CB-CG1 4.02Å; K106-V292 HydrophobicContact CG-CG1 4.21Å; V288-V292 HydrophobicContact CG1-CG2 4.34Å; V288-V292 WeakPolarHBondContact O-CG2 3.16Å; V288-V292 PolarHBondContact O-N 2.8Å; V292-A294 VanDerWaalsContact C-N 3.31Å; V292-A294 PolarHBondContact O-N 2.98Å; V292-F295 WeakPolarHBondContact O-CB 3.39Å; V292-F295 PolarHBondContact O-N 3.2Å; V292-F295 VanDerWaalsContact O-N 3.11Å; V292-F296 HydrophobicContact CG1-CD2 3.77Å; V292-F296 HydrophobicContact CG1-CE2 3.67Å; V292-F296 WeakPolarHBondContact O-CD2 3.45Å; V292-F296 PolarHBondContact O-N 3.08Å
293R94.7Very high94Very high85 Ų8536 Ų3632%0.32118%0.183SC..Hα-helixtrans-58.3-44.3175.3-73.9169.2-177.8144.41111.6L289 F295 F296 D297L289-R293 WeakPolarHBondContact O-CB 3.42Å; L289-R293 WeakPolarHBondContact O-CD 3.22Å; L289-R293 WeakPolarHBondContact O-CG 3.34Å; L289-R293 PolarHBondContact O-N 3.44Å; R293-F295 VanDerWaalsContact C-N 3.33Å; R293-F295 PolarHBondContact O-N 3.02Å; R293-F296 PolarHBondContact O-N 2.69Å; R293-D297 PolarHBondContact O-N 2.82Å; R293-D297 VanDerWaalsContact O-N 3.08Å
294A95.6Very high93.8Very high0 Ų039.3 Ų39.30%020%0.195CC..Hα-helixtrans-59.4-42.9174.800000111.8A290 T291 V292 F296 D297 L298 V316 H320 F321A290-A294 WeakPolarHBondContact O-CB 3.4Å; A290-A294 PolarHBondContact O-N 3.39Å; T291-A294 WeakPolarHBondContact O-CB 3.15Å; T291-A294 PolarHBondContact O-N 2.99Å; V292-A294 VanDerWaalsContact C-N 3.31Å; V292-A294 PolarHBondContact O-N 2.98Å; A294-F296 PolarHBondContact O-N 3.1Å; A294-D297 PolarHBondContact O-N 3.41Å; A294-L298 WeakPolarHBondContact O-CG 3.18Å; A294-L298 PolarHBondContact O-N 2.91Å; A294-L298 VanDerWaalsContact O-N 3.08Å; A294-V316 HydrophobicContact CB-CG1 4.4Å; A294-H320 VanDerWaalsContact CA-CD2 3.49Å; A294-H320 WeakPolarHBondContact CA-CD2 3.46Å; A294-H320 HydrophobicContact CB-CB 4.06Å; A294-F321 HydrophobicContact CB-CE2 3.89Å
295F96.5Very high93.6Very high1 Ų140 Ų400%0.00420%0.198CC..Hα-helixtrans-60.1-45.7176.4-69.5-24.4000113.2V83 L99 L116 V164 V166 L191 I193 T291 V292 R293 D297 L298 I299 F306V83-F295 HydrophobicContact CG1-CE2 4.15Å; V83-F295 HydrophobicContact CG1-CZ 4.42Å; V83-F295 HydrophobicContact CG2-CE2 4.49Å; L99-F295 HydrophobicContact CD1-CE2 4.15Å; L99-F295 HydrophobicContact CD2-CE2 4.46Å; L116-F295 HydrophobicContact CD1-CB 3.83Å; L116-F295 HydrophobicContact CD1-CD2 3.91Å; L116-F295 HydrophobicContact CD1-CG 4.31Å; V164-F295 HydrophobicContact CG1-CE1 3.8Å; V164-F295 HydrophobicContact CG1-CZ 4.1Å; V166-F295 HydrophobicContact CG2-CE2 4.05Å; V166-F295 HydrophobicContact CG2-CZ 3.58Å; L191-F295 HydrophobicContact CD2-CE1 4.21Å; I193-F295 HydrophobicContact CD1-CD1 4.4Å; I193-F295 HydrophobicContact CD1-CE1 3.43Å; I193-F295 VanDerWaalsContact CD1-CE1 3.43Å; I193-F295 HydrophobicContact CD1-CZ 3.82Å; I193-F295 HydrophobicContact CG1-CE1 4.33Å; T291-F295 HydrophobicContact CG2-CD2 4.39Å; T291-F295 HydrophobicContact CG2-CE1 4.38Å; T291-F295 HydrophobicContact CG2-CE2 3.81Å; T291-F295 HydrophobicContact CG2-CZ 3.8Å; T291-F295 WeakPolarHBondContact O-CG 3.28Å; T291-F295 PolarHBondContact O-N 3.18Å; V292-F295 WeakPolarHBondContact O-CB 3.39Å; V292-F295 PolarHBondContact O-N 3.2Å; V292-F295 VanDerWaalsContact O-N 3.11Å; R293-F295 VanDerWaalsContact C-N 3.33Å; R293-F295 PolarHBondContact O-N 3.02Å; F295-D297 VanDerWaalsContact C-N 3.31Å; F295-D297 PolarHBondContact O-N 2.81Å; F295-L298 HydrophobicContact CD1-CD1 4.42Å; F295-L298 WeakPolarHBondContact O-CB 3.49Å; F295-L298 PolarHBondContact O-N 2.82Å; F295-L298 VanDerWaalsContact O-N 3.14Å; F295-I299 WeakPolarHBondContact O-CG1 3.24Å; F295-I299 PolarHBondContact O-N 3.25Å; F295-F306 HydrophobicContact CB-CE1 4.06Å; F295-F306 HydrophobicContact CB-CZ 4.37Å; F295-F306 HydrophobicContact CD1-CE1 4.09Å; F295-F306 HydrophobicContact CD1-CZ 4.44Å; F295-F306 HydrophobicContact CG-CE1 4.27Å; F295-F306 HydrophobicContact CG-CZ 4.4Å
296F94.7Very high93.5Very high6 Ų636.2 Ų36.23%0.02618%0.182CC..Hα-helixtrans-65.4-33.4178.2-81.4-85.8000112.9K106 A107 M110 V114 L116 V292 R293 A294 L298 I299K106-F296 HydrophobicContact CB-CD2 4.24Å; K106-F296 HydrophobicContact CB-CE2 3.64Å; K106-F296 HydrophobicContact CB-CZ 4.06Å; K106-F296 HydrophobicContact CG-CD2 3.5Å; K106-F296 HydrophobicContact CG-CE1 4.44Å; K106-F296 HydrophobicContact CG-CE2 3.39Å; K106-F296 HydrophobicContact CG-CG 4.11Å; K106-F296 HydrophobicContact CG-CZ 3.9Å; A107-F296 HydrophobicContact CB-CE1 4.31Å; A107-F296 HydrophobicContact CB-CZ 3.96Å; M110-F296 HydrophobicContact CE-CD1 4.09Å; M110-F296 HydrophobicContact CG-CD1 3.88Å; M110-F296 HydrophobicContact CG-CE1 3.79Å; M110-F296 HydrophobicContact SD-CD1 4.27Å; V114-F296 HydrophobicContact CG1-CD1 4.26Å; V114-F296 HydrophobicContact CG1-CE1 4.34Å; L116-F296 HydrophobicContact CD1-CE2 4.19Å; L116-F296 HydrophobicContact CG-CE2 4.38Å; L116-F296 HydrophobicContact CG-CZ 4.37Å; V292-F296 HydrophobicContact CG1-CD2 3.77Å; V292-F296 HydrophobicContact CG1-CE2 3.67Å; V292-F296 WeakPolarHBondContact O-CD2 3.45Å; V292-F296 PolarHBondContact O-N 3.08Å; R293-F296 PolarHBondContact O-N 2.69Å; A294-F296 PolarHBondContact O-N 3.1Å; F296-L298 VanDerWaalsContact C-N 3.26Å; F296-L298 PolarHBondContact O-N 3.44Å; F296-I299 HydrophobicContact CD1-CD1 4.13Å; F296-I299 PolarHBondContact O-N 3.12Å
297D93Very high93.4Very high49 Ų4935.5 Ų35.526%0.26218%0.18SC..Hα-helixtrans-74.6-15.9175.6-74.4-17.3000113.7R293 A294 F295 V316 H320R293-D297 PolarHBondContact O-N 2.82Å; R293-D297 VanDerWaalsContact O-N 3.08Å; A294-D297 PolarHBondContact O-N 3.41Å; F295-D297 VanDerWaalsContact C-N 3.31Å; F295-D297 PolarHBondContact O-N 2.81Å; D297-V316 HydrophobicContact CB-CG1 3.66Å; D297-V316 HydrophobicContact CB-CG2 4.34Å; D297-H320 IonicContact OD2-CD2 2.77Å; D297-H320 IonicContact OD2-CE1 3.68Å; D297-H320 PolarHBondContact OD2-CE1 3.27Å; D297-H320 IonicContact OD2-NE2 3.06Å; D297-H320 PolarHBondContact OD2-NE2 2.99Å
298L94.6Very high93Very high3 Ų340.3 Ų40.32%0.01621%0.206CC..Hα-helixtrans-89.2-12.8174.1-71170.9000113.5L191 A294 F295 F296 F306 T307 R313 V316L191-L298 HydrophobicContact CD2-CD1 3.56Å; A294-L298 WeakPolarHBondContact O-CG 3.18Å; A294-L298 PolarHBondContact O-N 2.91Å; A294-L298 VanDerWaalsContact O-N 3.08Å; F295-L298 HydrophobicContact CD1-CD1 4.42Å; F295-L298 WeakPolarHBondContact O-CB 3.49Å; F295-L298 PolarHBondContact O-N 2.82Å; F295-L298 VanDerWaalsContact O-N 3.14Å; F296-L298 VanDerWaalsContact C-N 3.26Å; F296-L298 PolarHBondContact O-N 3.44Å; L298-F306 HydrophobicContact CB-CD1 3.94Å; L298-F306 HydrophobicContact CB-CE1 4.35Å; L298-T307 HydrophobicContact CD2-CG2 4.15Å; L298-T307 WeakPolarHBondContact O-CG2 3.43Å; L298-T307 PolarHBondContact O-N 3.02Å; L298-R313 HydrophobicContact CD2-CB 4.24Å; L298-R313 HydrophobicContact CD2-CG 3.88Å; L298-V316 HydrophobicContact CD2-CB 3.71Å; L298-V316 HydrophobicContact CD2-CG1 3.99Å; L298-V316 HydrophobicContact CD2-CG2 3.95Å; L298-V316 HydrophobicContact CG-CB 4.17Å; L298-V316 HydrophobicContact CG-CG1 3.87Å
299I93.1Very high92.7Very high13 Ų1343.8 Ų43.87%0.06723%0.225CC..BIsolated β-bridgetrans-78.2128.6176.9-63.2165.8000109.2A81 V114 L116 F295 F296 Q305 F306A81-I299 HydrophobicContact CB-CD1 4.49Å; A81-I299 HydrophobicContact CB-CG1 4.43Å; V114-I299 HydrophobicContact CG1-CB 4.25Å; V114-I299 HydrophobicContact CG1-CD1 3.58Å; V114-I299 HydrophobicContact CG1-CG2 3.73Å; L116-I299 HydrophobicContact CD2-CD1 3.65Å; L116-I299 HydrophobicContact CD2-CG1 4.42Å; L116-I299 HydrophobicContact CG-CD1 4.5Å; F295-I299 WeakPolarHBondContact O-CG1 3.24Å; F295-I299 PolarHBondContact O-N 3.25Å; F296-I299 HydrophobicContact CD1-CD1 4.13Å; F296-I299 PolarHBondContact O-N 3.12Å; I299-Q305 WeakPolarHBondContact CA-O 3.32Å; I299-F306 HydrophobicContact CG1-CD1 4.43Å; I299-F306 HydrophobicContact CG1-CE1 4.36Å
300D89.2Confident92.5Very high61 Ų6143.2 Ų43.233%0.32622%0.224SC..  trans-75.4127.9169.6-177-15.9000109.7Q302 R304 Q305D300-Q302 PolarHBondContact O-N 2.75Å; D300-Q302 PolarHBondContact OD1-N 3.3Å; D300-R304 WeakPolarHBondContact O-CA 3.38Å; D300-R304 PolarHBondContact O-N 3.35Å; D300-Q305 PolarHBondContact N-O 3.13Å
301A84.2Confident92.3Very high71 Ų7147.4 Ų47.459%0.58724%0.242SC*.THydrogen-bonded Turntrans-63.3-28.6-17900000113.1
302Q85.2Confident92Very high175 Ų17551.1 Ų51.182%0.81826%0.256SS*.THydrogen-bonded Turntrans-79.2-49.8-178.4-62.8-173.91.900111.7D300D300-Q302 PolarHBondContact O-N 2.75Å; D300-Q302 PolarHBondContact OD1-N 3.3Å
303T88.4Confident91.9Very high49 Ų4951.5 Ų51.530%0.30126%0.258SS..THydrogen-bonded Turntrans-84-20.1-177.167.10000112.6Q305T303-Q305 PolarHBondContact O-N 3.41Å; T303-Q305 PolarHBondContact OG1-N 3.13Å
304R90.7Very high91.8Very high123 Ų12350.6 Ų50.646%0.46425%0.254SS..SBendtrans58.120.4-169.7-51.6178.6-176.6170-1.9113G112 V114 D300G112-R304 PolarHBondContact O-NE 2.82Å; V114-R304 HydrophobicContact CG2-CG 4.42Å; D300-R304 WeakPolarHBondContact O-CA 3.38Å; D300-R304 PolarHBondContact O-N 3.35Å
305Q93.3Very high91.6Very high14 Ų1453.2 Ų53.27%0.06527%0.273CS..SBendtrans-117.3166.7178.2-59-53.4-42.400110.4P160 I299 D300 T303P160-Q305 HydrophobicContact CB-CG 4.29Å; I299-Q305 WeakPolarHBondContact CA-O 3.32Å; D300-Q305 PolarHBondContact N-O 3.13Å; T303-Q305 PolarHBondContact O-N 3.41Å; T303-Q305 PolarHBondContact OG1-N 3.13Å
306F94.3Very high91.4Very high14 Ų1453.2 Ų53.26%0.06127%0.272CS..BIsolated β-bridgetrans-60.8141.4173.8-71.6-74.9000111.3A81 V83 L116 V164 F295 L298 I299A81-F306 HydrophobicContact CB-CD2 3.76Å; A81-F306 HydrophobicContact CB-CE2 3.6Å; A81-F306 HydrophobicContact CB-CZ 4.29Å; V83-F306 HydrophobicContact CG2-CE2 3.69Å; V83-F306 HydrophobicContact CG2-CZ 3.55Å; L116-F306 HydrophobicContact CD2-CE1 4.43Å; L116-F306 HydrophobicContact CD2-CE2 4.19Å; L116-F306 HydrophobicContact CD2-CZ 3.66Å; V164-F306 HydrophobicContact CB-CD2 4.32Å; V164-F306 HydrophobicContact CB-CE2 4.01Å; V164-F306 HydrophobicContact CB-CZ 4.24Å; V164-F306 HydrophobicContact CG2-CB 4.27Å; V164-F306 HydrophobicContact CG2-CD1 3.88Å; V164-F306 HydrophobicContact CG2-CD2 3.37Å; V164-F306 HydrophobicContact CG2-CE1 4Å; V164-F306 HydrophobicContact CG2-CE2 3.51Å; V164-F306 HydrophobicContact CG2-CG 3.56Å; V164-F306 HydrophobicContact CG2-CZ 3.83Å; F295-F306 HydrophobicContact CB-CE1 4.06Å; F295-F306 HydrophobicContact CB-CZ 4.37Å; F295-F306 HydrophobicContact CD1-CE1 4.09Å; F295-F306 HydrophobicContact CD1-CZ 4.44Å; F295-F306 HydrophobicContact CG-CE1 4.27Å; F295-F306 HydrophobicContact CG-CZ 4.4Å; L298-F306 HydrophobicContact CB-CD1 3.94Å; L298-F306 HydrophobicContact CB-CE1 4.35Å; I299-F306 HydrophobicContact CG1-CD1 4.43Å; I299-F306 HydrophobicContact CG1-CE1 4.36Å
307T92.9Very high91.4Very high24 Ų2452.9 Ų52.915%0.14727%0.271CS..  trans-65.3134.9177.2-172.60000112.4L298 D309 R312 R313L298-T307 HydrophobicContact CD2-CG2 4.15Å; L298-T307 WeakPolarHBondContact O-CG2 3.43Å; L298-T307 PolarHBondContact O-N 3.02Å; T307-D309 VanDerWaalsContact C-N 3.33Å; T307-D309 PolarHBondContact OG1-N 3.07Å; T307-R312 HydrophobicContact CG2-CB 4.18Å; T307-R312 HydrophobicContact CG2-CG 3.94Å; T307-R313 HydrophobicContact CG2-CG 3.88Å
308D89.4Confident91.4Very high101 Ų10153.2 Ų53.254%0.5427%0.273SS..  trans-80.9-16174.1-68.8-42.5000112.4P310 R313D308-P310 WeakPolarHBondContact O-CD 3.44Å; D308-R313 PolarHBondContact O-NH2 3.08Å
309D91.5Very high91.2Very high75 Ų7554 Ų5440%0.40128%0.276SS..  trans-69.7115.8-177.9176.422.1000111.6T307 E311 R312 R313T307-D309 VanDerWaalsContact C-N 3.33Å; T307-D309 PolarHBondContact OG1-N 3.07Å; D309-E311 VanDerWaalsContact C-N 3.27Å; D309-E311 PolarHBondContact O-N 3.13Å; D309-E311 WeakPolarHBondContact OD1-CB 3.44Å; D309-E311 PolarHBondContact OD1-N 2.9Å; D309-R312 HydrophobicContact CB-CB 3.99Å; D309-R312 VanDerWaalsContact OD2-CB 3.27Å; D309-R312 WeakPolarHBondContact OD2-CB 3.44Å; D309-R312 PolarHBondContact OD2-N 3.05Å; D309-R313 WeakPolarHBondContact O-CG 3.41Å; D309-R313 PolarHBondContact O-N 2.99Å; D309-R313 VanDerWaalsContact O-N 3.11Å; D309-R313 PolarHBondContact O-NE 2.81Å
310P90.9Very high91.2Very high36 Ų3653.8 Ų53.823%0.23428%0.275CS..Hα-helixtrans-64.1-30.9177.526.8-34.4000112.9D308 R313 R314D308-P310 WeakPolarHBondContact O-CD 3.44Å; P310-R313 PolarHBondContact O-N 2.94Å; P310-R314 WeakPolarHBondContact O-CB 3.36Å; P310-R314 PolarHBondContact O-N 2.82Å
311E92Very high91.4Very high92 Ų9251 Ų5143%0.4326%0.26SS..Hα-helixtrans-70.8-46.1-178.6-74.3-63.8153.800111.1D309 R313 R314 S315D309-E311 VanDerWaalsContact C-N 3.27Å; D309-E311 PolarHBondContact O-N 3.13Å; D309-E311 WeakPolarHBondContact OD1-CB 3.44Å; D309-E311 PolarHBondContact OD1-N 2.9Å; E311-R313 VanDerWaalsContact C-N 3.33Å; E311-R313 PolarHBondContact O-N 3.36Å; E311-R314 PolarHBondContact O-N 3.15Å; E311-R314 IonicContact OE1-CZ 3.3Å; E311-R314 VanDerWaalsContact OE1-CZ 3.27Å; E311-R314 IonicContact OE1-NH1 3.86Å; E311-R314 PolarHBondContact OE1-NH1 3.02Å; E311-R314 VanDerWaalsContact OE1-NH1 3.14Å; E311-R314 IonicContact OE1-NH2 2.88Å; E311-R314 PolarHBondContact OE1-NH2 2.99Å; E311-R314 VanDerWaalsContact OE1-NH2 3.15Å; E311-R314 IonicContact OE2-CZ 2.67Å; E311-R314 IonicContact OE2-NE 3.71Å; E311-R314 PolarHBondContact OE2-NE 3.21Å; E311-R314 IonicContact OE2-NH1 3.78Å; E311-R314 IonicContact OE2-NH2 2.72Å; E311-R314 PolarHBondContact OE2-NH2 2.86Å; E311-S315 WeakPolarHBondContact O-CB 3.34Å; E311-S315 PolarHBondContact O-N 2.55Å
312R91.9Very high91.7Very high79 Ų7950 Ų5030%0.29824%0.244SC..Hα-helixtrans-57.6-45170.4-175.262.3-177.3179.83.4111.8T307 D309 R314 S315 V316T307-R312 HydrophobicContact CG2-CB 4.18Å; T307-R312 HydrophobicContact CG2-CG 3.94Å; D309-R312 HydrophobicContact CB-CB 3.99Å; D309-R312 VanDerWaalsContact OD2-CB 3.27Å; D309-R312 WeakPolarHBondContact OD2-CB 3.44Å; D309-R312 PolarHBondContact OD2-N 3.05Å; R312-R314 PolarHBondContact O-N 2.88Å; R312-S315 PolarHBondContact O-N 3.19Å; R312-V316 WeakPolarHBondContact O-CG2 3.49Å; R312-V316 PolarHBondContact O-N 3.19Å
313R93.9Very high91.7Very high11 Ų1147 Ų474%0.04223%0.226CC..Hα-helixtrans-55.9-51.2176.7-79.4179.3-78.4151.9-4.8111.6S190 N230 T232 L298 T307 D308 D309 P310 E311 S315 V316 L317S190-R313 PolarHBondContact O-NH1 2.89Å; N230-R313 PolarHBondContact O-NH1 2.84Å; N230-R313 PolarHBondContact O-NH2 3.25Å; T232-R313 PolarHBondContact OG1-NH1 3.31Å; L298-R313 HydrophobicContact CD2-CB 4.24Å; L298-R313 HydrophobicContact CD2-CG 3.88Å; T307-R313 HydrophobicContact CG2-CG 3.88Å; D308-R313 PolarHBondContact O-NH2 3.08Å; D309-R313 WeakPolarHBondContact O-CG 3.41Å; D309-R313 PolarHBondContact O-N 2.99Å; D309-R313 VanDerWaalsContact O-N 3.11Å; D309-R313 PolarHBondContact O-NE 2.81Å; P310-R313 PolarHBondContact O-N 2.94Å; E311-R313 VanDerWaalsContact C-N 3.33Å; E311-R313 PolarHBondContact O-N 3.36Å; R313-S315 PolarHBondContact O-N 3.28Å; R313-V316 PolarHBondContact O-N 2.93Å; R313-L317 WeakPolarHBondContact O-CG 3.45Å; R313-L317 PolarHBondContact O-N 2.75Å
314R91.9Very high91.6Very high66 Ų6645.2 Ų45.225%0.24921%0.214CC..Hα-helixtrans-59-46.3178.3-178.6177.171.8-169.314.2112.3P310 E311 R312 V316 L317 N318P310-R314 WeakPolarHBondContact O-CB 3.36Å; P310-R314 PolarHBondContact O-N 2.82Å; E311-R314 PolarHBondContact O-N 3.15Å; E311-R314 IonicContact OE1-CZ 3.3Å; E311-R314 VanDerWaalsContact OE1-CZ 3.27Å; E311-R314 IonicContact OE1-NH1 3.86Å; E311-R314 PolarHBondContact OE1-NH1 3.02Å; E311-R314 VanDerWaalsContact OE1-NH1 3.14Å; E311-R314 IonicContact OE1-NH2 2.88Å; E311-R314 PolarHBondContact OE1-NH2 2.99Å; E311-R314 VanDerWaalsContact OE1-NH2 3.15Å; E311-R314 IonicContact OE2-CZ 2.67Å; E311-R314 IonicContact OE2-NE 3.71Å; E311-R314 PolarHBondContact OE2-NE 3.21Å; E311-R314 IonicContact OE2-NH1 3.78Å; E311-R314 IonicContact OE2-NH2 2.72Å; E311-R314 PolarHBondContact OE2-NH2 2.86Å; R312-R314 PolarHBondContact O-N 2.88Å; R314-V316 PolarHBondContact O-N 2.83Å; R314-L317 PolarHBondContact O-N 2.96Å; R314-N318 WeakPolarHBondContact O-CB 3.18Å; R314-N318 PolarHBondContact O-N 3.27Å
315S91.6Very high91.1Very high55 Ų5540 Ų4039%0.38520%0.196SC..Hα-helixtrans-60-45-179.6-1750000112.2E311 R312 R313 N318 H319E311-S315 WeakPolarHBondContact O-CB 3.34Å; E311-S315 PolarHBondContact O-N 2.55Å; R312-S315 PolarHBondContact O-N 3.19Å; R313-S315 PolarHBondContact O-N 3.28Å; S315-N318 PolarHBondContact O-N 3.23Å; S315-H319 WeakPolarHBondContact O-CB 3.31Å; S315-H319 PolarHBondContact O-N 2.98Å
316V93.4Very high90.3Very high0 Ų041.2 Ų41.20%020%0.204CC..Hα-helixtrans-67-42.3178.1178.10000111.9A294 D297 L298 R312 R313 R314 H319 H320 L329A294-V316 HydrophobicContact CB-CG1 4.4Å; D297-V316 HydrophobicContact CB-CG1 3.66Å; D297-V316 HydrophobicContact CB-CG2 4.34Å; L298-V316 HydrophobicContact CD2-CB 3.71Å; L298-V316 HydrophobicContact CD2-CG1 3.99Å; L298-V316 HydrophobicContact CD2-CG2 3.95Å; L298-V316 HydrophobicContact CG-CB 4.17Å; L298-V316 HydrophobicContact CG-CG1 3.87Å; R312-V316 WeakPolarHBondContact O-CG2 3.49Å; R312-V316 PolarHBondContact O-N 3.19Å; R313-V316 PolarHBondContact O-N 2.93Å; R314-V316 PolarHBondContact O-N 2.83Å; V316-H319 WeakPolarHBondContact O-CB 3.34Å; V316-H319 PolarHBondContact O-N 2.76Å; V316-H320 PolarHBondContact O-CD2 3.41Å; V316-H320 PolarHBondContact O-N 3.41Å; V316-H320 VanDerWaalsContact O-N 3.1Å; V316-L329 HydrophobicContact CB-CD1 4.38Å; V316-L329 HydrophobicContact CG2-CD1 4.04Å; V316-L329 HydrophobicContact CG2-CD2 4.4Å
317L94.3Very high89.4Confident0 Ų041.5 Ų41.50%021%0.205CC..Hα-helixtrans-66.2-41.1177.2-65.5-177.7000112L191 T232 L234 L262 R313 R314 H319 H320 F321L191-L317 HydrophobicContact CD1-CD1 3.97Å; T232-L317 HydrophobicContact CG2-CD1 3.44Å; T232-L317 VanDerWaalsContact CG2-CD1 3.44Å; L234-L317 HydrophobicContact CB-CD1 4.39Å; L234-L317 HydrophobicContact CD2-CD2 4.17Å; L262-L317 HydrophobicContact CD1-CB 4.34Å; R313-L317 WeakPolarHBondContact O-CG 3.45Å; R313-L317 PolarHBondContact O-N 2.75Å; R314-L317 PolarHBondContact O-N 2.96Å; L317-H319 VanDerWaalsContact C-N 3.27Å; L317-H319 PolarHBondContact O-N 2.85Å; L317-H320 PolarHBondContact O-N 2.72Å; L317-F321 HydrophobicContact CD2-CD2 4.15Å; L317-F321 HydrophobicContact CD2-CE2 4.07Å; L317-F321 WeakPolarHBondContact O-CB 3.32Å; L317-F321 PolarHBondContact O-N 2.78Å
318N92.1Very high88.2Confident56 Ų5644.1 Ų44.130%0.29922%0.221SC..Hα-helixtrans-60-40.3174.9-73.2-10.8000111.3R314 S315 I322 R323R314-N318 WeakPolarHBondContact O-CB 3.18Å; R314-N318 PolarHBondContact O-N 3.27Å; S315-N318 PolarHBondContact O-N 3.23Å; N318-I322 HydrophobicContact CB-CD1 4.3Å; N318-I322 WeakPolarHBondContact O-CB 3.29Å; N318-I322 PolarHBondContact O-N 3.3Å; N318-I322 VanDerWaalsContact O-N 3.09Å; N318-I322 WeakPolarHBondContact OD1-CD1 3.3Å; N318-R323 PolarHBondContact O-N 2.88Å
319H91.3Very high86.9Confident18 Ų1840.2 Ų40.28%0.08320%0.199CC..Hα-helixtrans-62.3-47.9177.6178.991.1000113.1S315 V316 L317 R323 H324 P325 R327 L329S315-H319 WeakPolarHBondContact O-CB 3.31Å; S315-H319 PolarHBondContact O-N 2.98Å; V316-H319 WeakPolarHBondContact O-CB 3.34Å; V316-H319 PolarHBondContact O-N 2.76Å; L317-H319 VanDerWaalsContact C-N 3.27Å; L317-H319 PolarHBondContact O-N 2.85Å; H319-R323 CarbonylContact C-O 3.59Å; H319-R323 WeakPolarHBondContact CA-O 3.44Å; H319-R323 CarbonylContact O-C 3.58Å; H319-H324 AromaticContact NE2-CD2 3.81Å; H319-H324 AromaticContact NE2-CE1 3.99Å; H319-H324 AromaticContact NE2-NE2 3.72Å; H319-H324 WeakPolarHBondContact O-CA 3.33Å; H319-P325 WeakPolarHBondContact ND1-CD 3.41Å; H319-R327 PolarHBondContact CE1-O 2.96Å; H319-L329 HydrophobicContact CB-CD1 3.56Å; H319-L329 VanDerWaalsContact CG-CD1 3.47Å
320H93.1Very high85.4Confident10 Ų1044.9 Ų44.95%0.04621%0.211CC..Hα-helixtrans-85.1-30.4-174.7-73.2-69.6000114.1A294 D297 V316 L317A294-H320 VanDerWaalsContact CA-CD2 3.49Å; A294-H320 WeakPolarHBondContact CA-CD2 3.46Å; A294-H320 HydrophobicContact CB-CB 4.06Å; D297-H320 IonicContact OD2-CD2 2.77Å; D297-H320 IonicContact OD2-CE1 3.68Å; D297-H320 PolarHBondContact OD2-CE1 3.27Å; D297-H320 IonicContact OD2-NE2 3.06Å; D297-H320 PolarHBondContact OD2-NE2 2.99Å; V316-H320 PolarHBondContact O-CD2 3.41Å; V316-H320 PolarHBondContact O-N 3.41Å; V316-H320 VanDerWaalsContact O-N 3.1Å; L317-H320 PolarHBondContact O-N 2.72Å
321F93.3Very high83.6Confident3 Ų346.4 Ų46.41%0.01322%0.218CC..Hα-helixtrans-113.3-16.7-170.3-67.9-89.9000115.3L234 V236 L264 V269 L287 A294 L317L234-F321 HydrophobicContact CD2-CB 4.45Å; L234-F321 HydrophobicContact CD2-CD1 3.79Å; L234-F321 HydrophobicContact CD2-CD2 3.61Å; L234-F321 HydrophobicContact CD2-CE1 3.8Å; L234-F321 HydrophobicContact CD2-CE2 3.62Å; L234-F321 HydrophobicContact CD2-CG 3.69Å; L234-F321 HydrophobicContact CD2-CZ 3.72Å; V236-F321 HydrophobicContact CG2-CD1 4.32Å; V236-F321 HydrophobicContact CG2-CE1 4.3Å; L264-F321 HydrophobicContact CD2-CB 4.12Å; V269-F321 HydrophobicContact CG1-CD1 3.98Å; V269-F321 HydrophobicContact CG1-CE1 4.5Å; V269-F321 HydrophobicContact CG2-CD1 4Å; L287-F321 HydrophobicContact CD1-CE1 4.04Å; A294-F321 HydrophobicContact CB-CE2 3.89Å; L317-F321 HydrophobicContact CD2-CD2 4.15Å; L317-F321 HydrophobicContact CD2-CE2 4.07Å; L317-F321 WeakPolarHBondContact O-CB 3.32Å; L317-F321 PolarHBondContact O-N 2.78Å
322I89.6Confident81.8Confident49 Ų4945.9 Ų45.925%0.25122%0.221SC..THydrogen-bonded Turntrans-113.2-57.1-179.5-55.4179.7000111.2L262 N318L262-I322 HydrophobicContact CD1-CD1 4.45Å; L262-I322 HydrophobicContact CD2-CD1 4.31Å; N318-I322 HydrophobicContact CB-CD1 4.3Å; N318-I322 WeakPolarHBondContact O-CB 3.29Å; N318-I322 PolarHBondContact O-N 3.3Å; N318-I322 VanDerWaalsContact O-N 3.09Å; N318-I322 WeakPolarHBondContact OD1-CD1 3.3Å
323R86.1Confident79.9Confident113 Ų11351.3 Ų51.343%0.42625%0.246SC..  trans-145.4118.4-175.5-174.7-175.6-175.7166.59.5109.9N318 H319 P325 G414 E416N318-R323 PolarHBondContact O-N 2.88Å; H319-R323 CarbonylContact C-O 3.59Å; H319-R323 WeakPolarHBondContact CA-O 3.44Å; H319-R323 CarbonylContact O-C 3.58Å; R323-P325 WeakPolarHBondContact O-CD 3.5Å; R323-G414 VanDerWaalsContact NH2-C 3.28Å; R323-G414 PolarHBondContact NH2-O 3.44Å; R323-E416 HydrophobicContact CG-CG 4.39Å
324H85.6Confident77.9Confident11 Ų1156.3 Ų56.35%0.05127%0.274CS..  trans-102.2101.5-179.4-172.4-60.3000110.8P270 R271 H319 V326 L417P270-H324 HydrophobicContact CB-CB 3.61Å; P270-H324 HydrophobicContact CG-CB 4.03Å; R271-H324 PolarHBondContact NE-NE2 2.68Å; R271-H324 PolarHBondContact NH2-CE1 2.83Å; R271-H324 PolarHBondContact NH2-NE2 2.98Å; H319-H324 AromaticContact NE2-CD2 3.81Å; H319-H324 AromaticContact NE2-CE1 3.99Å; H319-H324 AromaticContact NE2-NE2 3.72Å; H319-H324 WeakPolarHBondContact O-CA 3.33Å; H324-V326 WeakPolarHBondContact ND1-CA 3.49Å; H324-V326 PolarHBondContact ND1-N 3.4Å; H324-V326 PolarHBondContact O-N 3.27Å; H324-V326 VanDerWaalsContact O-N 3.12Å; H324-L417 HydrophobicContact CB-CB 4.38Å; H324-L417 WeakPolarHBondContact O-CB 3.33Å; H324-L417 PolarHBondContact O-N 3.32Å
325P80.8Confident76.4Confident14 Ų1458.1 Ų58.19%0.09129%0.293CS..  trans-75.18.1-177.531.7-38.8000115.6H319 R323 R327 T415H319-P325 WeakPolarHBondContact ND1-CD 3.41Å; R323-P325 WeakPolarHBondContact O-CD 3.5Å; P325-R327 PolarHBondContact O-N 3.46Å; P325-T415 VanDerWaalsContact CA-O 3.3Å; P325-T415 WeakPolarHBondContact CA-O 3.43Å
326V76.9Confident74.8Confident38 Ų3859.4 Ų59.423%0.2330%0.301CS..SBendtrans71-30.6-179.5-173.30000113.5H324 T415 L417 K422H324-V326 WeakPolarHBondContact ND1-CA 3.49Å; H324-V326 PolarHBondContact ND1-N 3.4Å; H324-V326 PolarHBondContact O-N 3.27Å; H324-V326 VanDerWaalsContact O-N 3.12Å; V326-T415 HydrophobicContact CG2-CG2 4.35Å; V326-L417 HydrophobicContact CG2-CB 4.12Å; V326-L417 HydrophobicContact CG2-CD1 4.08Å; V326-K422 HydrophobicContact CG2-CB 4.18Å; V326-K422 HydrophobicContact CG2-CD 4.34Å
327R75.3Confident73.6Confident21 Ų2161.8 Ų61.88%0.07932%0.316CS..SBendtrans-68.2146.8172.3-167.8176-175.9158.52.1112.4H319 P325 D331 D410H319-R327 PolarHBondContact CE1-O 2.96Å; P325-R327 PolarHBondContact O-N 3.46Å; R327-D331 HydrophobicContact CG-CB 3.8Å; R327-D331 VanDerWaalsContact NE-CB 3.29Å; R327-D331 PolarHBondContact NE-O 2.93Å; R327-D331 PolarHBondContact NH2-O 2.9Å; R327-D410 IonicContact CZ-OD2 3.71Å; R327-D410 IonicContact NH1-OD2 3.6Å; R327-D410 PolarHBondContact NH1-OD2 3.2Å
328T67.3Low72Confident79 Ų7967 Ų6749%0.48535%0.35SS..  trans-78.3146.8174.879.10000110.6R330 D331T328-R330 PolarHBondContact O-N 3.02Å; T328-D331 WeakPolarHBondContact CB-OD2 3.26Å; T328-D331 PolarHBondContact N-OD2 2.77Å; T328-D331 PolarHBondContact O-N 2.94Å; T328-D331 VanDerWaalsContact O-N 3.11Å; T328-D331 PolarHBondContact OG1-OD1 3.33Å; T328-D331 PolarHBondContact OG1-OD2 2.87Å
329L63.1Low70.9Confident18 Ų1865.1 Ų65.19%0.09434%0.34CS..THydrogen-bonded Turntrans-62.9-11.7-179.9-106.2139.2000114.3V316 H319V316-L329 HydrophobicContact CB-CD1 4.38Å; V316-L329 HydrophobicContact CG2-CD1 4.04Å; V316-L329 HydrophobicContact CG2-CD2 4.4Å; H319-L329 HydrophobicContact CB-CD1 3.56Å; H319-L329 VanDerWaalsContact CG-CD1 3.47Å
330R58.3Low69.6Low173 Ų17370 Ų7065%0.65337%0.366SS*.THydrogen-bonded Turntrans-85.9-21.7177.7-67-175.9-179.9-173.1-0.9112.6T328 V332T328-R330 PolarHBondContact O-N 3.02Å; R330-V332 PolarHBondContact O-N 2.93Å
331D54.1Low68.2Low69 Ų6973.9 Ų73.937%0.36939%0.387SS..G310 helixtrans-79.11.1-175.2-56.6-33.8000113.5R327 T328 K333R327-D331 HydrophobicContact CG-CB 3.8Å; R327-D331 VanDerWaalsContact NE-CB 3.29Å; R327-D331 PolarHBondContact NE-O 2.93Å; R327-D331 PolarHBondContact NH2-O 2.9Å; T328-D331 WeakPolarHBondContact CB-OD2 3.26Å; T328-D331 PolarHBondContact N-OD2 2.77Å; T328-D331 PolarHBondContact O-N 2.94Å; T328-D331 VanDerWaalsContact O-N 3.11Å; T328-D331 PolarHBondContact OG1-OD1 3.33Å; T328-D331 PolarHBondContact OG1-OD2 2.87Å; D331-K333 PolarHBondContact O-N 3.24Å; D331-K333 VanDerWaalsContact O-N 3.09Å
332V53.8Low67Low81 Ų8176.5 Ų76.549%0.49140%0.403SS..G310 helixtrans-69.4-6.8-169.1-178.60000113.9R330R330-V332 PolarHBondContact O-N 2.93Å
333K52.3Low65.9Low192 Ų19279.3 Ų79.384%0.83542%0.424SS*.G310 helixtrans-77.3-21.4-169.3-81-175.6173.5-176.40116.1D331D331-K333 PolarHBondContact O-N 3.24Å; D331-K333 VanDerWaalsContact O-N 3.09Å
334D52.7Low65.1Low116 Ų11682 Ų8262%0.6244%0.442SS*.  trans-113.9114.2-177-63.1-30.9000112
335T58.8Low64.7Low105 Ų10581.7 Ų81.764%0.64444%0.441SS*.SBendtrans-94.8-28.3-179.532.70000113V409 D410T335-V409 WeakPolarHBondContact O-CA 3.4Å; T335-D410 PolarHBondContact O-N 3.24Å
336S59.5Low64.8Low81 Ų8182 Ų8257%0.56644%0.44SS*.EExtended strand (participates in β ladder)trans-109.1121.2174.760.50000110.3
337V66.8Low65.1Low50 Ų5081.9 Ų81.930%0.30344%0.441SS..EExtended strand (participates in β ladder)trans-117122.8179.6-175.10000108.8I339 A408V337-I339 PolarHBondContact O-N 3.03Å; V337-A408 PolarHBondContact N-O 3.15Å; V337-A408 VanDerWaalsContact N-O 3.12Å
338P62.5Low65.5Low109 Ų10985.3 Ų85.371%0.70846%0.458SS*.EExtended strand (participates in β ladder)trans-66123.1169.826.9-30.9000108.7
339I67.2Low66.2Low18 Ų1882.2 Ų82.29%0.09244%0.439CS..PPolyproline II helixtrans-89.3135.1174.4-59.4178.2000107.9V337 D341 W346 Y366 F395 A408 V438V337-I339 PolarHBondContact O-N 3.03Å; I339-D341 PolarHBondContact O-N 3.24Å; I339-D341 VanDerWaalsContact O-N 3.16Å; I339-W346 HydrophobicContact CB-CH2 4.42Å; I339-W346 HydrophobicContact CB-CZ2 4.35Å; I339-W346 HydrophobicContact CD1-CH2 4.24Å; I339-W346 HydrophobicContact CG2-CH2 3.77Å; I339-W346 HydrophobicContact CG2-CZ2 3.57Å; I339-Y366 HydrophobicContact CG2-CD1 4.41Å; I339-Y366 HydrophobicContact CG2-CD2 4.44Å; I339-Y366 HydrophobicContact CG2-CE1 3.92Å; I339-Y366 HydrophobicContact CG2-CE2 3.94Å; I339-F395 HydrophobicContact CD1-CB 4.31Å; I339-F395 HydrophobicContact CD1-CD2 4.23Å; I339-F395 HydrophobicContact CD1-CG 4.17Å; I339-A408 HydrophobicContact CD1-CB 3.41Å; I339-A408 VanDerWaalsContact CD1-CB 3.41Å; I339-A408 HydrophobicContact CG1-CB 3.96Å; I339-V438 HydrophobicContact CD1-CG1 4.38Å
340L64.4Low67.1Low120 Ų12086.5 Ų86.563%0.62846%0.462SS*.PPolyproline II helixtrans-59.5116174.5-80.8141.3000110V342L340-V342 VanDerWaalsContact C-N 3.34Å; L340-V342 HydrophobicContact CB-CG2 4.44Å; L340-V342 PolarHBondContact O-N 2.84Å; L340-V342 VanDerWaalsContact O-N 3.07Å
341D63.2Low68.2Low91 Ų9181 Ų8149%0.48745%0.45SS..  trans-84.277.6178.7-160.73.7000110.7I339 W346 S404I339-D341 PolarHBondContact O-N 3.24Å; I339-D341 VanDerWaalsContact O-N 3.16Å; D341-W346 PolarHBondContact OD1-NE1 3.19Å; D341-S404 WeakPolarHBondContact OD1-CB 3.26Å; D341-S404 PolarHBondContact OD1-OG 3.22Å; D341-S404 PolarHBondContact OD2-OG 2.86Å; D341-S404 VanDerWaalsContact OD2-OG 3.07Å
342V69.5Low69.5Low59 Ų5981.5 Ų81.536%0.35845%0.453SS..  trans-104.6108.1173.5-176.60000108.2L340 E344 A345L340-V342 VanDerWaalsContact C-N 3.34Å; L340-V342 HydrophobicContact CB-CG2 4.44Å; L340-V342 PolarHBondContact O-N 2.84Å; L340-V342 VanDerWaalsContact O-N 3.07Å; V342-E344 VanDerWaalsContact C-N 3.25Å; V342-E344 PolarHBondContact O-N 2.93Å; V342-E344 VanDerWaalsContact O-N 3.12Å; V342-A345 HydrophobicContact CB-CB 4.24Å; V342-A345 WeakPolarHBondContact O-CB 3.42Å; V342-A345 PolarHBondContact O-N 2.88Å
343P65.4Low71Confident107 Ų10780.3 Ų80.370%0.69544%0.439SS*.G310 helixtrans-54.2-37.4-171.8-27.633.8000114.3A345 W346P343-A345 PolarHBondContact O-N 3.2Å; P343-W346 PolarHBondContact O-N 2.95Å
344E69.3Low72.7Confident170 Ų17072 Ų7279%0.79440%0.403SS*.G310 helixtrans-68.6-19.2-179.1-63.7171.218000113.6V342V342-E344 VanDerWaalsContact C-N 3.25Å; V342-E344 PolarHBondContact O-N 2.93Å; V342-E344 VanDerWaalsContact O-N 3.12Å
345A77.8Confident74.3Confident4 Ų470 Ų703%0.03340%0.399CS..G310 helixtrans-84-21.6179.700000112.9V342 P343 L364 K365 Y366V342-A345 HydrophobicContact CB-CB 4.24Å; V342-A345 WeakPolarHBondContact O-CB 3.42Å; V342-A345 PolarHBondContact O-N 2.88Å; P343-A345 PolarHBondContact O-N 3.2Å; A345-L364 HydrophobicContact CB-CB 4.16Å; A345-L364 HydrophobicContact CB-CD2 3.76Å; A345-L364 HydrophobicContact CB-CG 4.23Å; A345-K365 CarbonylContact O-C 3.58Å; A345-K365 WeakPolarHBondContact O-CA 3.16Å; A345-Y366 HydrophobicContact CB-CD2 3.98Å; A345-Y366 HydrophobicContact CB-CE2 4.32Å; A345-Y366 PolarHBondContact O-N 2.98Å
346W81.9Confident75.6Confident21 Ų2166.8 Ų66.88%0.0838%0.375CS..EExtended strand (participates in β ladder)trans-86.6143.7-175-64.498.1000112.4I339 D341 P343 Y366 L368 S403 C405 V438I339-W346 HydrophobicContact CB-CH2 4.42Å; I339-W346 HydrophobicContact CB-CZ2 4.35Å; I339-W346 HydrophobicContact CD1-CH2 4.24Å; I339-W346 HydrophobicContact CG2-CH2 3.77Å; I339-W346 HydrophobicContact CG2-CZ2 3.57Å; D341-W346 PolarHBondContact OD1-NE1 3.19Å; P343-W346 PolarHBondContact O-N 2.95Å; W346-Y366 CarbonylContact C-O 3.56Å; W346-Y366 HydrophobicContact CD2-CD2 4.18Å; W346-Y366 HydrophobicContact CD2-CG 4.35Å; W346-Y366 VanDerWaalsContact CE3-CB 3.41Å; W346-Y366 HydrophobicContact CE3-CD2 4.48Å; W346-Y366 HydrophobicContact CE3-CG 4.2Å; W346-Y366 HydrophobicContact CH2-CG 4.32Å; W346-Y366 HydrophobicContact CZ2-CD2 4.22Å; W346-Y366 HydrophobicContact CZ2-CG 4.46Å; W346-Y366 HydrophobicContact CZ3-CG 4.2Å; W346-L368 HydrophobicContact CD2-CD1 4.24Å; W346-L368 HydrophobicContact CE3-CD1 3.42Å; W346-L368 VanDerWaalsContact CE3-CD1 3.42Å; W346-L368 HydrophobicContact CE3-CD2 4.38Å; W346-L368 HydrophobicContact CE3-CG 3.7Å; W346-L368 HydrophobicContact CZ3-CD1 3.95Å; W346-L368 HydrophobicContact CZ3-CD2 4.07Å; W346-L368 HydrophobicContact CZ3-CG 3.85Å; W346-S403 WeakPolarHBondContact CB-O 3.47Å; W346-C405 HydrophobicContact CH2-CB 3.89Å; W346-C405 HydrophobicContact CZ3-CB 4.37Å; W346-V438 HydrophobicContact CH2-CG1 4.09Å; W346-V438 HydrophobicContact CH2-CG2 4.4Å; W346-V438 HydrophobicContact CZ3-CB 4.47Å; W346-V438 HydrophobicContact CZ3-CG1 3.61Å; W346-V438 HydrophobicContact CZ3-CG2 3.97Å
347S84.6Confident76.8Confident36 Ų3667.7 Ų67.725%0.25237%0.366SS..EExtended strand (participates in β ladder)trans-147.1123.9173.6-650000110.6K365 Y366 F367 L368S347-K365 WeakPolarHBondContact OG-CE 3.04Å; S347-K365 PolarHBondContact OG-NZ 2.84Å; S347-Y366 PolarHBondContact N-O 3.43Å; S347-F367 WeakPolarHBondContact O-CA 3.41Å; S347-L368 PolarHBondContact O-N 3.36Å
348E83.1Confident77.6Confident93 Ų9365.4 Ų65.444%0.43535%0.353SS..EExtended strand (participates in β ladder)trans-79.1132.8176.8-167.9-179.3-166.300110.7
349V82.9Confident78.4Confident14 Ų1462.5 Ų62.59%0.08533%0.334CS..  trans-106.999.8-179.2-175.20000109.7S351 L354 F367 L368 F369V349-S351 VanDerWaalsContact CG1-OG 3.32Å; V349-S351 WeakPolarHBondContact CG1-OG 3.47Å; V349-L354 HydrophobicContact CG1-CB 4.36Å; V349-L354 HydrophobicContact CG1-CD1 4.48Å; V349-L354 HydrophobicContact CG2-CD1 4.08Å; V349-F367 HydrophobicContact CG2-CB 3.84Å; V349-F367 HydrophobicContact CG2-CD1 3.59Å; V349-F367 HydrophobicContact CG2-CG 4.09Å; V349-L368 PolarHBondContact N-O 2.78Å; V349-F369 HydrophobicContact CB-CD1 4.05Å; V349-F369 HydrophobicContact CB-CE1 3.77Å; V349-F369 HydrophobicContact CB-CZ 4.07Å; V349-F369 HydrophobicContact CG1-CD1 4.22Å; V349-F369 HydrophobicContact CG1-CE1 3.58Å; V349-F369 HydrophobicContact CG1-CZ 4.03Å; V349-F369 HydrophobicContact CG2-CE1 4.35Å; V349-F369 HydrophobicContact CG2-CE2 4.41Å; V349-F369 HydrophobicContact CG2-CZ 4.13Å
350N80.1Confident78.7Confident107 Ų10769.6 Ų69.657%0.57236%0.364SS*.  trans-86.3-10177-71.7-30.2000113.8R374N350-R374 PolarHBondContact O-NH2 3.07Å
351S81.8Confident79.2Confident59 Ų5971.5 Ų71.541%0.41337%0.37SS..SBendtrans-78.5158.8177.755.70000112.5V349 R353V349-S351 VanDerWaalsContact CG1-OG 3.32Å; V349-S351 WeakPolarHBondContact CG1-OG 3.47Å; S351-R353 WeakPolarHBondContact CB-O 3.01Å; S351-R353 PolarHBondContact O-N 2.86Å; S351-R353 PolarHBondContact OG-O 3.3Å
352L82.9Confident79.7Confident79 Ų7969.7 Ų69.741%0.41437%0.372SS..SBendtrans-71.6-12.6173.4-63.8179.3000113.4Y378 W455L352-Y378 WeakPolarHBondContact CD1-OH 3.42Å; L352-Y378 HydrophobicContact CD2-CE2 3.71Å; L352-Y378 WeakPolarHBondContact CD2-OH 3.22Å; L352-W455 VanDerWaalsContact O-CD1 3.31Å; L352-W455 PolarHBondContact O-N 2.81Å
353R83.8Confident80.1Confident56 Ų5671.3 Ų71.321%0.21138%0.376CS..EExtended strand (participates in β ladder)trans-143.2136.6-174.3-174.3-172.1177.4113.711.3110S351 E452 C453 S485 P579S351-R353 WeakPolarHBondContact CB-O 3.01Å; S351-R353 PolarHBondContact O-N 2.86Å; S351-R353 PolarHBondContact OG-O 3.3Å; R353-E452 IonicContact NH2-OE1 3.94Å; R353-E452 PolarHBondContact NH2-OE1 2.92Å; R353-E452 IonicContact NH2-OE2 2.68Å; R353-C453 CarbonylContact C-O 3.57Å; R353-C453 VanDerWaalsContact CA-O 3.28Å; R353-C453 WeakPolarHBondContact CA-O 3.32Å; R353-C453 WeakPolarHBondContact CG-O 3.31Å; R353-S485 PolarHBondContact NH1-O 2.65Å; R353-P579 VanDerWaalsContact CZ-CB 3.4Å; R353-P579 VanDerWaalsContact NH1-CB 3.34Å; R353-P579 VanDerWaalsContact NH2-CG 3.28Å
354L88.2Confident80.9Confident16 Ų1668.5 Ų68.58%0.08436%0.355CS..EExtended strand (participates in β ladder)trans-108.1133167.2178.966.1000108.6V349 F367 F369 E452 C453V349-L354 HydrophobicContact CG1-CB 4.36Å; V349-L354 HydrophobicContact CG1-CD1 4.48Å; V349-L354 HydrophobicContact CG2-CD1 4.08Å; L354-F367 HydrophobicContact CD1-CD1 3.98Å; L354-F367 HydrophobicContact CD1-CE1 3.95Å; L354-F367 HydrophobicContact CD1-CG 4.31Å; L354-F367 HydrophobicContact CD1-CZ 4.26Å; L354-F367 HydrophobicContact CD2-CB 3.94Å; L354-F367 HydrophobicContact CD2-CD1 4.18Å; L354-F367 HydrophobicContact CD2-CD2 3.68Å; L354-F367 HydrophobicContact CD2-CE2 4.2Å; L354-F367 HydrophobicContact CD2-CG 3.65Å; L354-F369 HydrophobicContact CB-CE1 4.4Å; L354-F369 HydrophobicContact CB-CZ 3.81Å; L354-F369 HydrophobicContact CD2-CE2 4.1Å; L354-F369 HydrophobicContact CD2-CZ 3.75Å; L354-F369 HydrophobicContact CG-CZ 4.39Å; L354-E452 CarbonylContact O-C 3.59Å; L354-E452 VanDerWaalsContact O-CA 3.27Å; L354-E452 WeakPolarHBondContact O-CA 3.43Å; L354-C453 HydrophobicContact CB-CB 4.15Å; L354-C453 PolarHBondContact N-O 3.42Å; L354-C453 PolarHBondContact O-N 3.38Å
355S86.9Confident81.7Confident75 Ų7561.9 Ų61.952%0.52432%0.323SS..EExtended strand (participates in β ladder)trans-133.7111164.8-172.80000106.8
356Y86.4Confident82.2Confident37 Ų3762.7 Ų62.715%0.14533%0.326CS..EExtended strand (participates in β ladder)trans-127.4128.1-176176.5-111.6000109.9T358 P359 F367 A441 T450 V451Y356-T358 HydrophobicContact CD1-CG2 4.28Å; Y356-T358 HydrophobicContact CE1-CG2 3.51Å; Y356-P359 WeakPolarHBondContact OH-CD 3.37Å; Y356-F367 AromaticContact CD1-CE2 3.61Å; Y356-F367 HydrophobicContact CD1-CE2 3.61Å; Y356-F367 AromaticContact CD1-CZ 3.95Å; Y356-F367 HydrophobicContact CD1-CZ 3.95Å; Y356-F367 HydrophobicContact CD2-CE2 4.16Å; Y356-F367 AromaticContact CD2-CZ 3.62Å; Y356-F367 HydrophobicContact CD2-CZ 3.62Å; Y356-F367 HydrophobicContact CE1-CE2 4.05Å; Y356-F367 HydrophobicContact CE1-CZ 4.31Å; Y356-F367 HydrophobicContact CE2-CZ 4.04Å; Y356-F367 AromaticContact CG-CE2 3.64Å; Y356-F367 HydrophobicContact CG-CE2 3.64Å; Y356-F367 AromaticContact CG-CZ 3.56Å; Y356-F367 HydrophobicContact CG-CZ 3.56Å; Y356-A441 HydrophobicContact CD1-CB 3.74Å; Y356-A441 HydrophobicContact CE1-CB 3.77Å; Y356-T450 CarbonylContact O-C 3.53Å; Y356-T450 VanDerWaalsContact O-CA 3.28Å; Y356-T450 WeakPolarHBondContact O-CA 3.45Å; Y356-T450 WeakPolarHBondContact O-CG2 3.3Å; Y356-V451 PolarHBondContact N-O 3.48Å; Y356-V451 PolarHBondContact O-N 3.34Å
357R84.1Confident82.5Confident100 Ų10062.4 Ų62.438%0.37733%0.325SS..EExtended strand (participates in β ladder)trans-113.6127.7172.6-177.3175.7-178.1179.9-0.5107.8F449 N525R357-F449 WeakPolarHBondContact CA-O 3.25Å; R357-N525 PolarHBondContact NH1-O 3.08Å
358T83.1Confident82.7Confident3 Ų360.8 Ų60.82%0.01831%0.313CS..  trans-68.1139.6-178.246.20000111.9Y356 N443 Q448 F449Y356-T358 HydrophobicContact CD1-CG2 4.28Å; Y356-T358 HydrophobicContact CE1-CG2 3.51Å; T358-N443 HydrophobicContact CG2-CB 3.97Å; T358-Q448 WeakPolarHBondContact OG1-CA 3.38Å; T358-F449 HydrophobicContact CG2-CD1 3.98Å; T358-F449 HydrophobicContact CG2-CD2 4.03Å; T358-F449 HydrophobicContact CG2-CE1 3.53Å; T358-F449 HydrophobicContact CG2-CE2 3.55Å; T358-F449 HydrophobicContact CG2-CG 4.22Å; T358-F449 HydrophobicContact CG2-CZ 3.29Å; T358-F449 PolarHBondContact N-O 2.87Å; T358-F449 PolarHBondContact OG1-N 3.43Å; T358-F449 PolarHBondContact OG1-O 3.27Å
359P79.6Confident82.9Confident48 Ų4856.4 Ų56.431%0.31229%0.293SS..  trans-63.7163.117028-32.6000110.2Y356 E361 N443Y356-P359 WeakPolarHBondContact OH-CD 3.37Å; P359-E361 PolarHBondContact O-N 2.98Å; P359-N443 PolarHBondContact O-ND2 3.26Å
360K73.3Confident83.2Confident166 Ų16656.9 Ų56.972%0.72230%0.299SS*.SBendtrans-65.3-30.9176.4-69.8-174.7178.5179.40111.9Q448K360-Q448 HydrophobicContact CG-CG 4.42Å
361E75.9Confident83.4Confident161 Ų16151.8 Ų51.875%0.75227%0.271SS*.SBendtrans-76.3146.1176.7-68.4170.3-165.900111P359 Q363P359-E361 PolarHBondContact O-N 2.98Å; E361-Q363 PolarHBondContact O-N 3.41Å
362G73.8Confident83.2Confident52 Ų5253 Ų5354%0.53628%0.278SS..  trans-72.8117179.700000110.9N443G362-N443 WeakPolarHBondContact CA-O 3.42Å
363Q78.3Confident83Confident93 Ų9353.1 Ų53.144%0.43529%0.285SS..  trans-135.7136.1179.9-164.4177.41300110.6E361 S442 N443E361-Q363 PolarHBondContact O-N 3.41Å; Q363-S442 WeakPolarHBondContact O-CA 3.4Å; Q363-N443 PolarHBondContact N-O 3.4Å; Q363-N443 PolarHBondContact O-N 3.34Å
364L81.4Confident82.9Confident49 Ų4953.6 Ų53.626%0.25729%0.287SS..  trans-77.7128.9170.3-158.488.1000108.9A345 Y366 S442 L444A345-L364 HydrophobicContact CB-CB 4.16Å; A345-L364 HydrophobicContact CB-CD2 3.76Å; A345-L364 HydrophobicContact CB-CG 4.23Å; L364-Y366 HydrophobicContact CD2-CD2 4.37Å; L364-Y366 HydrophobicContact CD2-CE2 3.47Å; L364-Y366 VanDerWaalsContact CD2-CE2 3.47Å; L364-Y366 HydrophobicContact CG-CE2 3.86Å; L364-S442 WeakPolarHBondContact CD1-OG 3.31Å; L364-S442 WeakPolarHBondContact CG-OG 3.21Å; L364-L444 HydrophobicContact CD1-CD2 4.39Å
365K86.1Confident82.6Confident31 Ų3156.7 Ų56.714%0.13530%0.298CS..  trans-147.1128-179.1-155.974.9-171.4169.30112.6A345 S347 F367 A441 S442A345-K365 CarbonylContact O-C 3.58Å; A345-K365 WeakPolarHBondContact O-CA 3.16Å; S347-K365 WeakPolarHBondContact OG-CE 3.04Å; S347-K365 PolarHBondContact OG-NZ 2.84Å; K365-F367 HydrophobicContact CG-CE1 4.48Å; K365-F367 HydrophobicContact CG-CE2 4.05Å; K365-F367 HydrophobicContact CG-CZ 3.88Å; K365-A441 CarbonylContact O-C 3.55Å; K365-A441 PolarHBondContact O-N 3.17Å; K365-S442 PolarHBondContact N-OG 3.42Å; K365-S442 VanDerWaalsContact N-OG 3.15Å
366Y87.8Confident82.4Confident20 Ų2062.8 Ų62.88%0.07832%0.315CS..EExtended strand (participates in β ladder)trans-123.1131.7176.8-60.2-71.2000110.7I339 A345 W346 S347 L364 V438 S440I339-Y366 HydrophobicContact CG2-CD1 4.41Å; I339-Y366 HydrophobicContact CG2-CD2 4.44Å; I339-Y366 HydrophobicContact CG2-CE1 3.92Å; I339-Y366 HydrophobicContact CG2-CE2 3.94Å; A345-Y366 HydrophobicContact CB-CD2 3.98Å; A345-Y366 HydrophobicContact CB-CE2 4.32Å; A345-Y366 PolarHBondContact O-N 2.98Å; W346-Y366 CarbonylContact C-O 3.56Å; W346-Y366 HydrophobicContact CD2-CD2 4.18Å; W346-Y366 HydrophobicContact CD2-CG 4.35Å; W346-Y366 VanDerWaalsContact CE3-CB 3.41Å; W346-Y366 HydrophobicContact CE3-CD2 4.48Å; W346-Y366 HydrophobicContact CE3-CG 4.2Å; W346-Y366 HydrophobicContact CH2-CG 4.32Å; W346-Y366 HydrophobicContact CZ2-CD2 4.22Å; W346-Y366 HydrophobicContact CZ2-CG 4.46Å; W346-Y366 HydrophobicContact CZ3-CG 4.2Å; S347-Y366 PolarHBondContact N-O 3.43Å; L364-Y366 HydrophobicContact CD2-CD2 4.37Å; L364-Y366 HydrophobicContact CD2-CE2 3.47Å; L364-Y366 VanDerWaalsContact CD2-CE2 3.47Å; L364-Y366 HydrophobicContact CG-CE2 3.86Å; Y366-V438 HydrophobicContact CD1-CG1 4.15Å; Y366-S440 WeakPolarHBondContact CE1-OG 3.47Å
367F88.9Confident82.2Confident15 Ų1563 Ų637%0.06632%0.324CS..EExtended strand (participates in β ladder)trans-107.9122.8177-66.6-72.6000111.2S347 V349 L354 Y356 K365 F369 V438 V439 A441S347-F367 WeakPolarHBondContact O-CA 3.41Å; V349-F367 HydrophobicContact CG2-CB 3.84Å; V349-F367 HydrophobicContact CG2-CD1 3.59Å; V349-F367 HydrophobicContact CG2-CG 4.09Å; L354-F367 HydrophobicContact CD1-CD1 3.98Å; L354-F367 HydrophobicContact CD1-CE1 3.95Å; L354-F367 HydrophobicContact CD1-CG 4.31Å; L354-F367 HydrophobicContact CD1-CZ 4.26Å; L354-F367 HydrophobicContact CD2-CB 3.94Å; L354-F367 HydrophobicContact CD2-CD1 4.18Å; L354-F367 HydrophobicContact CD2-CD2 3.68Å; L354-F367 HydrophobicContact CD2-CE2 4.2Å; L354-F367 HydrophobicContact CD2-CG 3.65Å; Y356-F367 AromaticContact CD1-CE2 3.61Å; Y356-F367 HydrophobicContact CD1-CE2 3.61Å; Y356-F367 AromaticContact CD1-CZ 3.95Å; Y356-F367 HydrophobicContact CD1-CZ 3.95Å; Y356-F367 HydrophobicContact CD2-CE2 4.16Å; Y356-F367 AromaticContact CD2-CZ 3.62Å; Y356-F367 HydrophobicContact CD2-CZ 3.62Å; Y356-F367 HydrophobicContact CE1-CE2 4.05Å; Y356-F367 HydrophobicContact CE1-CZ 4.31Å; Y356-F367 HydrophobicContact CE2-CZ 4.04Å; Y356-F367 AromaticContact CG-CE2 3.64Å; Y356-F367 HydrophobicContact CG-CE2 3.64Å; Y356-F367 AromaticContact CG-CZ 3.56Å; Y356-F367 HydrophobicContact CG-CZ 3.56Å; K365-F367 HydrophobicContact CG-CE1 4.48Å; K365-F367 HydrophobicContact CG-CE2 4.05Å; K365-F367 HydrophobicContact CG-CZ 3.88Å; F367-F369 HydrophobicContact CB-CE2 4.02Å; F367-V438 CarbonylContact O-C 3.56Å; F367-V438 VanDerWaalsContact O-CA 3.32Å; F367-V438 WeakPolarHBondContact O-CA 3.36Å; F367-V439 HydrophobicContact CB-CB 4.36Å; F367-V439 PolarHBondContact N-O 2.94Å; F367-V439 PolarHBondContact O-N 3.16Å; F367-A441 HydrophobicContact CD2-CB 4.08Å; F367-A441 HydrophobicContact CE2-CB 3.8Å
368L88.5Confident82.3Confident2 Ų260 Ų601%0.0131%0.313CS..EExtended strand (participates in β ladder)trans-97.8132.4179.3-82.3155.7000111.1W346 S347 V349 H436 V438W346-L368 HydrophobicContact CD2-CD1 4.24Å; W346-L368 HydrophobicContact CE3-CD1 3.42Å; W346-L368 VanDerWaalsContact CE3-CD1 3.42Å; W346-L368 HydrophobicContact CE3-CD2 4.38Å; W346-L368 HydrophobicContact CE3-CG 3.7Å; W346-L368 HydrophobicContact CZ3-CD1 3.95Å; W346-L368 HydrophobicContact CZ3-CD2 4.07Å; W346-L368 HydrophobicContact CZ3-CG 3.85Å; S347-L368 PolarHBondContact O-N 3.36Å; V349-L368 PolarHBondContact N-O 2.78Å; L368-H436 HydrophobicContact CD2-CB 3.88Å; L368-V438 HydrophobicContact CD2-CG2 3.73Å
369F88.2Confident82.5Confident1 Ų161.3 Ų61.30%0.00432%0.322CS..EExtended strand (participates in β ladder)trans-124113.7179.4-72.8-86.9000109.9V349 L354 F367 L371 F381 H436 L437 V439 C453 W455V349-F369 HydrophobicContact CB-CD1 4.05Å; V349-F369 HydrophobicContact CB-CE1 3.77Å; V349-F369 HydrophobicContact CB-CZ 4.07Å; V349-F369 HydrophobicContact CG1-CD1 4.22Å; V349-F369 HydrophobicContact CG1-CE1 3.58Å; V349-F369 HydrophobicContact CG1-CZ 4.03Å; V349-F369 HydrophobicContact CG2-CE1 4.35Å; V349-F369 HydrophobicContact CG2-CE2 4.41Å; V349-F369 HydrophobicContact CG2-CZ 4.13Å; L354-F369 HydrophobicContact CB-CE1 4.4Å; L354-F369 HydrophobicContact CB-CZ 3.81Å; L354-F369 HydrophobicContact CD2-CE2 4.1Å; L354-F369 HydrophobicContact CD2-CZ 3.75Å; L354-F369 HydrophobicContact CG-CZ 4.39Å; F367-F369 HydrophobicContact CB-CE2 4.02Å; F369-L371 PolarHBondContact O-N 2.94Å; F369-F381 AromaticContact CD1-CE2 4Å; F369-F381 HydrophobicContact CD1-CE2 4Å; F369-F381 HydrophobicContact CD1-CZ 4.36Å; F369-F381 HydrophobicContact CD2-CE2 4.42Å; F369-F381 AromaticContact CD2-CZ 3.98Å; F369-F381 HydrophobicContact CD2-CZ 3.98Å; F369-F381 AromaticContact CE1-CE2 4Å; F369-F381 HydrophobicContact CE1-CE2 4Å; F369-F381 HydrophobicContact CE1-CZ 4.3Å; F369-F381 HydrophobicContact CE2-CE2 4.44Å; F369-F381 AromaticContact CE2-CZ 3.93Å; F369-F381 HydrophobicContact CE2-CZ 3.93Å; F369-F381 HydrophobicContact CG-CE2 4.2Å; F369-F381 HydrophobicContact CG-CZ 4.19Å; F369-F381 HydrophobicContact CZ-CE2 4.21Å; F369-F381 HydrophobicContact CZ-CZ 4.08Å; F369-H436 CarbonylContact O-C 3.59Å; F369-H436 VanDerWaalsContact O-CA 3.31Å; F369-H436 WeakPolarHBondContact O-CA 3.4Å; F369-L437 HydrophobicContact CB-CB 4.06Å; F369-L437 PolarHBondContact N-O 3.11Å; F369-L437 PolarHBondContact O-N 2.85Å; F369-V439 HydrophobicContact CD2-CG2 4.09Å; F369-V439 HydrophobicContact CE2-CB 4.23Å; F369-V439 HydrophobicContact CE2-CG2 3.68Å; F369-C453 HydrophobicContact CZ-CB 4.08Å; F369-W455 HydrophobicContact CB-CH2 4.37Å; F369-W455 HydrophobicContact CB-CZ2 3.83Å; F369-W455 AromaticContact CD1-CZ2 3.89Å; F369-W455 HydrophobicContact CD1-CZ2 3.89Å; F369-W455 AromaticContact CD1-NE1 3.84Å; F369-W455 HydrophobicContact CG-CZ2 4.26Å
370A87.3Confident83Confident25 Ų2560.9 Ų60.921%0.20732%0.316CS..EExtended strand (participates in β ladder)trans-71.1123.4177.900000111.9R374A370-R374 VanDerWaalsContact O-CG 3.28Å; A370-R374 WeakPolarHBondContact O-CG 3.4Å
371L84.5Confident83.8Confident0 Ų053 Ų530%028%0.282CS..  trans-83.5-42.3179.9-70.2165.2000115.2F369 S373 R374 R375 L428 F434 T435 L437 W455F369-L371 PolarHBondContact O-N 2.94Å; L371-S373 PolarHBondContact O-N 2.99Å; L371-R374 PolarHBondContact O-N 2.81Å; L371-R375 WeakPolarHBondContact O-CG 3.47Å; L371-R375 PolarHBondContact O-N 2.68Å; L371-R375 VanDerWaalsContact O-N 3.07Å; L371-L428 HydrophobicContact CD2-CD2 3.97Å; L371-F434 HydrophobicContact CD1-CB 3.85Å; L371-T435 WeakPolarHBondContact CB-O 3.38Å; L371-T435 PolarHBondContact N-O 3.05Å; L371-T435 VanDerWaalsContact N-O 3.14Å; L371-L437 HydrophobicContact CD1-CG 4.06Å; L371-L437 HydrophobicContact CD2-CD1 3.86Å; L371-L437 HydrophobicContact CD2-CG 3.97Å; L371-L437 HydrophobicContact CG-CG 4.18Å; L371-W455 HydrophobicContact CD2-CH2 3.82Å; L371-W455 HydrophobicContact CD2-CZ3 4.08Å
372P79.1Confident84.6Confident84 Ų8445.3 Ų45.355%0.54525%0.246SC..THydrogen-bonded Turntrans-57.8-40.5-165.6-28.535000114.8T435P372-T435 WeakPolarHBondContact CD-O 3.46Å
373S78.1Confident85.5Confident82 Ų8242.9 Ų42.957%0.57322%0.22SC*.THydrogen-bonded Turntrans-77.7-29.4179.356.90000112.9L371L371-S373 PolarHBondContact O-N 2.99Å
374R82.6Confident86.1Confident66 Ų6638.4 Ų38.425%0.24920%0.2CC..THydrogen-bonded Turntrans-84-28.3-174-59.6-61-175.4-176.11.4113.4N350 A370 L371 K376 A377 Y378 W455N350-R374 PolarHBondContact O-NH2 3.07Å; A370-R374 VanDerWaalsContact O-CG 3.28Å; A370-R374 WeakPolarHBondContact O-CG 3.4Å; L371-R374 PolarHBondContact O-N 2.81Å; R374-K376 PolarHBondContact O-N 2.94Å; R374-K376 VanDerWaalsContact O-N 3.15Å; R374-A377 PolarHBondContact O-N 3.48Å; R374-Y378 HydrophobicContact CB-CD2 4.36Å; R374-Y378 PolarHBondContact O-N 3.11Å; R374-Y378 VanDerWaalsContact O-N 3.08Å; R374-W455 HydrophobicContact CB-CD2 4.44Å; R374-W455 HydrophobicContact CB-CE3 4.28Å; R374-W455 HydrophobicContact CB-CH2 4.15Å; R374-W455 HydrophobicContact CB-CZ2 4.29Å; R374-W455 HydrophobicContact CB-CZ3 4.14Å; R374-W455 HydrophobicContact CG-CH2 4.36Å; R374-W455 HydrophobicContact CG-CZ2 4.03Å
375R81.9Confident86.5Confident81 Ų8136.1 Ų36.131%0.30619%0.187SC..THydrogen-bonded Turntrans-57.3-27.1178.4-75.9-177.6-171.515710.8114.6L371 L428 L431 S432 F434L371-R375 WeakPolarHBondContact O-CG 3.47Å; L371-R375 PolarHBondContact O-N 2.68Å; L371-R375 VanDerWaalsContact O-N 3.07Å; R375-L428 HydrophobicContact CG-CB 4.44Å; R375-L431 PolarHBondContact NH2-O 2.84Å; R375-S432 PolarHBondContact NH1-O 3.08Å; R375-S432 VanDerWaalsContact NH1-O 3.11Å; R375-S432 PolarHBondContact NH2-O 3.2Å; R375-F434 PolarHBondContact NH2-O 2.65Å
376K81.1Confident86.3Confident202 Ų20236.8 Ų36.888%0.87819%0.192SC*.THydrogen-bonded Turntrans-75.6-24.6177.6-65.3-174-179.7-177.90113.1R374R374-K376 PolarHBondContact O-N 2.94Å; R374-K376 VanDerWaalsContact O-N 3.15Å
377A83.5Confident85.7Confident41 Ų4140.4 Ų40.434%0.33921%0.213SC..THydrogen-bonded Turntrans-112.5-14.3-16900000114.3R374 R457R374-A377 PolarHBondContact O-N 3.48Å; A377-R457 WeakPolarHBondContact O-CG 3.44Å; A377-R457 PolarHBondContact O-NE 2.95Å
378Y86.5Confident85.1Confident38 Ų3840.1 Ų40.115%0.14921%0.212CC..  trans-137.6154.4-175.6-60.5-79.7000110.3L352 R374 W455 R457L352-Y378 WeakPolarHBondContact CD1-OH 3.42Å; L352-Y378 HydrophobicContact CD2-CE2 3.71Å; L352-Y378 WeakPolarHBondContact CD2-OH 3.22Å; R374-Y378 HydrophobicContact CB-CD2 4.36Å; R374-Y378 PolarHBondContact O-N 3.11Å; R374-Y378 VanDerWaalsContact O-N 3.08Å; Y378-W455 HydrophobicContact CD1-CB 3.66Å; Y378-W455 HydrophobicContact CD2-CB 3.98Å; Y378-W455 HydrophobicContact CD2-CG 4.48Å; Y378-W455 HydrophobicContact CE1-CB 3.97Å; Y378-W455 HydrophobicContact CE2-CB 4.29Å; Y378-W455 HydrophobicContact CG-CB 3.68Å; Y378-R457 HydrophobicContact CD1-CG 3.83Å; Y378-R457 HydrophobicContact CE1-CG 4.22Å
379S86.4Confident84.4Confident30 Ų3044.9 Ų44.921%0.2124%0.235CC..SBendtrans-110.6-29.8179.557.20000113.1L428 Q456 E458S379-L428 WeakPolarHBondContact O-CB 3.29Å; S379-L428 WeakPolarHBondContact O-CG 3.34Å; S379-L428 PolarHBondContact O-N 3.36Å; S379-Q456 PolarHBondContact N-O 3.02Å; S379-E458 WeakPolarHBondContact OG-CB 3.43Å; S379-E458 PolarHBondContact OG-N 3.35Å
380H89.8Confident83.8Confident39 Ų3947.4 Ų47.418%0.18125%0.247CC..EExtended strand (participates in β ladder)trans-131151.4-175.6-64.177.1000112.2L426 Q456H380-L426 WeakPolarHBondContact CA-O 3.33Å; H380-Q456 HydrophobicContact CB-CB 4.46Å; H380-Q456 PolarHBondContact N-O 3.13Å; H380-Q456 VanDerWaalsContact N-O 3.07Å; H380-Q456 PolarHBondContact O-N 2.94Å
381F91Very high83.3Confident1 Ų148 Ų480%0.00425%0.25CC..EExtended strand (participates in β ladder)trans-115.8120.8168.3-178.7-109.7000109.2F369 C383 L426 L428 L437 V439 C453 W455F369-F381 AromaticContact CD1-CE2 4Å; F369-F381 HydrophobicContact CD1-CE2 4Å; F369-F381 HydrophobicContact CD1-CZ 4.36Å; F369-F381 HydrophobicContact CD2-CE2 4.42Å; F369-F381 AromaticContact CD2-CZ 3.98Å; F369-F381 HydrophobicContact CD2-CZ 3.98Å; F369-F381 AromaticContact CE1-CE2 4Å; F369-F381 HydrophobicContact CE1-CE2 4Å; F369-F381 HydrophobicContact CE1-CZ 4.3Å; F369-F381 HydrophobicContact CE2-CE2 4.44Å; F369-F381 AromaticContact CE2-CZ 3.93Å; F369-F381 HydrophobicContact CE2-CZ 3.93Å; F369-F381 HydrophobicContact CG-CE2 4.2Å; F369-F381 HydrophobicContact CG-CZ 4.19Å; F369-F381 HydrophobicContact CZ-CE2 4.21Å; F369-F381 HydrophobicContact CZ-CZ 4.08Å; F381-C383 WeakPolarHBondContact CE1-SG 3.15Å; F381-C383 WeakPolarHBondContact CZ-SG 3.39Å; F381-L426 HydrophobicContact CD1-CD1 4.36Å; F381-L426 PolarHBondContact N-O 3.47Å; F381-L426 PolarHBondContact O-N 3.46Å; F381-L428 HydrophobicContact CB-CD2 4Å; F381-L437 HydrophobicContact CB-CD1 4.31Å; F381-L437 HydrophobicContact CD1-CD1 3.66Å; F381-L437 HydrophobicContact CD2-CD1 4.49Å; F381-L437 HydrophobicContact CE1-CD1 3.94Å; F381-L437 HydrophobicContact CG-CD1 3.94Å; F381-L437 HydrophobicContact CZ-CD1 4.49Å; F381-V439 HydrophobicContact CE1-CG2 4.27Å; F381-V439 HydrophobicContact CZ-CG2 4.17Å; F381-C453 HydrophobicContact CE2-CB 4.09Å; F381-C453 HydrophobicContact CZ-CB 3.88Å; F381-W455 HydrophobicContact CB-CE3 4.27Å; F381-W455 HydrophobicContact CB-CZ3 4.25Å; F381-W455 AromaticContact CD2-CD2 3.9Å; F381-W455 HydrophobicContact CD2-CD2 3.9Å; F381-W455 AromaticContact CD2-CE3 3.83Å; F381-W455 HydrophobicContact CD2-CE3 3.83Å; F381-W455 HydrophobicContact CD2-CH2 4.19Å; F381-W455 HydrophobicContact CD2-CZ2 4.28Å; F381-W455 AromaticContact CD2-CZ3 3.98Å; F381-W455 HydrophobicContact CD2-CZ3 3.98Å; F381-W455 HydrophobicContact CE2-CD2 4.46Å; F381-W455 HydrophobicContact CE2-CZ2 4.34Å; F381-W455 HydrophobicContact CG-CZ3 4.44Å
382Y91.8Very high83.2Confident0 Ų049.1 Ų49.10%026%0.258CS..EExtended strand (participates in β ladder)trans-112.5126.8-178.6177.3-86.6000109.7R384 V423 V425 C453 E454 L487 L488 H576Y382-R384 HydrophobicContact CE1-CB 4.09Å; Y382-R384 HydrophobicContact CE1-CG 4.09Å; Y382-V423 HydrophobicContact CE2-CB 4.34Å; Y382-V423 HydrophobicContact CE2-CG1 4.42Å; Y382-V423 WeakPolarHBondContact OH-CG1 3.4Å; Y382-V425 HydrophobicContact CD2-CG2 3.7Å; Y382-V425 HydrophobicContact CE2-CG2 4.08Å; Y382-C453 CarbonylContact O-C 3.58Å; Y382-C453 VanDerWaalsContact O-CA 3.23Å; Y382-C453 WeakPolarHBondContact O-CA 3.47Å; Y382-E454 PolarHBondContact N-O 3.45Å; Y382-E454 PolarHBondContact O-N 2.9Å; Y382-L487 HydrophobicContact CD1-CB 3.66Å; Y382-L487 HydrophobicContact CD1-CD1 3.96Å; Y382-L487 HydrophobicContact CD1-CG 4.48Å; Y382-L487 HydrophobicContact CE1-CB 3.64Å; Y382-L487 HydrophobicContact CE1-CD1 4.13Å; Y382-L488 HydrophobicContact CD2-CB 3.91Å; Y382-L488 HydrophobicContact CD2-CD2 3.75Å; Y382-L488 HydrophobicContact CD2-CG 4.43Å; Y382-L488 HydrophobicContact CE2-CB 3.97Å; Y382-L488 HydrophobicContact CE2-CD2 3.98Å; Y382-L488 HydrophobicContact CE2-CG 4.42Å; Y382-L488 HydrophobicContact CG-CB 4.36Å; Y382-H576 AromaticContact CE2-ND1 3.75Å; Y382-H576 AromaticContact CZ-ND1 3.67Å; Y382-H576 PolarHBondContact OH-ND1 3.2Å
383C92Very high83.5Confident0 Ų045.1 Ų45.10%023%0.232CC..EExtended strand (participates in β ladder)trans-130.7147.4172.4-73.70000111.5F381 W393 V423 L424 E452 C453F381-C383 WeakPolarHBondContact CE1-SG 3.15Å; F381-C383 WeakPolarHBondContact CZ-SG 3.39Å; C383-W393 HydrophobicContact CB-CH2 3.42Å; C383-W393 VanDerWaalsContact CB-CH2 3.42Å; C383-W393 HydrophobicContact CB-CZ3 3.73Å; C383-V423 CarbonylContact O-C 3.55Å; C383-V423 WeakPolarHBondContact O-CA 3.24Å; C383-L424 PolarHBondContact N-O 3.36Å; C383-L424 PolarHBondContact O-N 3.15Å; C383-E452 CarbonylContact C-O 3.55Å; C383-E452 VanDerWaalsContact CA-O 3.29Å; C383-E452 WeakPolarHBondContact CA-O 3.34Å; C383-C453 HydrophobicContact CB-CB 4.15Å; C383-C453 WeakPolarHBondContact CB-SG 3.5Å; C383-C453 WeakPolarHBondContact SG-CB 3.24Å; C383-C453 CovalentContact SG-SG 2.04Å; C383-C453 PolarHBondContact SG-SG 2.98Å
384R91.6Very high84.1Confident0 Ų041.2 Ų41.20%020%0.204CC..EExtended strand (participates in β ladder)trans-140.4153173.267173.4178.9-159.9-1.4113Y382 Y421 K422 V423 E452 L529 T577Y382-R384 HydrophobicContact CE1-CB 4.09Å; Y382-R384 HydrophobicContact CE1-CG 4.09Å; R384-Y421 HydrophobicContact CB-CD2 3.85Å; R384-Y421 HydrophobicContact CB-CE2 4.17Å; R384-Y421 HydrophobicContact CG-CD2 4.49Å; R384-Y421 PolarHBondContact NH1-OH 2.59Å; R384-Y421 VanDerWaalsContact NH1-OH 3.17Å; R384-K422 CarbonylContact C-O 3.13Å; R384-K422 VanDerWaalsContact CA-O 3.27Å; R384-K422 WeakPolarHBondContact CA-O 3.08Å; R384-V423 HydrophobicContact CB-CG1 3.94Å; R384-E452 HydrophobicContact CG-CB 4.11Å; R384-E452 IonicContact CZ-OE2 3.91Å; R384-E452 PolarHBondContact N-O 3.24Å; R384-E452 IonicContact NE-OE2 3.16Å; R384-E452 PolarHBondContact NE-OE2 2.78Å; R384-E452 IonicContact NH2-OE2 3.39Å; R384-E452 PolarHBondContact NH2-OE2 2.85Å; R384-E452 PolarHBondContact O-N 3.24Å; R384-L529 HydrophobicContact CG-CD1 4.37Å; R384-T577 VanDerWaalsContact CZ-O 3.25Å; R384-T577 PolarHBondContact NH1-O 3.41Å; R384-T577 PolarHBondContact NH2-O 3.15Å
385S89.5Confident84.4Confident0 Ų038.7 Ų38.70%020%0.195CC..EExtended strand (participates in β ladder)trans-151.6136.1177.2-175.80000112.8L388 Y421 K422 T450S385-L388 WeakPolarHBondContact OG-CB 3.31Å; S385-Y421 WeakPolarHBondContact O-CA 3.5Å; S385-Y421 WeakPolarHBondContact O-CB 3.5Å; S385-K422 PolarHBondContact N-O 3.37Å; S385-K422 PolarHBondContact O-N 3.16Å; S385-T450 WeakPolarHBondContact CA-O 3.47Å; S385-T450 PolarHBondContact OG-O 3.15Å
386N82.9Confident84.7Confident45 Ų4534.8 Ų34.824%0.24118%0.18CC..SBendtrans-80.2-58.9-176.760.8-12.9000114.5F449 T450 L529N386-F449 WeakPolarHBondContact OD1-CA 3.39Å; N386-T450 PolarHBondContact OD1-N 3.44Å; N386-L529 HydrophobicContact CB-CD2 3.74Å
387N75.4Confident85Confident96 Ų9625.2 Ų25.251%0.51314%0.139SC..SBendtrans-122.325-167.3-70.7-17000112.4E389 F449N387-E389 PolarHBondContact O-N 3.22Å; N387-E389 VanDerWaalsContact O-N 3.17Å; N387-F449 HydrophobicContact CB-CB 3.97Å
388L76.4Confident85Confident10 Ų1026.5 Ų26.55%0.05214%0.14CC..  trans-76.9105176.1177.964.6000108.9S385 M390 W393 K422 F449S385-L388 WeakPolarHBondContact OG-CB 3.31Å; L388-M390 VanDerWaalsContact C-N 3.28Å; L388-M390 HydrophobicContact CD1-CB 4.16Å; L388-M390 HydrophobicContact CD1-CG 4.28Å; L388-M390 HydrophobicContact CD1-SD 4.28Å; L388-M390 HydrophobicContact CG-CB 4.25Å; L388-M390 PolarHBondContact O-N 2.88Å; L388-W393 HydrophobicContact CD2-CB 3.52Å; L388-W393 HydrophobicContact CD2-CD2 4.09Å; L388-W393 HydrophobicContact CD2-CE3 4.09Å; L388-W393 HydrophobicContact CD2-CG 3.88Å; L388-K422 PolarHBondContact O-NZ 3.15Å; L388-F449 HydrophobicContact CB-CD2 4.15Å; L388-F449 HydrophobicContact CB-CE2 4.4Å; L388-F449 HydrophobicContact CB-CG 4.37Å; L388-F449 HydrophobicContact CD1-CD1 4.41Å; L388-F449 HydrophobicContact CD1-CD2 4.25Å; L388-F449 HydrophobicContact CD1-CE1 3.86Å; L388-F449 HydrophobicContact CD1-CE2 3.7Å; L388-F449 HydrophobicContact CD1-CZ 3.47Å; L388-F449 VanDerWaalsContact CD1-CZ 3.47Å; L388-F449 HydrophobicContact CG-CE2 4.47Å
389E72.7Confident84.4Confident102 Ų10232.3 Ų32.348%0.47717%0.168SC..  trans-67.1-27.6-177.2-67.4-17716700112.9N387 S391 N445 K447N387-E389 PolarHBondContact O-N 3.22Å; N387-E389 VanDerWaalsContact O-N 3.17Å; E389-S391 PolarHBondContact O-N 3.43Å; E389-N445 PolarHBondContact OE2-ND2 2.94Å; E389-K447 WeakPolarHBondContact OE1-CD 3.33Å; E389-K447 IonicContact OE1-NZ 3.3Å; E389-K447 PolarHBondContact OE1-NZ 3.44Å
390M75.4Confident83.2Confident54 Ų5431.8 Ų31.827%0.26617%0.167SC..  trans-59.9127.8179.3-67.1174.946.700112L388 S392 K422 S440L388-M390 VanDerWaalsContact C-N 3.28Å; L388-M390 HydrophobicContact CD1-CB 4.16Å; L388-M390 HydrophobicContact CD1-CG 4.28Å; L388-M390 HydrophobicContact CD1-SD 4.28Å; L388-M390 HydrophobicContact CG-CB 4.25Å; L388-M390 PolarHBondContact O-N 2.88Å; M390-S392 WeakPolarHBondContact CE-O 3.34Å; M390-K422 PolarHBondContact O-NZ 2.68Å; M390-S440 WeakPolarHBondContact CE-OG 3.38Å
391S76.1Confident82.1Confident37 Ų3736 Ų3626%0.25919%0.191SC..SBendtrans-72.6-41.8174.949.70000112E389 S412E389-S391 PolarHBondContact O-N 3.43Å; S391-S412 WeakPolarHBondContact O-CB 3.09Å
392S82.9Confident80.7Confident24 Ų2439.1 Ų39.117%0.16822%0.217CC..  trans-95.8111.8174.7-59.10000110.2M390 D410 S412M390-S392 WeakPolarHBondContact CE-O 3.34Å; S392-D410 VanDerWaalsContact CB-OD2 3.23Å; S392-D410 WeakPolarHBondContact CB-OD2 3.3Å; S392-D410 PolarHBondContact OG-OD2 2.63Å; S392-S412 WeakPolarHBondContact CA-OG 3Å
393W86.7Confident79.5Confident0 Ų043 Ų430%024%0.244CC..  trans-139.4-14.9-173.767.9-70.1000114.5C383 L388 S412 T415 L424 V439 S440 V451C383-W393 HydrophobicContact CB-CH2 3.42Å; C383-W393 VanDerWaalsContact CB-CH2 3.42Å; C383-W393 HydrophobicContact CB-CZ3 3.73Å; L388-W393 HydrophobicContact CD2-CB 3.52Å; L388-W393 HydrophobicContact CD2-CD2 4.09Å; L388-W393 HydrophobicContact CD2-CE3 4.09Å; L388-W393 HydrophobicContact CD2-CG 3.88Å; W393-S412 PolarHBondContact N-OG 3.21Å; W393-T415 PolarHBondContact NE1-OG1 3.27Å; W393-L424 HydrophobicContact CH2-CB 4.03Å; W393-L424 HydrophobicContact CZ2-CB 3.59Å; W393-L424 HydrophobicContact CZ2-CD2 4.42Å; W393-V439 HydrophobicContact CE3-CG1 4.04Å; W393-V439 HydrophobicContact CZ3-CG1 4.18Å; W393-V439 CarbonylContact O-C 3.51Å; W393-S440 PolarHBondContact O-N 3.29Å; W393-V451 HydrophobicContact CZ3-CG1 4.42Å
394V89.2Confident78.8Confident0 Ų043.9 Ų43.90%025%0.25CS..EExtended strand (participates in β ladder)trans-125.5128.9173.4-1760000110L411 S412 L424 L426 V438 V439V394-L411 PolarHBondContact O-N 2.92Å; V394-S412 PolarHBondContact N-OG 3.15Å; V394-S412 PolarHBondContact O-N 2.85Å; V394-S412 PolarHBondContact O-OG 3.46Å; V394-L424 HydrophobicContact CB-CD2 3.49Å; V394-L424 VanDerWaalsContact CB-CD2 3.49Å; V394-L424 HydrophobicContact CG1-CD2 3.71Å; V394-L424 HydrophobicContact CG2-CD2 3.47Å; V394-L424 VanDerWaalsContact CG2-CD2 3.47Å; V394-L426 HydrophobicContact CG1-CD1 4.27Å; V394-V438 CarbonylContact C-O 3.53Å; V394-V438 WeakPolarHBondContact CA-O 3.37Å; V394-V439 HydrophobicContact CG2-CG2 4.32Å
395F89.1Confident78.2Confident12 Ų1243.9 Ų43.95%0.05325%0.25CS..EExtended strand (participates in β ladder)trans-127.3145.9-177.3-50.2-91.1000111.1I339 A408 V409 D410 V438I339-F395 HydrophobicContact CD1-CB 4.31Å; I339-F395 HydrophobicContact CD1-CD2 4.23Å; I339-F395 HydrophobicContact CD1-CG 4.17Å; F395-A408 HydrophobicContact CB-CB 3.83Å; F395-A408 HydrophobicContact CG-CB 4.43Å; F395-V409 CarbonylContact C-O 3.59Å; F395-V409 VanDerWaalsContact CA-O 3.23Å; F395-V409 WeakPolarHBondContact CA-O 3.29Å; F395-D410 HydrophobicContact CD1-CB 3.93Å; F395-D410 HydrophobicContact CE1-CB 3.97Å; F395-V438 HydrophobicContact CB-CB 4.22Å; F395-V438 PolarHBondContact N-O 3.03Å; F395-V438 PolarHBondContact O-N 3.42Å
396G88.9Confident77.3Confident0 Ų045.8 Ų45.80%027%0.27CS..EExtended strand (participates in β ladder)trans-98.7124.8169.800000110.2A408 V409 F434G396-A408 WeakPolarHBondContact O-CA 3.39Å; G396-V409 PolarHBondContact N-O 2.93Å; G396-V409 PolarHBondContact O-N 2.99Å; G396-F434 VanDerWaalsContact C-CD1 3.42Å
397C87.9Confident77.1Confident0 Ų049.9 Ų49.90%029%0.288CS..EExtended strand (participates in β ladder)trans-88.7126.2178.3-161.80000111.2H399 C405 F434 T435 H436C397-H399 PolarHBondContact SG-O 3.09Å; C397-C405 WeakPolarHBondContact CA-SG 3.31Å; C397-C405 HydrophobicContact CB-CB 3.92Å; C397-C405 WeakPolarHBondContact CB-SG 3.26Å; C397-C405 WeakPolarHBondContact SG-CB 3.34Å; C397-C405 CovalentContact SG-SG 2.02Å; C397-C405 PolarHBondContact SG-SG 3.1Å; C397-F434 CarbonylContact O-C 3.57Å; C397-F434 WeakPolarHBondContact O-CA 3.17Å; C397-T435 PolarHBondContact O-N 3.08Å; C397-T435 PolarHBondContact O-OG1 2.81Å; C397-H436 HydrophobicContact CB-CB 4.09Å; C397-H436 WeakPolarHBondContact CB-O 3.5Å; C397-H436 PolarHBondContact N-O 2.97Å
398L81.9Confident77.5Confident69 Ų6945.4 Ų45.436%0.36126%0.264SS..EExtended strand (participates in β ladder)trans-78.5-51.6177.2-68.5170.3000111H407 V409 F434 T435L398-H407 PolarHBondContact N-O 3.23Å; L398-V409 HydrophobicContact CD1-CG2 4.12Å; L398-V409 HydrophobicContact CG-CG2 4.3Å; L398-F434 HydrophobicContact CD2-CD1 3.85Å; L398-F434 HydrophobicContact CD2-CE1 3.75Å; L398-F434 HydrophobicContact CG-CD1 4.33Å; L398-F434 HydrophobicContact CG-CE1 4.24Å; L398-T435 WeakPolarHBondContact O-CG2 3.18Å
399H74Confident78Confident159 Ų15946.8 Ų46.874%0.73627%0.273SS*.EExtended strand (participates in β ladder)trans-127.6106.3176.9-62.790.7000108.4C397C397-H399 PolarHBondContact SG-O 3.09Å
400G62.6Low78.6Confident19 Ų1942.6 Ų42.620%0.19625%0.253CS..EExtended strand (participates in β ladder)trans-125.7134.6179.300000110.9
401N65.8Low79.1Confident127 Ų12741.4 Ų41.468%0.67925%0.248SC*.EExtended strand (participates in β ladder)trans-80.5166.3162.3-71.3-10.5000108.4S403 S404N401-S403 PolarHBondContact O-N 3.16Å; N401-S404 PolarHBondContact N-O 2.95Å; N401-S404 PolarHBondContact O-N 3.2Å
402A61.6Low79.6Confident67 Ų6739.7 Ų39.755%0.55424%0.236SC*.THydrogen-bonded Turntrans-56.4-20.4-178.900000114.1
403S67.8Low79.4Confident81 Ų8142.7 Ų42.757%0.56625%0.249SC*.THydrogen-bonded Turntrans-107.4-22.2-173.557.30000116.1W346 N401W346-S403 WeakPolarHBondContact CB-O 3.47Å; N401-S403 PolarHBondContact O-N 3.16Å
404S76.4Confident79.2Confident19 Ų1943.7 Ų43.713%0.13326%0.258CS..EExtended strand (participates in β ladder)trans-157.7160.6-177.169.60000113.6D341 N401D341-S404 WeakPolarHBondContact OD1-CB 3.26Å; D341-S404 PolarHBondContact OD1-OG 3.22Å; D341-S404 PolarHBondContact OD2-OG 2.86Å; D341-S404 VanDerWaalsContact OD2-OG 3.07Å; N401-S404 PolarHBondContact N-O 2.95Å; N401-S404 PolarHBondContact O-N 3.2Å
405C78.6Confident79.1Confident0 Ų043.7 Ų43.70%026%0.259CS..EExtended strand (participates in β ladder)trans-121.4111.8175.7-1770000110.9W346 C397 H407 V438W346-C405 HydrophobicContact CH2-CB 3.89Å; W346-C405 HydrophobicContact CZ3-CB 4.37Å; C397-C405 WeakPolarHBondContact CA-SG 3.31Å; C397-C405 HydrophobicContact CB-CB 3.92Å; C397-C405 WeakPolarHBondContact CB-SG 3.26Å; C397-C405 WeakPolarHBondContact SG-CB 3.34Å; C397-C405 CovalentContact SG-SG 2.02Å; C397-C405 PolarHBondContact SG-SG 3.1Å; C405-H407 PolarHBondContact SG-O 3.19Å; C405-V438 HydrophobicContact CB-CG2 4.15Å
406G70.8Confident79.1Confident41 Ų4145.1 Ų45.142%0.42327%0.266SS..EExtended strand (participates in β ladder)trans-77.2-42.9179.200000113.7
407H79.3Confident79.2Confident131 Ų13146.8 Ų46.861%0.60627%0.274SS*.EExtended strand (participates in β ladder)trans-121113.8179.3-77-79.7000111.7L398 C405L398-H407 PolarHBondContact N-O 3.23Å; C405-H407 PolarHBondContact SG-O 3.19Å
408A83.6Confident79.3Confident2 Ų246.9 Ų46.92%0.01728%0.275CS..EExtended strand (participates in β ladder)trans-121.3143.6-17800000112.2V337 I339 F395 G396V337-A408 PolarHBondContact N-O 3.15Å; V337-A408 VanDerWaalsContact N-O 3.12Å; I339-A408 HydrophobicContact CD1-CB 3.41Å; I339-A408 VanDerWaalsContact CD1-CB 3.41Å; I339-A408 HydrophobicContact CG1-CB 3.96Å; F395-A408 HydrophobicContact CB-CB 3.83Å; F395-A408 HydrophobicContact CG-CB 4.43Å; G396-A408 WeakPolarHBondContact O-CA 3.39Å
409V86.4Confident79.5Confident38 Ų3845.7 Ų45.723%0.2327%0.271CS..EExtended strand (participates in β ladder)trans-103.4131.3172.7179.20000108.6T335 F395 G396 L398 L411 F434T335-V409 WeakPolarHBondContact O-CA 3.4Å; F395-V409 CarbonylContact C-O 3.59Å; F395-V409 VanDerWaalsContact CA-O 3.23Å; F395-V409 WeakPolarHBondContact CA-O 3.29Å; G396-V409 PolarHBondContact N-O 2.93Å; G396-V409 PolarHBondContact O-N 2.99Å; L398-V409 HydrophobicContact CD1-CG2 4.12Å; L398-V409 HydrophobicContact CG-CG2 4.3Å; V409-L411 PolarHBondContact O-N 2.93Å; V409-F434 HydrophobicContact CB-CE1 3.81Å; V409-F434 HydrophobicContact CB-CZ 4.08Å; V409-F434 HydrophobicContact CG1-CZ 4.34Å; V409-F434 HydrophobicContact CG2-CE1 3.87Å; V409-F434 HydrophobicContact CG2-CZ 4.38Å
410D85.4Confident80.1Confident14 Ų1439.7 Ų39.78%0.07525%0.249CC..EExtended strand (participates in β ladder)trans-75.5114.6179.7-175.58.5000111.7R327 T335 S392 F395 S412R327-D410 IonicContact CZ-OD2 3.71Å; R327-D410 IonicContact NH1-OD2 3.6Å; R327-D410 PolarHBondContact NH1-OD2 3.2Å; T335-D410 PolarHBondContact O-N 3.24Å; S392-D410 VanDerWaalsContact CB-OD2 3.23Å; S392-D410 WeakPolarHBondContact CB-OD2 3.3Å; S392-D410 PolarHBondContact OG-OD2 2.63Å; F395-D410 HydrophobicContact CD1-CB 3.93Å; F395-D410 HydrophobicContact CE1-CB 3.97Å; D410-S412 WeakPolarHBondContact OD1-CB 3.42Å; D410-S412 PolarHBondContact OD1-N 3.03Å; D410-S412 PolarHBondContact OD1-OG 3.5Å
411L86.9Confident81.3Confident29 Ų2938.9 Ų38.915%0.15224%0.24CC..  trans-95.81.7178.3-60.6177000112.3V394 V409 M413 G414 L426 L431 F434 L437V394-L411 PolarHBondContact O-N 2.92Å; V409-L411 PolarHBondContact O-N 2.93Å; L411-M413 PolarHBondContact O-N 2.94Å; L411-M413 VanDerWaalsContact O-N 3.08Å; L411-G414 PolarHBondContact O-N 3.44Å; L411-L426 HydrophobicContact CD1-CD1 4.14Å; L411-L431 HydrophobicContact CD1-CD2 3.66Å; L411-L431 HydrophobicContact CD2-CD2 4.27Å; L411-F434 HydrophobicContact CD1-CE2 4.46Å; L411-F434 HydrophobicContact CD2-CE2 4.07Å; L411-F434 HydrophobicContact CD2-CZ 4.11Å; L411-L437 HydrophobicContact CD1-CD2 3.66Å
412S85.1Confident82.4Confident1 Ų133.2 Ų33.21%0.00721%0.209CC..G310 helixtrans-68.5-9.8-175.1-47.60000113.5S391 S392 W393 V394 D410 G414 T415S391-S412 WeakPolarHBondContact O-CB 3.09Å; S392-S412 WeakPolarHBondContact CA-OG 3Å; W393-S412 PolarHBondContact N-OG 3.21Å; V394-S412 PolarHBondContact N-OG 3.15Å; V394-S412 PolarHBondContact O-N 2.85Å; V394-S412 PolarHBondContact O-OG 3.46Å; D410-S412 WeakPolarHBondContact OD1-CB 3.42Å; D410-S412 PolarHBondContact OD1-N 3.03Å; D410-S412 PolarHBondContact OD1-OG 3.5Å; S412-G414 PolarHBondContact O-N 3.14Å; S412-T415 WeakPolarHBondContact O-CB 3.36Å; S412-T415 PolarHBondContact O-N 3.39Å; S412-T415 PolarHBondContact O-OG1 2.91Å
413M79.3Confident83.9Confident88 Ų8830.1 Ų30.143%0.43318%0.183SC..G310 helixtrans-60-26.2171.6-69.9-58.4-6700112.8L411 T415L411-M413 PolarHBondContact O-N 2.94Å; L411-M413 VanDerWaalsContact O-N 3.08Å; M413-T415 PolarHBondContact O-N 3.19Å
414G81.9Confident85Confident20 Ų2026.3 Ų26.321%0.20616%0.157CC..G310 helixtrans-75.32.5171.700000114.3R323 L411 S412 L424R323-G414 VanDerWaalsContact NH2-C 3.28Å; R323-G414 PolarHBondContact NH2-O 3.44Å; L411-G414 PolarHBondContact O-N 3.44Å; S412-G414 PolarHBondContact O-N 3.14Å; G414-L424 VanDerWaalsContact O-CD1 3.22Å; G414-L424 WeakPolarHBondContact O-CD1 3.27Å
415T88.6Confident85.7Confident1 Ų128.2 Ų28.21%0.00617%0.167CC..EExtended strand (participates in β ladder)trans-66.5142.8-180-56.40000109.9P325 V326 W393 S412 M413 K422 V423P325-T415 VanDerWaalsContact CA-O 3.3Å; P325-T415 WeakPolarHBondContact CA-O 3.43Å; V326-T415 HydrophobicContact CG2-CG2 4.35Å; W393-T415 PolarHBondContact NE1-OG1 3.27Å; S412-T415 WeakPolarHBondContact O-CB 3.36Å; S412-T415 PolarHBondContact O-N 3.39Å; S412-T415 PolarHBondContact O-OG1 2.91Å; M413-T415 PolarHBondContact O-N 3.19Å; T415-K422 HydrophobicContact CG2-CB 3.69Å; T415-K422 HydrophobicContact CG2-CD 4.08Å; T415-K422 HydrophobicContact CG2-CG 3.97Å; T415-V423 CarbonylContact C-O 3.57Å; T415-V423 WeakPolarHBondContact CA-O 3.47Å
416E88.9Confident86.2Confident42 Ų4229.1 Ų29.120%0.19617%0.172CC..EExtended strand (participates in β ladder)trans-124.6131.8172-176.7175.6-169.500108.8R323 L418 K422 V423 R534R323-E416 HydrophobicContact CG-CG 4.39Å; E416-L418 HydrophobicContact CG-CD2 4.44Å; E416-K422 CarbonylContact O-C 3.51Å; E416-K422 WeakPolarHBondContact O-CA 3.42Å; E416-V423 HydrophobicContact CB-CG2 3.99Å; E416-V423 PolarHBondContact N-O 3.31Å; E416-V423 PolarHBondContact O-N 3.44Å; E416-R534 IonicContact OE1-CZ 2.69Å; E416-R534 IonicContact OE1-NH1 3.39Å; E416-R534 PolarHBondContact OE1-NH1 3.03Å; E416-R534 IonicContact OE1-NH2 2.71Å; E416-R534 PolarHBondContact OE1-NH2 3.28Å; E416-R534 IonicContact OE2-NH1 2.78Å; E416-R534 PolarHBondContact OE2-NH1 2.86Å
417L90.1Very high87.1Confident34 Ų3428.8 Ų28.818%0.17816%0.164CC..EExtended strand (participates in β ladder)trans-84.3123.6175.8-176.166.4000110.2R271 W273 H324 V326 K422R271-L417 HydrophobicContact CG-CD2 3.72Å; W273-L417 HydrophobicContact CH2-CD2 4.09Å; W273-L417 HydrophobicContact CH2-CG 3.95Å; W273-L417 HydrophobicContact CZ2-CG 4.2Å; W273-L417 WeakPolarHBondContact CZ2-O 3.37Å; H324-L417 HydrophobicContact CB-CB 4.38Å; H324-L417 WeakPolarHBondContact O-CB 3.33Å; H324-L417 PolarHBondContact O-N 3.32Å; V326-L417 HydrophobicContact CG2-CB 4.12Å; V326-L417 HydrophobicContact CG2-CD1 4.08Å; L417-K422 HydrophobicContact CD1-CB 4.44Å
418L90.1Very high87.5Confident2 Ų222.9 Ų22.91%0.0114%0.136CC..  trans-108167.2169.3-56.1-177.6000110W273 E416 A420 Y421 V423 V532 F545W273-L418 VanDerWaalsContact CH2-C 3.5Å; W273-L418 WeakPolarHBondContact CH2-O 3.45Å; E416-L418 HydrophobicContact CG-CD2 4.44Å; L418-A420 VanDerWaalsContact C-N 3.26Å; L418-A420 PolarHBondContact O-N 3.46Å; L418-A420 VanDerWaalsContact O-N 3.1Å; L418-Y421 CarbonylContact C-O 3.48Å; L418-Y421 WeakPolarHBondContact CA-O 3.41Å; L418-Y421 VanDerWaalsContact CB-O 3.29Å; L418-Y421 WeakPolarHBondContact CB-O 3.44Å; L418-Y421 HydrophobicContact CD1-CD2 4.39Å; L418-Y421 HydrophobicContact CD1-CE2 3.97Å; L418-Y421 PolarHBondContact N-O 3.42Å; L418-Y421 PolarHBondContact O-N 3Å; L418-Y421 VanDerWaalsContact O-O 3.13Å; L418-V423 HydrophobicContact CD1-CB 4.36Å; L418-V423 HydrophobicContact CD1-CG1 3.48Å; L418-V423 VanDerWaalsContact CD1-CG1 3.48Å; L418-V423 HydrophobicContact CD1-CG2 3.88Å; L418-V423 HydrophobicContact CG-CG1 4.11Å; L418-V423 HydrophobicContact CG-CG2 3.98Å; L418-V532 HydrophobicContact CB-CG1 4.46Å; L418-V532 HydrophobicContact CD1-CG1 4.43Å; L418-F545 HydrophobicContact CD2-CE1 3.93Å
419P87.1Confident87.6Confident45 Ų4526.4 Ų26.429%0.29217%0.166SC..SBendtrans-51.3-35.6-176.7-3033.6000116.8W273 F545 T547W273-P419 HydrophobicContact CB-CG 4.4Å; W273-P419 HydrophobicContact CD2-CB 4.31Å; W273-P419 HydrophobicContact CD2-CG 3.63Å; W273-P419 HydrophobicContact CE3-CB 3.93Å; W273-P419 HydrophobicContact CE3-CG 3.78Å; W273-P419 HydrophobicContact CG-CG 3.95Å; W273-P419 HydrophobicContact CZ2-CG 4.44Å; W273-P419 VanDerWaalsContact CZ3-CA 3.41Å; W273-P419 HydrophobicContact CZ3-CB 4.11Å; W273-P419 HydrophobicContact CZ3-CG 4.25Å; P419-F545 HydrophobicContact CG-CB 4.01Å; P419-F545 HydrophobicContact CG-CD1 4.18Å; P419-F545 HydrophobicContact CG-CG 4.22Å; P419-T547 HydrophobicContact CB-CG2 3.79Å; P419-T547 HydrophobicContact CG-CG2 4.34Å
420A85.2Confident87.5Confident32 Ų3230.7 Ų30.726%0.26419%0.187SC..SBendtrans-109.8-17.9-174.300000114.5L418 P530 V532L418-A420 VanDerWaalsContact C-N 3.26Å; L418-A420 PolarHBondContact O-N 3.46Å; L418-A420 VanDerWaalsContact O-N 3.1Å; A420-P530 HydrophobicContact CB-CG 3.68Å; A420-V532 HydrophobicContact CB-CG2 4.04Å
421Y88.2Confident87.4Confident2 Ų230.4 Ų30.41%0.00819%0.186CC..  trans-164.5162.9-174.941.4-97000110.9R384 S385 L418 V423 P530 V532 H576R384-Y421 HydrophobicContact CB-CD2 3.85Å; R384-Y421 HydrophobicContact CB-CE2 4.17Å; R384-Y421 HydrophobicContact CG-CD2 4.49Å; R384-Y421 PolarHBondContact NH1-OH 2.59Å; R384-Y421 VanDerWaalsContact NH1-OH 3.17Å; S385-Y421 WeakPolarHBondContact O-CA 3.5Å; S385-Y421 WeakPolarHBondContact O-CB 3.5Å; L418-Y421 CarbonylContact C-O 3.48Å; L418-Y421 WeakPolarHBondContact CA-O 3.41Å; L418-Y421 VanDerWaalsContact CB-O 3.29Å; L418-Y421 WeakPolarHBondContact CB-O 3.44Å; L418-Y421 HydrophobicContact CD1-CD2 4.39Å; L418-Y421 HydrophobicContact CD1-CE2 3.97Å; L418-Y421 PolarHBondContact N-O 3.42Å; L418-Y421 PolarHBondContact O-N 3Å; L418-Y421 VanDerWaalsContact O-O 3.13Å; Y421-V423 HydrophobicContact CD2-CG1 3.44Å; Y421-V423 VanDerWaalsContact CD2-CG1 3.44Å; Y421-V423 HydrophobicContact CE2-CG1 3.52Å; Y421-P530 VanDerWaalsContact CE1-O 3.29Å; Y421-P530 WeakPolarHBondContact CE1-O 2.97Å; Y421-V532 HydrophobicContact CE1-CG2 3.7Å; Y421-V532 HydrophobicContact CE2-CG2 4.43Å; Y421-H576 HydrophobicContact CE2-CB 4.35Å; Y421-H576 WeakPolarHBondContact OH-CB 3.29Å
422K90.1Very high87.2Confident8 Ų833.1 Ų33.14%0.03521%0.207CC..EExtended strand (participates in β ladder)trans-88.6144.7166.874.1-167.3-174.4-173.40110.1V326 R384 S385 L388 M390 T415 E416 L417V326-K422 HydrophobicContact CG2-CB 4.18Å; V326-K422 HydrophobicContact CG2-CD 4.34Å; R384-K422 CarbonylContact C-O 3.13Å; R384-K422 VanDerWaalsContact CA-O 3.27Å; R384-K422 WeakPolarHBondContact CA-O 3.08Å; S385-K422 PolarHBondContact N-O 3.37Å; S385-K422 PolarHBondContact O-N 3.16Å; L388-K422 PolarHBondContact O-NZ 3.15Å; M390-K422 PolarHBondContact O-NZ 2.68Å; T415-K422 HydrophobicContact CG2-CB 3.69Å; T415-K422 HydrophobicContact CG2-CD 4.08Å; T415-K422 HydrophobicContact CG2-CG 3.97Å; E416-K422 CarbonylContact O-C 3.51Å; E416-K422 WeakPolarHBondContact O-CA 3.42Å; L417-K422 HydrophobicContact CD1-CB 4.44Å
423V91.6Very high87.1Confident2 Ų236.6 Ų36.61%0.01223%0.231CC..EExtended strand (participates in β ladder)trans-125.1151.2179.2-58.30000110.5Y382 C383 R384 T415 E416 L418 Y421Y382-V423 HydrophobicContact CE2-CB 4.34Å; Y382-V423 HydrophobicContact CE2-CG1 4.42Å; Y382-V423 WeakPolarHBondContact OH-CG1 3.4Å; C383-V423 CarbonylContact O-C 3.55Å; C383-V423 WeakPolarHBondContact O-CA 3.24Å; R384-V423 HydrophobicContact CB-CG1 3.94Å; T415-V423 CarbonylContact C-O 3.57Å; T415-V423 WeakPolarHBondContact CA-O 3.47Å; E416-V423 HydrophobicContact CB-CG2 3.99Å; E416-V423 PolarHBondContact N-O 3.31Å; E416-V423 PolarHBondContact O-N 3.44Å; L418-V423 HydrophobicContact CD1-CB 4.36Å; L418-V423 HydrophobicContact CD1-CG1 3.48Å; L418-V423 VanDerWaalsContact CD1-CG1 3.48Å; L418-V423 HydrophobicContact CD1-CG2 3.88Å; L418-V423 HydrophobicContact CG-CG1 4.11Å; L418-V423 HydrophobicContact CG-CG2 3.98Å; Y421-V423 HydrophobicContact CD2-CG1 3.44Å; Y421-V423 VanDerWaalsContact CD2-CG1 3.44Å; Y421-V423 HydrophobicContact CE2-CG1 3.52Å
424L91.6Very high87.5Confident1 Ų133.5 Ų33.51%0.00522%0.215CC..EExtended strand (participates in β ladder)trans-133.5127.5170178.968.2000107.9C383 W393 V394 G414 L426C383-L424 PolarHBondContact N-O 3.36Å; C383-L424 PolarHBondContact O-N 3.15Å; W393-L424 HydrophobicContact CH2-CB 4.03Å; W393-L424 HydrophobicContact CZ2-CB 3.59Å; W393-L424 HydrophobicContact CZ2-CD2 4.42Å; V394-L424 HydrophobicContact CB-CD2 3.49Å; V394-L424 VanDerWaalsContact CB-CD2 3.49Å; V394-L424 HydrophobicContact CG1-CD2 3.71Å; V394-L424 HydrophobicContact CG2-CD2 3.47Å; V394-L424 VanDerWaalsContact CG2-CD2 3.47Å; G414-L424 VanDerWaalsContact O-CD1 3.22Å; G414-L424 WeakPolarHBondContact O-CD1 3.27Å; L424-L426 HydrophobicContact CD1-CD2 3.84Å; L424-L426 HydrophobicContact CD1-CG 4.31Å; L424-L426 HydrophobicContact CD2-CD1 3.96Å; L424-L426 HydrophobicContact CD2-CD2 4.22Å; L424-L426 HydrophobicContact CD2-CG 4.03Å; L424-L426 HydrophobicContact CG-CD1 4.41Å; L424-L426 HydrophobicContact CG-CD2 4.03Å; L424-L426 HydrophobicContact CG-CG 3.93Å
425V90.4Very high87.7Confident59 Ų5934.7 Ų34.736%0.35822%0.219SC..EExtended strand (participates in β ladder)trans-119.7119.2174-169.20000107.1Y382 L488Y382-V425 HydrophobicContact CD2-CG2 3.7Å; Y382-V425 HydrophobicContact CE2-CG2 4.08Å; V425-L488 HydrophobicContact CG2-CD2 4.49Å
426L89.9Confident87.7Confident19 Ų1935.8 Ų35.810%0.09922%0.224CC..EExtended strand (participates in β ladder)trans-114131.3178.3-60.3176.3000109.6H380 F381 V394 L411 L424 L431 L437H380-L426 WeakPolarHBondContact CA-O 3.33Å; F381-L426 HydrophobicContact CD1-CD1 4.36Å; F381-L426 PolarHBondContact N-O 3.47Å; F381-L426 PolarHBondContact O-N 3.46Å; V394-L426 HydrophobicContact CG1-CD1 4.27Å; L411-L426 HydrophobicContact CD1-CD1 4.14Å; L424-L426 HydrophobicContact CD1-CD2 3.84Å; L424-L426 HydrophobicContact CD1-CG 4.31Å; L424-L426 HydrophobicContact CD2-CD1 3.96Å; L424-L426 HydrophobicContact CD2-CD2 4.22Å; L424-L426 HydrophobicContact CD2-CG 4.03Å; L424-L426 HydrophobicContact CG-CD1 4.41Å; L424-L426 HydrophobicContact CG-CD2 4.03Å; L424-L426 HydrophobicContact CG-CG 3.93Å; L426-L431 HydrophobicContact CB-CD1 3.95Å; L426-L431 HydrophobicContact CD1-CD1 4.09Å; L426-L437 HydrophobicContact CD1-CD1 4.4Å; L426-L437 HydrophobicContact CD1-CD2 4.19Å
427S89.4Confident87.7Confident35 Ų3533.8 Ų33.825%0.24521%0.214CC..EExtended strand (participates in β ladder)trans-76.6128.8166.6173.40000108.9A429 D430 L431S427-A429 PolarHBondContact O-N 2.98Å; S427-A429 PolarHBondContact OG-N 3.38Å; S427-D430 WeakPolarHBondContact CB-OD2 3.47Å; S427-D430 PolarHBondContact O-N 2.91Å; S427-L431 WeakPolarHBondContact O-CG 3.46Å
428L87.5Confident87.7Confident6 Ų632.1 Ų32.13%0.03121%0.206CC..SBendtrans-73-18.4179.3-59.9-175.4000112.8L371 R375 S379 F381 L431 W455L371-L428 HydrophobicContact CD2-CD2 3.97Å; R375-L428 HydrophobicContact CG-CB 4.44Å; S379-L428 WeakPolarHBondContact O-CB 3.29Å; S379-L428 WeakPolarHBondContact O-CG 3.34Å; S379-L428 PolarHBondContact O-N 3.36Å; F381-L428 HydrophobicContact CB-CD2 4Å; L428-L431 HydrophobicContact CD2-CD1 4.2Å; L428-W455 HydrophobicContact CD1-CE3 3.87Å; L428-W455 HydrophobicContact CD1-CZ3 3.73Å; L428-W455 HydrophobicContact CD2-CE3 4.4Å; L428-W455 HydrophobicContact CD2-CZ3 3.72Å; L428-W455 HydrophobicContact CG-CZ3 4.38Å
429A85.1Confident87.6Confident77 Ų7732 Ų3264%0.63621%0.205SC*.SBendtrans-66.9-38.5174.300000111.8S427 L431S427-A429 PolarHBondContact O-N 2.98Å; S427-A429 PolarHBondContact OG-N 3.38Å; A429-L431 PolarHBondContact O-N 3.48Å
430D84.5Confident87.7Confident128 Ų12830 Ų3068%0.68419%0.192SC*.THydrogen-bonded Turntrans-76.9-12.5-176.8-58.1-19.9000112.7S427S427-D430 WeakPolarHBondContact CB-OD2 3.47Å; S427-D430 PolarHBondContact O-N 2.91Å
431L84.5Confident87.7Confident8 Ų828.5 Ų28.54%0.04218%0.18CC..THydrogen-bonded Turntrans-99.921.9-174.4-64.7175.7000113.2R375 L411 L426 S427 L428 A429 S433 F434 L437R375-L431 PolarHBondContact NH2-O 2.84Å; L411-L431 HydrophobicContact CD1-CD2 3.66Å; L411-L431 HydrophobicContact CD2-CD2 4.27Å; L426-L431 HydrophobicContact CB-CD1 3.95Å; L426-L431 HydrophobicContact CD1-CD1 4.09Å; S427-L431 WeakPolarHBondContact O-CG 3.46Å; L428-L431 HydrophobicContact CD2-CD1 4.2Å; A429-L431 PolarHBondContact O-N 3.48Å; L431-S433 PolarHBondContact O-N 3.3Å; L431-S433 VanDerWaalsContact O-N 3.13Å; L431-F434 HydrophobicContact CB-CD2 4.07Å; L431-F434 HydrophobicContact CD2-CD2 3.66Å; L431-F434 HydrophobicContact CD2-CE2 3.75Å; L431-F434 HydrophobicContact CG-CD2 4.47Å; L431-F434 PolarHBondContact O-N 2.87Å; L431-F434 VanDerWaalsContact O-N 3.12Å; L431-L437 HydrophobicContact CD1-CD1 4.21Å; L431-L437 HydrophobicContact CD1-CD2 4.07Å
432S81.6Confident87.5Confident86 Ų8628.6 Ų28.660%0.60118%0.181SC*.THydrogen-bonded Turntrans-55.3-32.9-172.460.20000114R375 F434R375-S432 PolarHBondContact NH1-O 3.08Å; R375-S432 VanDerWaalsContact NH1-O 3.11Å; R375-S432 PolarHBondContact NH2-O 3.2Å; S432-F434 VanDerWaalsContact C-N 3.34Å; S432-F434 PolarHBondContact O-N 3.32Å
433S84.1Confident86.9Confident73 Ų7328.4 Ų28.451%0.5118%0.18SC..THydrogen-bonded Turntrans-74.9-11.2-178.554.10000115.7L431L431-S433 PolarHBondContact O-N 3.3Å; L431-S433 VanDerWaalsContact O-N 3.13Å
434F86.9Confident86Confident23 Ų2334 Ų3410%0.10121%0.209CC..  trans-102.4149-176.2-57.4-69.4000112.5L371 R375 G396 C397 L398 V409 L411 L431 S432L371-F434 HydrophobicContact CD1-CB 3.85Å; R375-F434 PolarHBondContact NH2-O 2.65Å; G396-F434 VanDerWaalsContact C-CD1 3.42Å; C397-F434 CarbonylContact O-C 3.57Å; C397-F434 WeakPolarHBondContact O-CA 3.17Å; L398-F434 HydrophobicContact CD2-CD1 3.85Å; L398-F434 HydrophobicContact CD2-CE1 3.75Å; L398-F434 HydrophobicContact CG-CD1 4.33Å; L398-F434 HydrophobicContact CG-CE1 4.24Å; V409-F434 HydrophobicContact CB-CE1 3.81Å; V409-F434 HydrophobicContact CB-CZ 4.08Å; V409-F434 HydrophobicContact CG1-CZ 4.34Å; V409-F434 HydrophobicContact CG2-CE1 3.87Å; V409-F434 HydrophobicContact CG2-CZ 4.38Å; L411-F434 HydrophobicContact CD1-CE2 4.46Å; L411-F434 HydrophobicContact CD2-CE2 4.07Å; L411-F434 HydrophobicContact CD2-CZ 4.11Å; L431-F434 HydrophobicContact CB-CD2 4.07Å; L431-F434 HydrophobicContact CD2-CD2 3.66Å; L431-F434 HydrophobicContact CD2-CE2 3.75Å; L431-F434 HydrophobicContact CG-CD2 4.47Å; L431-F434 PolarHBondContact O-N 2.87Å; L431-F434 VanDerWaalsContact O-N 3.12Å; S432-F434 VanDerWaalsContact C-N 3.34Å; S432-F434 PolarHBondContact O-N 3.32Å
435T86.3Confident85.1Confident46 Ų4638.9 Ų38.928%0.28224%0.236SC..SBendtrans-94.8-41.1175.354.40000112.3L371 P372 C397 L398L371-T435 WeakPolarHBondContact CB-O 3.38Å; L371-T435 PolarHBondContact N-O 3.05Å; L371-T435 VanDerWaalsContact N-O 3.14Å; P372-T435 WeakPolarHBondContact CD-O 3.46Å; C397-T435 PolarHBondContact O-N 3.08Å; C397-T435 PolarHBondContact O-OG1 2.81Å; L398-T435 WeakPolarHBondContact O-CG2 3.18Å
436H87.8Confident84.2Confident23 Ų2339.8 Ų39.811%0.10624%0.244CC..EExtended strand (participates in β ladder)trans-133.2149.8-179.1-62.780.5000110.9L368 F369 C397L368-H436 HydrophobicContact CD2-CB 3.88Å; F369-H436 CarbonylContact O-C 3.59Å; F369-H436 VanDerWaalsContact O-CA 3.31Å; F369-H436 WeakPolarHBondContact O-CA 3.4Å; C397-H436 HydrophobicContact CB-CB 4.09Å; C397-H436 WeakPolarHBondContact CB-O 3.5Å; C397-H436 PolarHBondContact N-O 2.97Å
437L89.8Confident83.7Confident0 Ų044.2 Ų44.20%026%0.263CS..EExtended strand (participates in β ladder)trans-97.2135.4163.2-71.8173.7000109.3F369 L371 F381 L411 L426 L431F369-L437 HydrophobicContact CB-CB 4.06Å; F369-L437 PolarHBondContact N-O 3.11Å; F369-L437 PolarHBondContact O-N 2.85Å; L371-L437 HydrophobicContact CD1-CG 4.06Å; L371-L437 HydrophobicContact CD2-CD1 3.86Å; L371-L437 HydrophobicContact CD2-CG 3.97Å; L371-L437 HydrophobicContact CG-CG 4.18Å; F381-L437 HydrophobicContact CB-CD1 4.31Å; F381-L437 HydrophobicContact CD1-CD1 3.66Å; F381-L437 HydrophobicContact CD2-CD1 4.49Å; F381-L437 HydrophobicContact CE1-CD1 3.94Å; F381-L437 HydrophobicContact CG-CD1 3.94Å; F381-L437 HydrophobicContact CZ-CD1 4.49Å; L411-L437 HydrophobicContact CD1-CD2 3.66Å; L426-L437 HydrophobicContact CD1-CD1 4.4Å; L426-L437 HydrophobicContact CD1-CD2 4.19Å; L431-L437 HydrophobicContact CD1-CD1 4.21Å; L431-L437 HydrophobicContact CD1-CD2 4.07Å
438V89.4Confident83.4Confident0 Ų045.8 Ų45.80%027%0.266CS..EExtended strand (participates in β ladder)trans-113.3122.1177.4-176.70000108.6I339 W346 Y366 F367 L368 V394 F395 C405I339-V438 HydrophobicContact CD1-CG1 4.38Å; W346-V438 HydrophobicContact CH2-CG1 4.09Å; W346-V438 HydrophobicContact CH2-CG2 4.4Å; W346-V438 HydrophobicContact CZ3-CB 4.47Å; W346-V438 HydrophobicContact CZ3-CG1 3.61Å; W346-V438 HydrophobicContact CZ3-CG2 3.97Å; Y366-V438 HydrophobicContact CD1-CG1 4.15Å; F367-V438 CarbonylContact O-C 3.56Å; F367-V438 VanDerWaalsContact O-CA 3.32Å; F367-V438 WeakPolarHBondContact O-CA 3.36Å; L368-V438 HydrophobicContact CD2-CG2 3.73Å; V394-V438 CarbonylContact C-O 3.53Å; V394-V438 WeakPolarHBondContact CA-O 3.37Å; F395-V438 HydrophobicContact CB-CB 4.22Å; F395-V438 PolarHBondContact N-O 3.03Å; F395-V438 PolarHBondContact O-N 3.42Å; C405-V438 HydrophobicContact CB-CG2 4.15Å
439V89.8Confident83.2Confident0 Ų045.8 Ų45.80%027%0.266CS..EExtended strand (participates in β ladder)trans-105.4113.8171.1-178.30000108.5F367 F369 F381 W393 V394 V451F367-V439 HydrophobicContact CB-CB 4.36Å; F367-V439 PolarHBondContact N-O 2.94Å; F367-V439 PolarHBondContact O-N 3.16Å; F369-V439 HydrophobicContact CD2-CG2 4.09Å; F369-V439 HydrophobicContact CE2-CB 4.23Å; F369-V439 HydrophobicContact CE2-CG2 3.68Å; F381-V439 HydrophobicContact CE1-CG2 4.27Å; F381-V439 HydrophobicContact CZ-CG2 4.17Å; W393-V439 HydrophobicContact CE3-CG1 4.04Å; W393-V439 HydrophobicContact CZ3-CG1 4.18Å; W393-V439 CarbonylContact O-C 3.51Å; V394-V439 HydrophobicContact CG2-CG2 4.32Å; V439-V451 HydrophobicContact CG1-CG1 3.9Å
440S87.9Confident83.4Confident2 Ų243.3 Ų43.31%0.01424%0.243CC..EExtended strand (participates in β ladder)trans-82.9120.2174.5-178.50000110.2Y366 M390 W393Y366-S440 WeakPolarHBondContact CE1-OG 3.47Å; M390-S440 WeakPolarHBondContact CE-OG 3.38Å; W393-S440 PolarHBondContact O-N 3.29Å
441A85.4Confident83.6Confident0 Ų037.2 Ų37.20%021%0.211CC..  trans-126.638.7179.800000110.8Y356 K365 F367 F449 V451Y356-A441 HydrophobicContact CD1-CB 3.74Å; Y356-A441 HydrophobicContact CE1-CB 3.77Å; K365-A441 CarbonylContact O-C 3.55Å; K365-A441 PolarHBondContact O-N 3.17Å; F367-A441 HydrophobicContact CD2-CB 4.08Å; F367-A441 HydrophobicContact CE2-CB 3.8Å; A441-F449 HydrophobicContact CB-CE2 4.17Å; A441-F449 WeakPolarHBondContact O-CZ 3.43Å; A441-V451 HydrophobicContact CB-CG2 4.05Å
442S83.2Confident83.8Confident5 Ų537.4 Ų37.44%0.03521%0.211CC..  trans-71.5130.6179.3-61.50000112Q363 L364 K365Q363-S442 WeakPolarHBondContact O-CA 3.4Å; L364-S442 WeakPolarHBondContact CD1-OG 3.31Å; L364-S442 WeakPolarHBondContact CG-OG 3.21Å; K365-S442 PolarHBondContact N-OG 3.42Å; K365-S442 VanDerWaalsContact N-OG 3.15Å
443N78.5Confident84.3Confident4 Ų433.3 Ų33.32%0.02118%0.183CC..  trans-99.283.6176.2-174.613.9000110.6T358 P359 G362 Q363 S446 K447 F449T358-N443 HydrophobicContact CG2-CB 3.97Å; P359-N443 PolarHBondContact O-ND2 3.26Å; G362-N443 WeakPolarHBondContact CA-O 3.42Å; Q363-N443 PolarHBondContact N-O 3.4Å; Q363-N443 PolarHBondContact O-N 3.34Å; N443-S446 WeakPolarHBondContact OD1-CA 3.46Å; N443-S446 PolarHBondContact OD1-N 3.17Å; N443-S446 VanDerWaalsContact OD1-N 3.13Å; N443-K447 PolarHBondContact OD1-N 3.21Å; N443-K447 VanDerWaalsContact OD1-N 3.09Å; N443-K447 PolarHBondContact OD1-O 2.96Å; N443-K447 VanDerWaalsContact OD1-O 3.12Å; N443-F449 HydrophobicContact CB-CE1 4.12Å
444L73.1Confident84.6Confident119 Ų11931 Ų3162%0.62316%0.164SC*.SBendtrans-80.3-26.4-178.9-60.5176.9000113.2L364L364-L444 HydrophobicContact CD1-CD2 4.39Å
445N72.9Confident84.7Confident104 Ų10430.4 Ų30.456%0.55616%0.161SC*.SBendtrans-108.216.1-170.5-68.2-13.5000113.7E389 K447E389-N445 PolarHBondContact OE2-ND2 2.94Å; N445-K447 PolarHBondContact O-N 3.47Å
446S71.5Confident84.6Confident77 Ų7728.6 Ų28.654%0.53815%0.149SC..SBendtrans54.121.8-177.8-52.80000114.6N443N443-S446 WeakPolarHBondContact OD1-CA 3.46Å; N443-S446 PolarHBondContact OD1-N 3.17Å; N443-S446 VanDerWaalsContact OD1-N 3.13Å
447K77.7Confident84.5Confident112 Ų11233.6 Ų33.649%0.48717%0.167SC..  trans-95.4128.3176.9-73-176-174.9172.70109.7E389 N443 N445 F449E389-K447 WeakPolarHBondContact OE1-CD 3.33Å; E389-K447 IonicContact OE1-NZ 3.3Å; E389-K447 PolarHBondContact OE1-NZ 3.44Å; N443-K447 PolarHBondContact OD1-N 3.21Å; N443-K447 VanDerWaalsContact OD1-N 3.09Å; N443-K447 PolarHBondContact OD1-O 2.96Å; N443-K447 VanDerWaalsContact OD1-O 3.12Å; N445-K447 PolarHBondContact O-N 3.47Å; K447-F449 WeakPolarHBondContact O-CD1 3.47Å; K447-F449 PolarHBondContact O-N 3.49Å
448Q83.3Confident83.8Confident68 Ų6839.3 Ų39.332%0.31819%0.194SC..  trans-70129.1175.9-68-169.3-16.400111.1T358 K360T358-Q448 WeakPolarHBondContact OG1-CA 3.38Å; K360-Q448 HydrophobicContact CG-CG 4.42Å
449F84.8Confident82.8Confident6 Ų647.2 Ų47.23%0.02623%0.231CC..  trans-137.4167.3170.563-96000110.1R357 T358 N386 N387 L388 A441 N443 K447 V451R357-F449 WeakPolarHBondContact CA-O 3.25Å; T358-F449 HydrophobicContact CG2-CD1 3.98Å; T358-F449 HydrophobicContact CG2-CD2 4.03Å; T358-F449 HydrophobicContact CG2-CE1 3.53Å; T358-F449 HydrophobicContact CG2-CE2 3.55Å; T358-F449 HydrophobicContact CG2-CG 4.22Å; T358-F449 HydrophobicContact CG2-CZ 3.29Å; T358-F449 PolarHBondContact N-O 2.87Å; T358-F449 PolarHBondContact OG1-N 3.43Å; T358-F449 PolarHBondContact OG1-O 3.27Å; N386-F449 WeakPolarHBondContact OD1-CA 3.39Å; N387-F449 HydrophobicContact CB-CB 3.97Å; L388-F449 HydrophobicContact CB-CD2 4.15Å; L388-F449 HydrophobicContact CB-CE2 4.4Å; L388-F449 HydrophobicContact CB-CG 4.37Å; L388-F449 HydrophobicContact CD1-CD1 4.41Å; L388-F449 HydrophobicContact CD1-CD2 4.25Å; L388-F449 HydrophobicContact CD1-CE1 3.86Å; L388-F449 HydrophobicContact CD1-CE2 3.7Å; L388-F449 HydrophobicContact CD1-CZ 3.47Å; L388-F449 VanDerWaalsContact CD1-CZ 3.47Å; L388-F449 HydrophobicContact CG-CE2 4.47Å; A441-F449 HydrophobicContact CB-CE2 4.17Å; A441-F449 WeakPolarHBondContact O-CZ 3.43Å; N443-F449 HydrophobicContact CB-CE1 4.12Å; K447-F449 WeakPolarHBondContact O-CD1 3.47Å; K447-F449 PolarHBondContact O-N 3.49Å; F449-V451 HydrophobicContact CD2-CG2 3.79Å; F449-V451 HydrophobicContact CE2-CG2 3.66Å
450T87.5Confident81.6Confident26 Ų2649.6 Ų49.616%0.1625%0.247CC..EExtended strand (participates in β ladder)trans-128130.6-179.8-52.10000109.4Y356 S385 N386 E452Y356-T450 CarbonylContact O-C 3.53Å; Y356-T450 VanDerWaalsContact O-CA 3.28Å; Y356-T450 WeakPolarHBondContact O-CA 3.45Å; Y356-T450 WeakPolarHBondContact O-CG2 3.3Å; S385-T450 WeakPolarHBondContact CA-O 3.47Å; S385-T450 PolarHBondContact OG-O 3.15Å; N386-T450 PolarHBondContact OD1-N 3.44Å; T450-E452 HydrophobicContact CG2-CG 4.23Å
451V89.4Confident80.9Confident0 Ų050.3 Ų50.30%025%0.251CS..EExtended strand (participates in β ladder)trans-112.6125175.1-177.30000108.2Y356 W393 V439 A441 F449Y356-V451 PolarHBondContact N-O 3.48Å; Y356-V451 PolarHBondContact O-N 3.34Å; W393-V451 HydrophobicContact CZ3-CG1 4.42Å; V439-V451 HydrophobicContact CG1-CG1 3.9Å; A441-V451 HydrophobicContact CB-CG2 4.05Å; F449-V451 HydrophobicContact CD2-CG2 3.79Å; F449-V451 HydrophobicContact CE2-CG2 3.66Å
452E89.9Confident80.8Confident11 Ų1153.1 Ų53.15%0.05127%0.268CS..EExtended strand (participates in β ladder)trans-124.5127.7174.2-60.9-168.5118.600110.1R353 L354 C383 R384 T450 L487R353-E452 IonicContact NH2-OE1 3.94Å; R353-E452 PolarHBondContact NH2-OE1 2.92Å; R353-E452 IonicContact NH2-OE2 2.68Å; L354-E452 CarbonylContact O-C 3.59Å; L354-E452 VanDerWaalsContact O-CA 3.27Å; L354-E452 WeakPolarHBondContact O-CA 3.43Å; C383-E452 CarbonylContact C-O 3.55Å; C383-E452 VanDerWaalsContact CA-O 3.29Å; C383-E452 WeakPolarHBondContact CA-O 3.34Å; R384-E452 HydrophobicContact CG-CB 4.11Å; R384-E452 IonicContact CZ-OE2 3.91Å; R384-E452 PolarHBondContact N-O 3.24Å; R384-E452 IonicContact NE-OE2 3.16Å; R384-E452 PolarHBondContact NE-OE2 2.78Å; R384-E452 IonicContact NH2-OE2 3.39Å; R384-E452 PolarHBondContact NH2-OE2 2.85Å; R384-E452 PolarHBondContact O-N 3.24Å; T450-E452 HydrophobicContact CG2-CG 4.23Å; E452-L487 HydrophobicContact CB-CD1 3.97Å
453C91.3Very high81Confident1 Ų159.7 Ų59.71%0.00729%0.292CS..EExtended strand (participates in β ladder)trans-130.7147.8177.4-63.80000111R353 L354 F369 F381 Y382 C383R353-C453 CarbonylContact C-O 3.57Å; R353-C453 VanDerWaalsContact CA-O 3.28Å; R353-C453 WeakPolarHBondContact CA-O 3.32Å; R353-C453 WeakPolarHBondContact CG-O 3.31Å; L354-C453 HydrophobicContact CB-CB 4.15Å; L354-C453 PolarHBondContact N-O 3.42Å; L354-C453 PolarHBondContact O-N 3.38Å; F369-C453 HydrophobicContact CZ-CB 4.08Å; F381-C453 HydrophobicContact CE2-CB 4.09Å; F381-C453 HydrophobicContact CZ-CB 3.88Å; Y382-C453 CarbonylContact O-C 3.58Å; Y382-C453 VanDerWaalsContact O-CA 3.23Å; Y382-C453 WeakPolarHBondContact O-CA 3.47Å; C383-C453 HydrophobicContact CB-CB 4.15Å; C383-C453 WeakPolarHBondContact CB-SG 3.5Å; C383-C453 WeakPolarHBondContact SG-CB 3.24Å; C383-C453 CovalentContact SG-SG 2.04Å; C383-C453 PolarHBondContact SG-SG 2.98Å
454E90.6Very high81.6Confident24 Ų2463.3 Ų63.311%0.11232%0.316CS..EExtended strand (participates in β ladder)trans-149.1142.2-178.3-178.3179.6-139.200111.3Y382 Q456 G486 L487Y382-E454 PolarHBondContact N-O 3.45Å; Y382-E454 PolarHBondContact O-N 2.9Å; E454-Q456 HydrophobicContact CG-CG 4.08Å; E454-Q456 PolarHBondContact OE2-NE2 3.3Å; E454-G486 WeakPolarHBondContact OE1-CA 3.44Å; E454-G486 WeakPolarHBondContact OE2-CA 3.32Å; E454-L487 HydrophobicContact CB-CD1 3.86Å; E454-L487 HydrophobicContact CB-CG 4.3Å; E454-L487 WeakPolarHBondContact OE2-CB 3.49Å; E454-L487 PolarHBondContact OE2-N 3.35Å
455W88.4Confident82.5Confident10 Ų1058.3 Ų58.34%0.03829%0.29CS..EExtended strand (participates in β ladder)trans-84.2128167.3-59.596.9000110.8L352 F369 L371 R374 Y378 F381 L428L352-W455 VanDerWaalsContact O-CD1 3.31Å; L352-W455 PolarHBondContact O-N 2.81Å; F369-W455 HydrophobicContact CB-CH2 4.37Å; F369-W455 HydrophobicContact CB-CZ2 3.83Å; F369-W455 AromaticContact CD1-CZ2 3.89Å; F369-W455 HydrophobicContact CD1-CZ2 3.89Å; F369-W455 AromaticContact CD1-NE1 3.84Å; F369-W455 HydrophobicContact CG-CZ2 4.26Å; L371-W455 HydrophobicContact CD2-CH2 3.82Å; L371-W455 HydrophobicContact CD2-CZ3 4.08Å; R374-W455 HydrophobicContact CB-CD2 4.44Å; R374-W455 HydrophobicContact CB-CE3 4.28Å; R374-W455 HydrophobicContact CB-CH2 4.15Å; R374-W455 HydrophobicContact CB-CZ2 4.29Å; R374-W455 HydrophobicContact CB-CZ3 4.14Å; R374-W455 HydrophobicContact CG-CH2 4.36Å; R374-W455 HydrophobicContact CG-CZ2 4.03Å; Y378-W455 HydrophobicContact CD1-CB 3.66Å; Y378-W455 HydrophobicContact CD2-CB 3.98Å; Y378-W455 HydrophobicContact CD2-CG 4.48Å; Y378-W455 HydrophobicContact CE1-CB 3.97Å; Y378-W455 HydrophobicContact CE2-CB 4.29Å; Y378-W455 HydrophobicContact CG-CB 3.68Å; F381-W455 HydrophobicContact CB-CE3 4.27Å; F381-W455 HydrophobicContact CB-CZ3 4.25Å; F381-W455 AromaticContact CD2-CD2 3.9Å; F381-W455 HydrophobicContact CD2-CD2 3.9Å; F381-W455 AromaticContact CD2-CE3 3.83Å; F381-W455 HydrophobicContact CD2-CE3 3.83Å; F381-W455 HydrophobicContact CD2-CH2 4.19Å; F381-W455 HydrophobicContact CD2-CZ2 4.28Å; F381-W455 AromaticContact CD2-CZ3 3.98Å; F381-W455 HydrophobicContact CD2-CZ3 3.98Å; F381-W455 HydrophobicContact CE2-CD2 4.46Å; F381-W455 HydrophobicContact CE2-CZ2 4.34Å; F381-W455 HydrophobicContact CG-CZ3 4.44Å; L428-W455 HydrophobicContact CD1-CE3 3.87Å; L428-W455 HydrophobicContact CD1-CZ3 3.73Å; L428-W455 HydrophobicContact CD2-CE3 4.4Å; L428-W455 HydrophobicContact CD2-CZ3 3.72Å; L428-W455 HydrophobicContact CG-CZ3 4.38Å
456Q85.5Confident83.3Confident8 Ų856 Ų564%0.03728%0.283CS..EExtended strand (participates in β ladder)trans-123.7146.6-172.5-66.3-177.3-15.800112.4S379 H380 E454S379-Q456 PolarHBondContact N-O 3.02Å; H380-Q456 HydrophobicContact CB-CB 4.46Å; H380-Q456 PolarHBondContact N-O 3.13Å; H380-Q456 VanDerWaalsContact N-O 3.07Å; H380-Q456 PolarHBondContact O-N 2.94Å; E454-Q456 HydrophobicContact CG-CG 4.08Å; E454-Q456 PolarHBondContact OE2-NE2 3.3Å
457R83.9Confident84.2Confident129 Ų12953.1 Ų53.149%0.48726%0.261SS..  trans-102.5144.4172.7-64.9-176.7-179.4171.84.3110A377 Y378 E459 S460 L461A377-R457 WeakPolarHBondContact O-CG 3.44Å; A377-R457 PolarHBondContact O-NE 2.95Å; Y378-R457 HydrophobicContact CD1-CG 3.83Å; Y378-R457 HydrophobicContact CE1-CG 4.22Å; R457-E459 PolarHBondContact O-N 3.36Å; R457-S460 PolarHBondContact N-OG 2.97Å; R457-S460 PolarHBondContact O-N 2.87Å; R457-S460 VanDerWaalsContact O-N 3.16Å; R457-S460 PolarHBondContact O-OG 2.87Å; R457-L461 PolarHBondContact O-N 3.16Å; R457-L461 VanDerWaalsContact O-N 3.12Å
458E76.3Confident84.8Confident119 Ų11948.1 Ų48.156%0.55624%0.24SC*.Hα-helixtrans-62.7-41.7-179-170.2166.5-171.300112.5S379 S460 L461 T462S379-E458 WeakPolarHBondContact OG-CB 3.43Å; S379-E458 PolarHBondContact OG-N 3.35Å; E458-S460 PolarHBondContact O-N 3.11Å; E458-L461 WeakPolarHBondContact O-CA 3.44Å; E458-L461 WeakPolarHBondContact O-CB 3.43Å; E458-L461 PolarHBondContact O-N 3.3Å; E458-T462 PolarHBondContact O-N 3.13Å; E458-T462 PolarHBondContact O-OG1 3.31Å
459E67.1Low85Confident167 Ų16750.2 Ų50.278%0.7825%0.25SS*.Hα-helixtrans-63.8-26.1176.6-63.3177.2177.900113.8R457R457-E459 PolarHBondContact O-N 3.36Å
460S65.8Low84.9Confident50 Ų5050.2 Ų50.235%0.3525%0.25SS..Hα-helixtrans-85.2-14.7172.764.20000113R457 E458R457-S460 PolarHBondContact N-OG 2.97Å; R457-S460 PolarHBondContact O-N 2.87Å; R457-S460 VanDerWaalsContact O-N 3.16Å; R457-S460 PolarHBondContact O-OG 2.87Å; E458-S460 PolarHBondContact O-N 3.11Å
461L73.9Confident84.7Confident17 Ų1752.6 Ų52.69%0.08926%0.262CS..Hα-helixtrans-80.7-48.8-176.8-161.789.6000109.9R457 E458 L488 N490R457-L461 PolarHBondContact O-N 3.16Å; R457-L461 VanDerWaalsContact O-N 3.12Å; E458-L461 WeakPolarHBondContact O-CA 3.44Å; E458-L461 WeakPolarHBondContact O-CB 3.43Å; E458-L461 PolarHBondContact O-N 3.3Å; L461-L488 HydrophobicContact CD1-CD2 4.02Å; L461-L488 HydrophobicContact CD1-CG 4.17Å; L461-N490 WeakPolarHBondContact CD2-ND2 3.39Å; L461-N490 WeakPolarHBondContact CG-ND2 3.37Å; L461-N490 WeakPolarHBondContact O-CA 3.48Å; L461-N490 VanDerWaalsContact O-CB 3.32Å; L461-N490 WeakPolarHBondContact O-CB 3.46Å; L461-N490 PolarHBondContact O-N 3.26Å
462T82.6Confident84.3Confident58 Ų5853.2 Ų53.236%0.35627%0.266SS..EExtended strand (participates in β ladder)trans-109.7128.3-169.847.40000113.2E458 N490E458-T462 PolarHBondContact O-N 3.13Å; E458-T462 PolarHBondContact O-OG1 3.31Å; T462-N490 CarbonylContact C-O 3.46Å; T462-N490 VanDerWaalsContact CA-O 3.28Å; T462-N490 WeakPolarHBondContact CA-O 3.1Å; T462-N490 HydrophobicContact CG2-CB 3.82Å
463R88.1Confident83.9Confident144 Ų14457.7 Ų57.754%0.54329%0.285SS..EExtended strand (participates in β ladder)trans-128.6120.6173.7-69.2-67.6-178.4169.3-3.8110.8V480 N490 I491 Q492R463-V480 HydrophobicContact CB-CG2 4.48Å; R463-N490 PolarHBondContact N-O 2.85Å; R463-I491 CarbonylContact O-C 3.56Å; R463-I491 WeakPolarHBondContact O-CA 3.06Å; R463-Q492 PolarHBondContact O-N 3.05Å
464P90.6Very high83.5Confident80 Ų8058.9 Ų58.952%0.51930%0.298SS..EExtended strand (participates in β ladder)trans-77.6142.4175.730.2-32.6000111.8Q492 L494P464-Q492 CarbonylContact C-O 3.58Å; P464-Q492 WeakPolarHBondContact CA-O 3.27Å; P464-L494 HydrophobicContact CB-CD1 3.82Å; P464-L494 HydrophobicContact CB-CG 4.12Å
465V91.6Very high83.3Confident13 Ų1366.6 Ų66.68%0.07933%0.331CS..EExtended strand (participates in β ladder)trans-139.4121.2174.9179.20000109V480 I491 Q492 L493 L494V465-V480 HydrophobicContact CG2-CB 3.54Å; V465-V480 HydrophobicContact CG2-CG1 3.54Å; V465-V480 HydrophobicContact CG2-CG2 4.03Å; V465-I491 HydrophobicContact CB-CG2 4.13Å; V465-I491 HydrophobicContact CG2-CG2 3.66Å; V465-Q492 PolarHBondContact N-O 3.01Å; V465-L493 CarbonylContact O-C 3.58Å; V465-L493 WeakPolarHBondContact O-CA 3.28Å; V465-L494 PolarHBondContact O-N 2.93Å
466S90.4Very high83.3Confident57 Ų5772.1 Ų72.140%0.39936%0.357SS..EExtended strand (participates in β ladder)trans-76126.3174.1-58.30000110.8S478S466-S478 WeakPolarHBondContact O-CB 3.49Å; S466-S478 PolarHBondContact O-OG 3.41Å
467V90.6Very high83.5Confident15 Ų1573.9 Ų73.99%0.09137%0.373CS..PPolyproline II helixtrans-71.1145175.5-57.80000110.7L493 L494 H495 F496 F503 V587V467-L493 HydrophobicContact CG1-CB 4.06Å; V467-L493 HydrophobicContact CG1-CD2 4.27Å; V467-L494 WeakPolarHBondContact CG2-O 3.4Å; V467-L494 PolarHBondContact N-O 3.12Å; V467-L494 VanDerWaalsContact N-O 3.08Å; V467-H495 HydrophobicContact CG2-CB 4.25Å; V467-F496 HydrophobicContact CG1-CB 3.97Å; V467-F496 HydrophobicContact CG2-CB 4.26Å; V467-F503 HydrophobicContact CB-CE1 4.06Å; V467-F503 HydrophobicContact CB-CE2 4.06Å; V467-F503 HydrophobicContact CB-CZ 3.74Å; V467-F503 HydrophobicContact CG1-CE2 4.28Å; V467-F503 HydrophobicContact CG1-CZ 4.45Å; V467-F503 HydrophobicContact CG2-CE1 4.27Å; V467-F503 HydrophobicContact CG2-CE2 3.95Å; V467-F503 HydrophobicContact CG2-CZ 3.55Å; V467-V587 HydrophobicContact CG1-CG1 4.26Å
468P90.2Very high83.9Confident8 Ų869.1 Ų69.15%0.05236%0.36CS..PPolyproline II helixtrans-65.3153.5177.127.1-33.9000111F503P468-F503 HydrophobicContact CG-CD1 4.31Å; P468-F503 HydrophobicContact CG-CE1 4.18Å; P468-F503 WeakPolarHBondContact O-CE1 3.31Å
469H86.7Confident84.7Confident112 Ų11267.2 Ų67.252%0.51935%0.354SS..PPolyproline II helixtrans-63.9149.6176.8-167.2-104000111.5L471 S472 T589H469-L471 VanDerWaalsContact C-N 3.25Å; H469-L471 WeakPolarHBondContact ND1-CB 3.35Å; H469-L471 PolarHBondContact ND1-N 3.06Å; H469-L471 VanDerWaalsContact ND1-N 3.2Å; H469-L471 PolarHBondContact O-N 3.06Å; H469-S472 VanDerWaalsContact O-CB 3.29Å; H469-S472 WeakPolarHBondContact O-CB 3.33Å; H469-S472 PolarHBondContact O-N 3.41Å; H469-S472 PolarHBondContact O-OG 3.1Å; H469-T589 PolarHBondContact O-OG1 3.02Å
470V83Confident85.8Confident5 Ų560.4 Ų60.43%0.0332%0.323CS..G310 helixtrans-62.8-33.9-178.6-178.90000111.8S472 Y500 Q501 V594 W696V470-S472 PolarHBondContact O-N 3.16Å; V470-Y500 HydrophobicContact CG2-CD2 4.44Å; V470-Y500 HydrophobicContact CG2-CE2 4.18Å; V470-Q501 HydrophobicContact CG2-CB 4.4Å; V470-Q501 HydrophobicContact CG2-CG 3.71Å; V470-V594 HydrophobicContact CG1-CB 4.39Å; V470-V594 HydrophobicContact CG1-CG1 3.59Å; V470-V594 HydrophobicContact CG1-CG2 3.92Å; V470-W696 HydrophobicContact CB-CZ3 4.49Å; V470-W696 HydrophobicContact CG1-CH2 3.89Å; V470-W696 HydrophobicContact CG1-CZ2 4.5Å; V470-W696 HydrophobicContact CG1-CZ3 4.32Å
471L82.2Confident86.9Confident77 Ų7761.5 Ų61.540%0.40333%0.328SS..G310 helixtrans-78.54.1177.1-58176000114.1H469 F473 W696 L699H469-L471 VanDerWaalsContact C-N 3.25Å; H469-L471 WeakPolarHBondContact ND1-CB 3.35Å; H469-L471 PolarHBondContact ND1-N 3.06Å; H469-L471 VanDerWaalsContact ND1-N 3.2Å; H469-L471 PolarHBondContact O-N 3.06Å; L471-F473 HydrophobicContact CB-CE2 4.48Å; L471-F473 HydrophobicContact CD2-CZ 4.25Å; L471-F473 WeakPolarHBondContact O-CD2 3.35Å; L471-F473 WeakPolarHBondContact O-CE2 3.38Å; L471-F473 PolarHBondContact O-N 3.37Å; L471-W696 HydrophobicContact CD2-CH2 4.39Å; L471-W696 HydrophobicContact CD2-CZ3 3.87Å; L471-W696 HydrophobicContact CG-CZ3 4.23Å; L471-L699 HydrophobicContact CD1-CD1 4Å
472S81.8Confident87.4Confident12 Ų1261.1 Ų61.18%0.08433%0.327CS..G310 helixtrans-71.7-10.1171.364.30000112.8H469 V470 G474 F475 T589H469-S472 VanDerWaalsContact O-CB 3.29Å; H469-S472 WeakPolarHBondContact O-CB 3.33Å; H469-S472 PolarHBondContact O-N 3.41Å; H469-S472 PolarHBondContact O-OG 3.1Å; V470-S472 PolarHBondContact O-N 3.16Å; S472-G474 PolarHBondContact O-N 3.24Å; S472-F475 WeakPolarHBondContact O-CB 3.42Å; S472-F475 VanDerWaalsContact O-CD2 3.28Å; S472-F475 WeakPolarHBondContact O-CD2 3.48Å; S472-F475 PolarHBondContact O-N 2.82Å; S472-T589 PolarHBondContact OG-OG1 3.42Å
473F82Confident86.8Confident105 Ų10564 Ų6446%0.46134%0.34SS..THydrogen-bonded Turntrans49.523.8-178.7-58.3-77000114.7L471 F475 F591L471-F473 HydrophobicContact CB-CE2 4.48Å; L471-F473 HydrophobicContact CD2-CZ 4.25Å; L471-F473 WeakPolarHBondContact O-CD2 3.35Å; L471-F473 WeakPolarHBondContact O-CE2 3.38Å; L471-F473 PolarHBondContact O-N 3.37Å; F473-F475 VanDerWaalsContact C-N 3.32Å; F473-F475 HydrophobicContact CB-CD2 3.92Å; F473-F475 HydrophobicContact CB-CE2 3.87Å; F473-F591 HydrophobicContact CD1-CB 4.38Å; F473-F591 AromaticContact CD1-CD2 3.54Å; F473-F591 HydrophobicContact CD1-CD2 3.54Å; F473-F591 AromaticContact CD1-CE2 3.91Å; F473-F591 HydrophobicContact CD1-CE2 3.91Å; F473-F591 AromaticContact CD1-CG 3.93Å; F473-F591 HydrophobicContact CD1-CG 3.93Å; F473-F591 AromaticContact CE1-CD2 3.67Å; F473-F591 HydrophobicContact CE1-CD2 3.67Å; F473-F591 AromaticContact CE1-CE2 3.55Å; F473-F591 HydrophobicContact CE1-CE2 3.55Å; F473-F591 HydrophobicContact CE1-CG 4.42Å; F473-F591 HydrophobicContact CE1-CZ 4.22Å
474G83.2Confident85.7Confident26 Ų2659.3 Ų59.327%0.26833%0.329SS..THydrogen-bonded Turntrans80.94.9-177.900000115.1S472 Q476 T589S472-G474 PolarHBondContact O-N 3.24Å; G474-Q476 VanDerWaalsContact C-N 3.34Å; G474-T589 VanDerWaalsContact CA-O 3.31Å; G474-T589 WeakPolarHBondContact CA-O 3.47Å
475F85.7Confident84.5Confident187 Ų18758.5 Ų58.582%0.8233%0.325SS*.SBendtrans-73.8-25.6174.3-64.9-65.6000113S472 F473S472-F475 WeakPolarHBondContact O-CB 3.42Å; S472-F475 VanDerWaalsContact O-CD2 3.28Å; S472-F475 WeakPolarHBondContact O-CD2 3.48Å; S472-F475 PolarHBondContact O-N 2.82Å; F473-F475 VanDerWaalsContact C-N 3.32Å; F473-F475 HydrophobicContact CB-CD2 3.92Å; F473-F475 HydrophobicContact CB-CE2 3.87Å
476Q88.5Confident83.9Confident125 Ų12558.2 Ų58.258%0.58433%0.325SS*.  trans-103.5143.7174.2-66.8-179.5-800110.8G474G474-Q476 VanDerWaalsContact C-N 3.34Å
477A89.6Confident83.7Confident45 Ų4555.5 Ų55.537%0.37231%0.306SS..EExtended strand (participates in β ladder)trans-129.7136.5175.900000109.8V587 R588A477-V587 WeakPolarHBondContact CA-O 3.44Å; A477-R588 HydrophobicContact CB-CG 3.66Å
478S91.9Very high83.6Confident30 Ų3055.3 Ų55.321%0.2131%0.305CS..EExtended strand (participates in β ladder)trans-98.7117.8170.3-60.70000108.9S466 S586 V587S466-S478 WeakPolarHBondContact O-CB 3.49Å; S466-S478 PolarHBondContact O-OG 3.41Å; S478-S586 WeakPolarHBondContact O-CA 3.4Å; S478-V587 PolarHBondContact N-O 3.35Å; S478-V587 PolarHBondContact O-N 3.01Å
479D92.4Very high83.6Confident79 Ų7955.3 Ų55.342%0.42230%0.304SS..EExtended strand (participates in β ladder)trans-111.5136.2-175.4-71.6-3.2000110.8K584 V585 S586D479-K584 WeakPolarHBondContact OD2-CE 3.29Å; D479-K584 IonicContact OD2-NZ 3.62Å; D479-K584 PolarHBondContact OD2-NZ 3.34Å; D479-V585 CarbonylContact C-O 3.49Å; D479-V585 WeakPolarHBondContact CA-O 3.46Å; D479-S586 WeakPolarHBondContact OD1-CA 3.37Å; D479-S586 WeakPolarHBondContact OD1-CB 3.5Å; D479-S586 PolarHBondContact OD1-OG 3.08Å
480V91.4Very high83.8Confident23 Ų2350.5 Ų50.514%0.13928%0.282CS..EExtended strand (participates in β ladder)trans-128.1135.4167.265.30000109.8R463 V465 I491 V585R463-V480 HydrophobicContact CB-CG2 4.48Å; V465-V480 HydrophobicContact CG2-CB 3.54Å; V465-V480 HydrophobicContact CG2-CG1 3.54Å; V465-V480 HydrophobicContact CG2-CG2 4.03Å; V480-I491 HydrophobicContact CG1-CD1 3.83Å; V480-I491 HydrophobicContact CG1-CG1 4.43Å; V480-I491 HydrophobicContact CG1-CG2 4.41Å; V480-V585 HydrophobicContact CG1-CB 3.76Å; V480-V585 HydrophobicContact CG1-CG2 4.5Å; V480-V585 PolarHBondContact N-O 2.98Å; V480-V585 PolarHBondContact O-N 3.16Å
481T88.4Confident84.3Confident74 Ų7450.3 Ų50.345%0.45428%0.281SS..EExtended strand (participates in β ladder)trans-109124.4174.452.50000109.3K584T481-K584 HydrophobicContact CG2-CB 4.24Å; T481-K584 HydrophobicContact CG2-CD 4.37Å; T481-K584 HydrophobicContact CG2-CG 3.99Å
482V84.9Confident84.8Confident9 Ų949.7 Ų49.76%0.05528%0.276CS..EExtended strand (participates in β ladder)trans-98.3100.9174.7-176.40000106.8S484 H489 Y583V482-S484 WeakPolarHBondContact CG1-OG 3.49Å; V482-H489 HydrophobicContact CG1-CB 4.27Å; V482-Y583 PolarHBondContact N-O 3Å; V482-Y583 PolarHBondContact O-N 3.32Å
483N69.5Low85.2Confident117 Ų11749.2 Ų49.263%0.62627%0.273SS*.  trans-86.5-6.2-175.4-67.9-12.8000113.3Q582N483-Q582 PolarHBondContact OD1-NE2 2.85Å
484S65.2Low85.6Confident47 Ų4746.9 Ų46.933%0.32926%0.264SS..SBendtrans-85.1139.6-177.648.70000112.3V482 G486 H489V482-S484 WeakPolarHBondContact CG1-OG 3.49Å; S484-G486 PolarHBondContact O-N 3.29Å; S484-H489 PolarHBondContact OG-CE1 3.31Å
485S66.5Low85.8Confident62 Ų6251.7 Ų51.743%0.43428%0.28SS..  trans-72.520.6173.457.90000114.5R353R353-S485 PolarHBondContact NH1-O 2.65Å
486G78.6Confident86Confident8 Ų843 Ų438%0.08224%0.241CC..  trans-69.2158.8-173.600000112.5E454 S484 H489 T577E454-G486 WeakPolarHBondContact OE1-CA 3.44Å; E454-G486 WeakPolarHBondContact OE2-CA 3.32Å; S484-G486 PolarHBondContact O-N 3.29Å; G486-H489 WeakPolarHBondContact CA-NE2 2.99Å; G486-H489 PolarHBondContact O-NE2 3.15Å; G486-T577 PolarHBondContact O-OG1 3.05Å
487L85.2Confident85.8Confident0 Ų038.9 Ų38.90%022%0.222CC..SBendtrans-88-21.9177.1-70.2-178.3000113.7Y382 E452 E454 H576 T577Y382-L487 HydrophobicContact CD1-CB 3.66Å; Y382-L487 HydrophobicContact CD1-CD1 3.96Å; Y382-L487 HydrophobicContact CD1-CG 4.48Å; Y382-L487 HydrophobicContact CE1-CB 3.64Å; Y382-L487 HydrophobicContact CE1-CD1 4.13Å; E452-L487 HydrophobicContact CB-CD1 3.97Å; E454-L487 HydrophobicContact CB-CD1 3.86Å; E454-L487 HydrophobicContact CB-CG 4.3Å; E454-L487 WeakPolarHBondContact OE2-CB 3.49Å; E454-L487 PolarHBondContact OE2-N 3.35Å; L487-H576 CarbonylContact O-C 3.49Å; L487-H576 WeakPolarHBondContact O-CA 3.09Å; L487-T577 PolarHBondContact O-N 2.65Å; L487-T577 PolarHBondContact O-OG1 2.96Å
488L89.2Confident85.6Confident10 Ų1037.9 Ų37.95%0.05221%0.21CC..EExtended strand (participates in β ladder)trans-138.3128.7-179.7176.563.2000110Y382 V425 L461 Q574 L575Y382-L488 HydrophobicContact CD2-CB 3.91Å; Y382-L488 HydrophobicContact CD2-CD2 3.75Å; Y382-L488 HydrophobicContact CD2-CG 4.43Å; Y382-L488 HydrophobicContact CE2-CB 3.97Å; Y382-L488 HydrophobicContact CE2-CD2 3.98Å; Y382-L488 HydrophobicContact CE2-CG 4.42Å; Y382-L488 HydrophobicContact CG-CB 4.36Å; V425-L488 HydrophobicContact CG2-CD2 4.49Å; L461-L488 HydrophobicContact CD1-CD2 4.02Å; L461-L488 HydrophobicContact CD1-CG 4.17Å; L488-Q574 HydrophobicContact CD1-CB 4.46Å; L488-L575 WeakPolarHBondContact CA-O 3.06Å
489H90.3Very high85.3Confident8 Ų837.1 Ų37.14%0.03720%0.204CC..EExtended strand (participates in β ladder)trans-132.9140.6173-58.9-63.5000110V482 S484 G486 Q574 L575 T577V482-H489 HydrophobicContact CG1-CB 4.27Å; S484-H489 PolarHBondContact OG-CE1 3.31Å; G486-H489 WeakPolarHBondContact CA-NE2 2.99Å; G486-H489 PolarHBondContact O-NE2 3.15Å; H489-Q574 CarbonylContact O-C 3.55Å; H489-Q574 WeakPolarHBondContact O-CA 3.31Å; H489-L575 HydrophobicContact CB-CB 4.37Å; H489-L575 PolarHBondContact N-O 3.41Å; H489-L575 PolarHBondContact O-N 2.88Å; H489-T577 PolarHBondContact CD2-OG1 3.33Å
490N91.2Very high84.9Confident12 Ų1235 Ų356%0.06419%0.19CC..EExtended strand (participates in β ladder)trans-116.5119.5179.1-69.4-26.5000108.6L461 T462 R463 L572 Q574L461-N490 WeakPolarHBondContact CD2-ND2 3.39Å; L461-N490 WeakPolarHBondContact CG-ND2 3.37Å; L461-N490 WeakPolarHBondContact O-CA 3.48Å; L461-N490 VanDerWaalsContact O-CB 3.32Å; L461-N490 WeakPolarHBondContact O-CB 3.46Å; L461-N490 PolarHBondContact O-N 3.26Å; T462-N490 CarbonylContact C-O 3.46Å; T462-N490 VanDerWaalsContact CA-O 3.28Å; T462-N490 WeakPolarHBondContact CA-O 3.1Å; T462-N490 HydrophobicContact CG2-CB 3.82Å; R463-N490 PolarHBondContact N-O 2.85Å; N490-L572 HydrophobicContact CB-CD1 3.87Å; N490-L572 HydrophobicContact CB-CD2 4.3Å; N490-L572 HydrophobicContact CB-CG 4.24Å; N490-Q574 WeakPolarHBondContact OD1-CG 2.98Å; N490-Q574 PolarHBondContact OD1-NE2 3.22Å
491I92.3Very high84.8Confident1 Ų134.6 Ų34.61%0.00519%0.187CC..EExtended strand (participates in β ladder)trans-105.5119174.9-62.7169.7000108.1R463 V465 V480 L493 L573 L575 V585R463-I491 CarbonylContact O-C 3.56Å; R463-I491 WeakPolarHBondContact O-CA 3.06Å; V465-I491 HydrophobicContact CB-CG2 4.13Å; V465-I491 HydrophobicContact CG2-CG2 3.66Å; V480-I491 HydrophobicContact CG1-CD1 3.83Å; V480-I491 HydrophobicContact CG1-CG1 4.43Å; V480-I491 HydrophobicContact CG1-CG2 4.41Å; I491-L493 HydrophobicContact CG2-CD2 4.2Å; I491-L573 HydrophobicContact CB-CB 4.22Å; I491-L573 HydrophobicContact CD1-CD2 4.46Å; I491-L573 PolarHBondContact N-O 3.08Å; I491-L573 PolarHBondContact O-N 3.37Å; I491-L575 HydrophobicContact CD1-CD1 3.6Å; I491-L575 HydrophobicContact CD1-CG 4.37Å; I491-L575 HydrophobicContact CG1-CD1 4.43Å; I491-V585 HydrophobicContact CD1-CB 3.89Å; I491-V585 HydrophobicContact CD1-CG1 4.18Å; I491-V585 HydrophobicContact CD1-CG2 3.45Å; I491-V585 VanDerWaalsContact CD1-CG2 3.45Å
492Q92.5Very high85Confident64 Ų6431 Ų3130%0.29917%0.165SC..EExtended strand (participates in β ladder)trans-90.3114.1178.7-172.2-177.66.300109.2R463 P464 V465 L494 S570 L572R463-Q492 PolarHBondContact O-N 3.05Å; P464-Q492 CarbonylContact C-O 3.58Å; P464-Q492 WeakPolarHBondContact CA-O 3.27Å; V465-Q492 PolarHBondContact N-O 3.01Å; Q492-L494 HydrophobicContact CG-CD2 4.16Å; Q492-L494 PolarHBondContact O-N 2.85Å; Q492-S570 VanDerWaalsContact CG-OG 3.24Å; Q492-S570 WeakPolarHBondContact CG-OG 3.48Å; Q492-S570 PolarHBondContact NE2-OG 3.21Å; Q492-L572 HydrophobicContact CB-CD1 4.4Å
493L91.8Very high85.4Confident2 Ų230.7 Ų30.71%0.0116%0.163CC..EExtended strand (participates in β ladder)trans-85.197.3-179.5-62.3175.5000109.7V465 V467 I491 F496 I505 V571 V587V465-L493 CarbonylContact O-C 3.58Å; V465-L493 WeakPolarHBondContact O-CA 3.28Å; V467-L493 HydrophobicContact CG1-CB 4.06Å; V467-L493 HydrophobicContact CG1-CD2 4.27Å; I491-L493 HydrophobicContact CG2-CD2 4.2Å; L493-F496 HydrophobicContact CB-CB 4.13Å; L493-F496 HydrophobicContact CB-CD1 4.33Å; L493-F496 HydrophobicContact CD1-CD1 3.91Å; L493-F496 HydrophobicContact CD1-CE1 4.44Å; L493-I505 HydrophobicContact CD1-CD1 4.04Å; L493-V571 HydrophobicContact CB-CB 4.38Å; L493-V571 HydrophobicContact CD1-CG1 4.21Å; L493-V571 PolarHBondContact N-O 3Å; L493-V587 HydrophobicContact CD2-CG2 4.1Å
494L90Very high86.5Confident55 Ų5531 Ų3129%0.28816%0.155SC..EExtended strand (participates in β ladder)trans-72.1145178.3-57.1178.4000110.4P464 V465 V467 Q492 F496P464-L494 HydrophobicContact CB-CD1 3.82Å; P464-L494 HydrophobicContact CB-CG 4.12Å; V465-L494 PolarHBondContact O-N 2.93Å; V467-L494 WeakPolarHBondContact CG2-O 3.4Å; V467-L494 PolarHBondContact N-O 3.12Å; V467-L494 VanDerWaalsContact N-O 3.08Å; Q492-L494 HydrophobicContact CG-CD2 4.16Å; Q492-L494 PolarHBondContact O-N 2.85Å; L494-F496 PolarHBondContact O-N 3.38Å
495H87.4Confident87.8Confident128 Ų12828.8 Ų28.859%0.59314%0.14SC*.THydrogen-bonded Turntrans62.811-178.1-47.1-72.6000115.9V467 H497 Q501V467-H495 HydrophobicContact CG2-CB 4.25Å; H495-H497 PolarHBondContact O-N 3.34Å; H495-H497 PolarHBondContact O-ND1 3.47Å; H495-Q501 PolarHBondContact O-NE2 2.97Å; H495-Q501 PolarHBondContact O-OE1 2.8Å
496F88.8Confident89.1Confident3 Ų327.2 Ų27.21%0.01313%0.129CC..  trans-90.294169.2-172.8-159.5000110.5V467 L493 L494 Q501 F503 M535 L560 V571V467-F496 HydrophobicContact CG1-CB 3.97Å; V467-F496 HydrophobicContact CG2-CB 4.26Å; L493-F496 HydrophobicContact CB-CB 4.13Å; L493-F496 HydrophobicContact CB-CD1 4.33Å; L493-F496 HydrophobicContact CD1-CD1 3.91Å; L493-F496 HydrophobicContact CD1-CE1 4.44Å; L494-F496 PolarHBondContact O-N 3.38Å; F496-Q501 HydrophobicContact CD2-CB 4.19Å; F496-Q501 HydrophobicContact CE2-CB 4.09Å; F496-F503 HydrophobicContact CD2-CD2 4.01Å; F496-F503 AromaticContact CD2-CE2 3.54Å; F496-F503 HydrophobicContact CD2-CE2 3.54Å; F496-F503 AromaticContact CE2-CD2 3.9Å; F496-F503 HydrophobicContact CE2-CD2 3.9Å; F496-F503 AromaticContact CE2-CE2 3.8Å; F496-F503 HydrophobicContact CE2-CE2 3.8Å; F496-F503 HydrophobicContact CG-CD2 4.36Å; F496-F503 HydrophobicContact CG-CE2 4.03Å; F496-F503 HydrophobicContact CZ-CD2 4.18Å; F496-F503 HydrophobicContact CZ-CE2 4.5Å; F496-M535 HydrophobicContact CE1-SD 4.37Å; F496-L560 HydrophobicContact CD2-CD1 3.8Å; F496-L560 HydrophobicContact CD2-CG 4.2Å; F496-L560 HydrophobicContact CE1-CD2 4.03Å; F496-L560 HydrophobicContact CE1-CG 4.21Å; F496-L560 HydrophobicContact CE2-CD1 3.61Å; F496-L560 HydrophobicContact CE2-CD2 4.24Å; F496-L560 HydrophobicContact CE2-CG 3.52Å; F496-L560 HydrophobicContact CG-CD1 4.43Å; F496-L560 HydrophobicContact CZ-CD1 4.06Å; F496-L560 HydrophobicContact CZ-CD2 3.81Å; F496-L560 HydrophobicContact CZ-CG 3.52Å; F496-V571 HydrophobicContact CB-CG2 4.41Å; F496-V571 HydrophobicContact CD1-CB 3.83Å; F496-V571 HydrophobicContact CD1-CG1 3.95Å; F496-V571 HydrophobicContact CD1-CG2 3.65Å; F496-V571 HydrophobicContact CE1-CB 4.44Å; F496-V571 HydrophobicContact CE1-CG1 4.12Å; F496-V571 HydrophobicContact CE1-CG2 4.16Å; F496-V571 HydrophobicContact CG-CG2 4.13Å
497H84.8Confident89.8Confident39 Ų3926.9 Ų26.918%0.18113%0.125CC..  trans-142.9-7.6-167.863.8-66.2000114.7H495 S563 R564H495-H497 PolarHBondContact O-N 3.34Å; H495-H497 PolarHBondContact O-ND1 3.47Å; H497-S563 WeakPolarHBondContact O-CA 3.29Å; H497-R564 HydrophobicContact CB-CB 3.84Å; H497-R564 PolarHBondContact O-N 3.21Å
498Q85Confident90.1Very high24 Ų2429 Ų2911%0.11214%0.138CC..  trans-118.9141.5-173.7-66.8157.2-24.900112Y500 Q501Q498-Y500 VanDerWaalsContact C-N 3.29Å; Q498-Y500 HydrophobicContact CB-CD1 3.87Å; Q498-Y500 HydrophobicContact CB-CE1 3.51Å; Q498-Y500 HydrophobicContact CB-CE2 4.41Å; Q498-Y500 HydrophobicContact CB-CG 4.48Å; Q498-Y500 HydrophobicContact CG-CE1 3.81Å; Q498-Y500 PolarHBondContact NE2-OH 3.16Å; Q498-Y500 PolarHBondContact O-N 2.84Å; Q498-Y500 PolarHBondContact OE1-OH 3.45Å; Q498-Q501 HydrophobicContact CB-CG 3.99Å; Q498-Q501 VanDerWaalsContact N-OE1 3.16Å; Q498-Q501 WeakPolarHBondContact O-CB 3.12Å; Q498-Q501 PolarHBondContact O-N 2.89Å; Q498-Q501 VanDerWaalsContact O-N 3.15Å; Q498-Q501 VanDerWaalsContact OE1-NE2 3.16Å
499V85.8Confident90Very high15 Ų1528.8 Ų28.89%0.09114%0.137CC..THydrogen-bonded Turntrans-64.7-23.9-176.7-69.70000115.7Q501 T562 S563 F601V499-Q501 VanDerWaalsContact C-N 3.34Å; V499-T562 VanDerWaalsContact CG1-C 3.47Å; V499-S563 VanDerWaalsContact CG1-N 3.34Å; V499-F601 HydrophobicContact CB-CD1 4.02Å; V499-F601 HydrophobicContact CB-CD2 4.04Å; V499-F601 HydrophobicContact CB-CE1 3.68Å; V499-F601 HydrophobicContact CB-CE2 3.68Å; V499-F601 HydrophobicContact CB-CG 4.22Å; V499-F601 HydrophobicContact CB-CZ 3.5Å; V499-F601 HydrophobicContact CG1-CD1 4.42Å; V499-F601 HydrophobicContact CG1-CE1 3.7Å; V499-F601 HydrophobicContact CG1-CE2 4.32Å; V499-F601 HydrophobicContact CG1-CZ 3.65Å; V499-F601 HydrophobicContact CG2-CD1 3.65Å; V499-F601 HydrophobicContact CG2-CD2 4.12Å; V499-F601 HydrophobicContact CG2-CE1 3.81Å; V499-F601 HydrophobicContact CG2-CE2 4.24Å; V499-F601 HydrophobicContact CG2-CG 3.85Å; V499-F601 HydrophobicContact CG2-CZ 4.11Å
500Y84.1Confident89.8Confident34 Ų3433.7 Ų33.713%0.13316%0.16CC..THydrogen-bonded Turntrans-82-15.6178.160-98.8000112.9V470 Q498 W696V470-Y500 HydrophobicContact CG2-CD2 4.44Å; V470-Y500 HydrophobicContact CG2-CE2 4.18Å; Q498-Y500 VanDerWaalsContact C-N 3.29Å; Q498-Y500 HydrophobicContact CB-CD1 3.87Å; Q498-Y500 HydrophobicContact CB-CE1 3.51Å; Q498-Y500 HydrophobicContact CB-CE2 4.41Å; Q498-Y500 HydrophobicContact CB-CG 4.48Å; Q498-Y500 HydrophobicContact CG-CE1 3.81Å; Q498-Y500 PolarHBondContact NE2-OH 3.16Å; Q498-Y500 PolarHBondContact O-N 2.84Å; Q498-Y500 PolarHBondContact OE1-OH 3.45Å; Y500-W696 AromaticContact CD1-CD1 3.7Å; Y500-W696 AromaticContact CD1-NE1 3.68Å; Y500-W696 HydrophobicContact CD2-CD2 4.2Å; Y500-W696 AromaticContact CD2-CE2 3.61Å; Y500-W696 HydrophobicContact CD2-CG 4.42Å; Y500-W696 AromaticContact CD2-CZ2 3.94Å; Y500-W696 HydrophobicContact CD2-CZ2 3.94Å; Y500-W696 AromaticContact CD2-NE1 3.48Å; Y500-W696 HydrophobicContact CE1-CB 4.37Å; Y500-W696 AromaticContact CE1-CD1 3.28Å; Y500-W696 AromaticContact CE1-CG 3.85Å; Y500-W696 HydrophobicContact CE1-CG 3.85Å; Y500-W696 AromaticContact CE1-NE1 3.71Å; Y500-W696 HydrophobicContact CE2-CB 4.49Å; Y500-W696 AromaticContact CE2-CD1 3.63Å; Y500-W696 AromaticContact CE2-CD2 3.59Å; Y500-W696 HydrophobicContact CE2-CD2 3.59Å; Y500-W696 AromaticContact CE2-CE2 3.5Å; Y500-W696 VanDerWaalsContact CE2-CE2 3.5Å; Y500-W696 HydrophobicContact CE2-CE3 4.26Å; Y500-W696 AromaticContact CE2-CG 3.67Å; Y500-W696 HydrophobicContact CE2-CG 3.67Å; Y500-W696 HydrophobicContact CE2-CZ2 4.11Å; Y500-W696 AromaticContact CE2-NE1 3.5Å; Y500-W696 AromaticContact CG-NE1 3.53Å; Y500-W696 AromaticContact CZ-CD1 3.2Å; Y500-W696 AromaticContact CZ-CD2 3.77Å; Y500-W696 AromaticContact CZ-CE2 3.95Å; Y500-W696 AromaticContact CZ-CG 3.3Å; Y500-W696 AromaticContact CZ-NE1 3.58Å; Y500-W696 WeakPolarHBondContact OH-CB 3.35Å
501Q89.3Confident89.3Confident14 Ų1434.5 Ų34.57%0.06517%0.166CC..  trans-69.9131.6177-64.5174.7-33.400109.3V470 H495 F496 Q498 V499 F503V470-Q501 HydrophobicContact CG2-CB 4.4Å; V470-Q501 HydrophobicContact CG2-CG 3.71Å; H495-Q501 PolarHBondContact O-NE2 2.97Å; H495-Q501 PolarHBondContact O-OE1 2.8Å; F496-Q501 HydrophobicContact CD2-CB 4.19Å; F496-Q501 HydrophobicContact CE2-CB 4.09Å; Q498-Q501 HydrophobicContact CB-CG 3.99Å; Q498-Q501 VanDerWaalsContact N-OE1 3.16Å; Q498-Q501 WeakPolarHBondContact O-CB 3.12Å; Q498-Q501 PolarHBondContact O-N 2.89Å; Q498-Q501 VanDerWaalsContact O-N 3.15Å; Q498-Q501 VanDerWaalsContact OE1-NE2 3.16Å; V499-Q501 VanDerWaalsContact C-N 3.34Å; Q501-F503 HydrophobicContact CB-CE2 3.73Å; Q501-F503 HydrophobicContact CB-CZ 3.98Å; Q501-F503 HydrophobicContact CG-CZ 4.42Å
502A92.1Very high88.2Confident0 Ų045.5 Ų45.50%021%0.208CC..  trans-139125.2176.300000110.7G558 M559 S590 K593 V594 Q597A502-G558 WeakPolarHBondContact CA-O 3.39Å; A502-M559 HydrophobicContact CB-CG 3.97Å; A502-M559 HydrophobicContact CB-SD 4.48Å; A502-S590 PolarHBondContact O-N 3.03Å; A502-K593 HydrophobicContact CB-CB 3.58Å; A502-V594 HydrophobicContact CB-CG2 3.92Å; A502-Q597 HydrophobicContact CB-CG 4.27Å
503F93.3Very high86.6Confident1 Ų145.3 Ų45.30%0.00422%0.223CC..EExtended strand (participates in β ladder)trans-122.2148.3-175.3-55.8-71.3000111.7V467 P468 F496 Q501 I505 G558 V587 R588V467-F503 HydrophobicContact CB-CE1 4.06Å; V467-F503 HydrophobicContact CB-CE2 4.06Å; V467-F503 HydrophobicContact CB-CZ 3.74Å; V467-F503 HydrophobicContact CG1-CE2 4.28Å; V467-F503 HydrophobicContact CG1-CZ 4.45Å; V467-F503 HydrophobicContact CG2-CE1 4.27Å; V467-F503 HydrophobicContact CG2-CE2 3.95Å; V467-F503 HydrophobicContact CG2-CZ 3.55Å; P468-F503 HydrophobicContact CG-CD1 4.31Å; P468-F503 HydrophobicContact CG-CE1 4.18Å; P468-F503 WeakPolarHBondContact O-CE1 3.31Å; F496-F503 HydrophobicContact CD2-CD2 4.01Å; F496-F503 AromaticContact CD2-CE2 3.54Å; F496-F503 HydrophobicContact CD2-CE2 3.54Å; F496-F503 AromaticContact CE2-CD2 3.9Å; F496-F503 HydrophobicContact CE2-CD2 3.9Å; F496-F503 AromaticContact CE2-CE2 3.8Å; F496-F503 HydrophobicContact CE2-CE2 3.8Å; F496-F503 HydrophobicContact CG-CD2 4.36Å; F496-F503 HydrophobicContact CG-CE2 4.03Å; F496-F503 HydrophobicContact CZ-CD2 4.18Å; F496-F503 HydrophobicContact CZ-CE2 4.5Å; Q501-F503 HydrophobicContact CB-CE2 3.73Å; Q501-F503 HydrophobicContact CB-CZ 3.98Å; Q501-F503 HydrophobicContact CG-CZ 4.42Å; F503-I505 HydrophobicContact CB-CG1 4.41Å; F503-G558 PolarHBondContact N-O 2.83Å; F503-G558 PolarHBondContact O-N 3.13Å; F503-V587 HydrophobicContact CB-CG1 3.97Å; F503-V587 HydrophobicContact CD1-CG1 4.14Å; F503-V587 HydrophobicContact CG-CG1 4.08Å; F503-R588 CarbonylContact C-O 3.53Å; F503-R588 VanDerWaalsContact CA-O 3.26Å; F503-R588 WeakPolarHBondContact CA-O 3.33Å
504R93.1Very high84.2Confident124 Ų12451 Ų5147%0.46826%0.258SS..EExtended strand (participates in β ladder)trans-100108.8164.6-171179.9-171.1-1800.6106.8E555 R588R504-E555 IonicContact CZ-OE1 3.56Å; R504-E555 IonicContact CZ-OE2 2.87Å; R504-E555 IonicContact NE-OE1 3.85Å; R504-E555 PolarHBondContact NE-OE1 3Å; R504-E555 IonicContact NE-OE2 2.74Å; R504-E555 PolarHBondContact NE-OE2 3.11Å; R504-E555 IonicContact NH2-OE1 3.85Å; R504-E555 PolarHBondContact NH2-OE1 3.48Å; R504-E555 IonicContact NH2-OE2 2.78Å; R504-E555 PolarHBondContact NH2-OE2 3.29Å; R504-R588 PolarHBondContact N-O 3.05Å; R504-R588 PolarHBondContact O-N 2.88Å
505I93.6Very high81.7Confident1 Ų160.7 Ų60.71%0.00529%0.291CS..EExtended strand (participates in β ladder)trans-98.6112.4178.6-57.3171.4000106.8L493 F503 V507 E555 I556 L573 V585 V587L493-I505 HydrophobicContact CD1-CD1 4.04Å; F503-I505 HydrophobicContact CB-CG1 4.41Å; I505-V507 HydrophobicContact CG2-CG2 4.4Å; I505-E555 CarbonylContact O-C 3.57Å; I505-E555 WeakPolarHBondContact O-CA 3.38Å; I505-I556 HydrophobicContact CB-CB 4.26Å; I505-I556 PolarHBondContact N-O 3.06Å; I505-I556 PolarHBondContact O-N 2.97Å; I505-L573 HydrophobicContact CG2-CD2 3.94Å; I505-V585 HydrophobicContact CG2-CG1 3.78Å; I505-V587 HydrophobicContact CG1-CG1 4.33Å; I505-V587 HydrophobicContact CG1-CG2 4.36Å; I505-V587 HydrophobicContact CG2-CG2 4.5Å
506S93.3Very high79.2Confident29 Ų2956.6 Ų56.620%0.20328%0.283CS..EExtended strand (participates in β ladder)trans-100.8126.8176.558.20000109.8T554 V585 S586S506-T554 WeakPolarHBondContact CA-O 3.47Å; S506-V585 CarbonylContact O-C 3.49Å; S506-V585 VanDerWaalsContact O-CA 3.31Å; S506-V585 WeakPolarHBondContact O-CA 3.23Å; S506-S586 PolarHBondContact N-O 3.41Å; S506-S586 PolarHBondContact O-N 3.42Å; S506-S586 WeakPolarHBondContact OG-CB 3.49Å; S506-S586 PolarHBondContact OG-O 3.26Å
507V92.4Very high76.8Confident0 Ų068.3 Ų68.30%033%0.327CS..EExtended strand (participates in β ladder)trans-113.3109.9176.7-176.20000107.4I505 Y533 T554 I556 L575 Y583 V585I505-V507 HydrophobicContact CG2-CG2 4.4Å; V507-Y533 HydrophobicContact CB-CE2 4.27Å; V507-Y533 HydrophobicContact CG1-CE1 4.07Å; V507-Y533 HydrophobicContact CG1-CE2 4.09Å; V507-T554 PolarHBondContact N-O 2.94Å; V507-T554 PolarHBondContact O-N 3.24Å; V507-T554 PolarHBondContact O-OG1 3.34Å; V507-I556 HydrophobicContact CG2-CD1 4.04Å; V507-L575 HydrophobicContact CG1-CD2 4.48Å; V507-L575 HydrophobicContact CG2-CD2 4.35Å; V507-Y583 HydrophobicContact CG1-CD1 4.14Å; V507-V585 HydrophobicContact CG1-CG2 4.28Å; V507-V585 HydrophobicContact CG2-CG1 4.45Å; V507-V585 HydrophobicContact CG2-CG2 4.11Å
508V91.1Very high74.6Confident44 Ų4473.4 Ų73.427%0.26735%0.351SS..EExtended strand (participates in β ladder)trans-110.8123.4-179.9-172.60000109.2H510 S552 A553 Y583 K584V508-H510 WeakPolarHBondContact CG1-CE1 2.97Å; V508-S552 WeakPolarHBondContact CA-O 3.44Å; V508-A553 HydrophobicContact CG1-CB 4.47Å; V508-A553 HydrophobicContact CG2-CB 4.22Å; V508-Y583 WeakPolarHBondContact O-CA 3.46Å; V508-K584 PolarHBondContact N-O 2.86Å; V508-K584 PolarHBondContact O-N 2.81Å
509S88Confident72.5Confident6 Ų679.9 Ų79.94%0.04238%0.379CS..EExtended strand (participates in β ladder)trans-105.3123.8178.157.50000111.7P551 S552 Q582S509-P551 WeakPolarHBondContact O-CB 3.42Å; S509-P551 WeakPolarHBondContact OG-CA 3.36Å; S509-S552 PolarHBondContact N-O 2.98Å; S509-S552 PolarHBondContact OG-N 3.45Å; S509-S552 PolarHBondContact OG-O 2.99Å; S509-S552 PolarHBondContact OG-OG 3.46Å; S509-Q582 WeakPolarHBondContact CA-O 3.4Å
510H86.1Confident70.2Confident112 Ų11285.7 Ų85.752%0.51941%0.409SS..EExtended strand (participates in β ladder)trans-108.9100.9175.8-65.485.7000108.6V508 C581 Q582V508-H510 WeakPolarHBondContact CG1-CE1 2.97Å; H510-C581 WeakPolarHBondContact O-CA 3.34Å; H510-Q582 PolarHBondContact N-O 3.45Å; H510-Q582 PolarHBondContact O-N 2.84Å
511C80.4Confident68Low28 Ų2893.3 Ų93.319%0.18944%0.439CS..EExtended strand (participates in β ladder)trans-94.7131.4178.3-56.80000109.5G513 P551 C581C511-G513 PolarHBondContact O-N 3.37Å; C511-P551 HydrophobicContact CB-CB 4.49Å; C511-C581 HydrophobicContact CB-CB 4.05Å; C511-C581 WeakPolarHBondContact CB-SG 3.4Å; C511-C581 WeakPolarHBondContact SG-CB 3.28Å; C511-C581 CovalentContact SG-SG 2.04Å; C511-C581 PolarHBondContact SG-SG 3.43Å
512R70Confident65.4Low233 Ų23398.6 Ų98.688%0.87946%0.464SS*.  trans-67.5108.8170.3-73.4-175.7179.6-177-0107.9
513G57.4Low62.9Low60 Ų60108.1 Ų108.162%0.61950%0.5SS*.  trans-86.5133.3165.500000109.1C511 R515C511-G513 PolarHBondContact O-N 3.37Å; G513-R515 VanDerWaalsContact C-N 3.32Å; G513-R515 PolarHBondContact O-N 2.86Å
514T41.6Very low60.3Low122 Ų122114 Ų11475%0.74853%0.53SS*.  trans-57.199.6159.927.30000107.3G516T514-G516 PolarHBondContact O-N 2.96Å
515R37.9Very low57.7Low257 Ų257113 Ų11397%0.9753%0.534SS*.  trans-68.581.2163.4-84.9-176.7175.9175.7-1.3107G513G513-R515 VanDerWaalsContact C-N 3.32Å; G513-R515 PolarHBondContact O-N 2.86Å
516G36.2Very low55.5Low43 Ų43120.9 Ų120.944%0.44357%0.568SS.*  trans-145.7127.2178.300000109.4T514 H518T514-G516 PolarHBondContact O-N 2.96Å; G516-H518 PolarHBondContact O-N 3.43Å
517R38.2Very low53.7Low248 Ų248126.6 Ų126.694%0.93660%0.596SS**SBendtrans-61.790.9-178-70.2171174.1168.6-3.4111.3
518H38.1Very low52.7Low146 Ų146130.6 Ų130.668%0.67661%0.611SS**  trans-16056.8160.5-114.1-84.1000110.3G516 L520G516-H518 PolarHBondContact O-N 3.43Å; H518-L520 PolarHBondContact O-N 3.18Å
519F39.6Very low52.1Low160 Ų160129.2 Ų129.270%0.70260%0.602SS**THydrogen-bonded Turntrans-77.4-9.1-157.5-117.9-96.2000117.2
520L38.9Very low51.9Low137 Ų137131 Ų13172%0.71761%0.614SS**THydrogen-bonded Turntrans-104.3-32.6-173.5-123.483.9000115.5H518H518-L520 PolarHBondContact O-N 3.18Å
521Y38.1Very low52Low194 Ų194125.7 Ų125.776%0.76159%0.589SS**THydrogen-bonded Turntrans-92.6-25.8-174.7-80.9-92.4000113.8
522E33.6Very low52.5Low126 Ų126124.4 Ų124.459%0.58958%0.58SS**SBendtrans-83.3-27.6176.1-100.8-178.6151.600113.4I524 N525 F526E522-I524 VanDerWaalsContact C-N 3.27Å; E522-I524 PolarHBondContact O-N 3.47Å; E522-N525 PolarHBondContact O-N 3.23Å; E522-N525 VanDerWaalsContact O-N 3.14Å; E522-F526 PolarHBondContact O-N 2.92Å
523W39.7Very low53.6Low199 Ų199113.3 Ų113.375%0.75454%0.538SS*.THydrogen-bonded Turntrans-67.3-29-177.6-151.572.7000112.6N525W523-N525 VanDerWaalsContact C-N 3.34Å
524I39.6Very low55.3Low124 Ų124111.3 Ų111.364%0.63651%0.512SS*.THydrogen-bonded Turntrans-76.5-21.6177.3-63.9168000111.7E522E522-I524 VanDerWaalsContact C-N 3.27Å; E522-I524 PolarHBondContact O-N 3.47Å
525N38Very low57.7Low104 Ų104105.7 Ų105.756%0.55648%0.477SS*.THydrogen-bonded Turntrans-103.9-12.5-171.9-78.6-29.5000115.7R357 E522 W523R357-N525 PolarHBondContact NH1-O 3.08Å; E522-N525 PolarHBondContact O-N 3.23Å; E522-N525 VanDerWaalsContact O-N 3.14Å; W523-N525 VanDerWaalsContact C-N 3.34Å
526F48.1Very low60.3Low167 Ų16798.6 Ų98.673%0.73245%0.451SS*.  trans-120.752.8179.9-111.3-82.2000113.5E522 R528E522-F526 PolarHBondContact O-N 2.92Å; F526-R528 PolarHBondContact O-N 3.38Å
527L55.2Low62.8Low149 Ų14996.6 Ų96.678%0.7843%0.43SS*.  trans-70.497.3170.3-150.782000109.1
528R71.2Confident65Low84 Ų8487.7 Ų87.732%0.31740%0.404SS..PPolyproline II helixtrans-60.6140176.2-62.9-179.9-172.6-160.42.2109.3F526 P579 C581F526-R528 PolarHBondContact O-N 3.38Å; R528-P579 PolarHBondContact NH1-O 3.21Å; R528-P579 VanDerWaalsContact NH1-O 3.14Å; R528-C581 PolarHBondContact NH1-SG 2.86Å
529L77.6Confident67.1Low14 Ų1483.2 Ų83.27%0.07338%0.381CS..PPolyproline II helixtrans-58.8137.8171-67.8176.9000109.5R384 N386R384-L529 HydrophobicContact CG-CD1 4.37Å; N386-L529 HydrophobicContact CB-CD2 3.74Å
530P84.6Confident69.2Low45 Ų4576.2 Ų76.229%0.29235%0.351SS..PPolyproline II helixtrans-63145.3178.827.1-34.4000110.3A420 Y421 A548A420-P530 HydrophobicContact CB-CG 3.68Å; Y421-P530 VanDerWaalsContact CE1-O 3.29Å; Y421-P530 WeakPolarHBondContact CE1-O 2.97Å; P530-A548 CarbonylContact C-O 3.56Å; P530-A548 WeakPolarHBondContact CA-O 3.49Å
531G87.3Confident71.4Confident0 Ų074.6 Ų74.60%034%0.335CS..EExtended strand (participates in β ladder)trans-66142168.400000110.9T547 A548 H576G531-T547 WeakPolarHBondContact O-CA 3.47Å; G531-A548 PolarHBondContact N-O 3.45Å; G531-A548 PolarHBondContact O-N 3.15Å; G531-H576 CarbonylContact C-O 3.51Å; G531-H576 WeakPolarHBondContact CA-O 3.41Å
532V91.6Very high73.8Confident0 Ų065.7 Ų65.70%030%0.3CS..EExtended strand (participates in β ladder)trans-120.2118.5172.41800000107.4L418 A420 Y421 F545 T547 H576L418-V532 HydrophobicContact CB-CG1 4.46Å; L418-V532 HydrophobicContact CD1-CG1 4.43Å; A420-V532 HydrophobicContact CB-CG2 4.04Å; Y421-V532 HydrophobicContact CE1-CG2 3.7Å; Y421-V532 HydrophobicContact CE2-CG2 4.43Å; V532-F545 HydrophobicContact CG1-CD1 4.29Å; V532-T547 HydrophobicContact CG2-CG2 4.31Å; V532-H576 HydrophobicContact CB-CB 4.17Å; V532-H576 PolarHBondContact N-O 3.06Å; V532-H576 WeakPolarHBondContact O-CA 3.37Å; V532-H576 VanDerWaalsContact O-CB 3.3Å; V532-H576 WeakPolarHBondContact O-CB 3.32Å; V532-H576 PolarHBondContact O-CD2 3.24Å; V532-H576 PolarHBondContact O-N 2.99Å
533Y93.1Very high76.5Confident1 Ų160.2 Ų60.20%0.00428%0.275CS..EExtended strand (participates in β ladder)trans-104.6122.1177-47.5-46.2000108.5V507 F545 T546 A548 T554 I556 Q574 L575 Y583V507-Y533 HydrophobicContact CB-CE2 4.27Å; V507-Y533 HydrophobicContact CG1-CE1 4.07Å; V507-Y533 HydrophobicContact CG1-CE2 4.09Å; Y533-F545 CarbonylContact O-C 3.56Å; Y533-F545 WeakPolarHBondContact O-CA 3.09Å; Y533-T546 PolarHBondContact N-O 3.37Å; Y533-T546 PolarHBondContact O-N 2.87Å; Y533-A548 HydrophobicContact CD2-CB 4.42Å; Y533-A548 HydrophobicContact CE2-CB 3.56Å; Y533-T554 VanDerWaalsContact CE2-OG1 3.25Å; Y533-T554 WeakPolarHBondContact CE2-OG1 3.46Å; Y533-I556 HydrophobicContact CD2-CD1 4.03Å; Y533-I556 HydrophobicContact CG-CD1 4.17Å; Y533-Q574 CarbonylContact C-O 3.52Å; Y533-Q574 WeakPolarHBondContact CA-O 3.49Å; Y533-L575 HydrophobicContact CD1-CB 4.12Å; Y533-L575 HydrophobicContact CD1-CD2 3.35Å; Y533-L575 HydrophobicContact CD1-CG 4.33Å; Y533-L575 HydrophobicContact CE1-CB 4.45Å; Y533-L575 HydrophobicContact CE1-CD2 3.98Å; Y533-L575 HydrophobicContact CG-CD2 3.9Å; Y533-Y583 HydrophobicContact CE1-CE1 4.47Å
534R93.2Very high78.9Confident17 Ų1752 Ų526%0.06425%0.248CC..EExtended strand (participates in β ladder)trans-115.7117.5179.1175.8-173.4-179.3167.712.1109.3E416 D543 S544 F545 Q574E416-R534 IonicContact OE1-CZ 2.69Å; E416-R534 IonicContact OE1-NH1 3.39Å; E416-R534 PolarHBondContact OE1-NH1 3.03Å; E416-R534 IonicContact OE1-NH2 2.71Å; E416-R534 PolarHBondContact OE1-NH2 3.28Å; E416-R534 IonicContact OE2-NH1 2.78Å; E416-R534 PolarHBondContact OE2-NH1 2.86Å; R534-D543 IonicContact CZ-OD2 3.2Å; R534-D543 IonicContact NE-OD2 3.89Å; R534-D543 PolarHBondContact NE-OD2 2.9Å; R534-D543 IonicContact NH2-OD2 2.89Å; R534-D543 PolarHBondContact NH2-OD2 2.79Å; R534-S544 CarbonylContact C-O 3.54Å; R534-S544 VanDerWaalsContact CA-O 3.29Å; R534-S544 WeakPolarHBondContact CA-O 3.3Å; R534-F545 HydrophobicContact CB-CD1 4.05Å; R534-F545 HydrophobicContact CB-CE1 3.95Å; R534-F545 HydrophobicContact CG-CD1 4.16Å; R534-F545 HydrophobicContact CG-CE1 3.67Å; R534-F545 HydrophobicContact CG-CZ 3.98Å; R534-Q574 HydrophobicContact CB-CB 4.29Å; R534-Q574 PolarHBondContact N-O 3.02Å; R534-Q574 PolarHBondContact O-N 3.1Å
535M92.7Very high81.3Confident5 Ų547 Ų473%0.02522%0.222CC..EExtended strand (participates in β ladder)trans-88.4112.7166.3-172.917474.800107.5F496 D543 S544 V571 L573F496-M535 HydrophobicContact CE1-SD 4.37Å; M535-D543 VanDerWaalsContact O-CA 3.24Å; M535-D543 WeakPolarHBondContact O-CA 3.45Å; M535-S544 WeakPolarHBondContact CB-OG 3.31Å; M535-S544 PolarHBondContact N-O 3.41Å; M535-S544 PolarHBondContact O-N 3.44Å; M535-V571 HydrophobicContact CG-CG1 3.81Å; M535-V571 HydrophobicContact SD-CG1 4.38Å; M535-L573 HydrophobicContact CB-CD1 4.41Å
536R91.6Very high83.8Confident108 Ų10843.2 Ų43.241%0.40820%0.202SC..EExtended strand (participates in β ladder)trans-104.4128.1-177.2-177.2174.1-177-175.8-2.1110.5D543 L572R536-D543 WeakPolarHBondContact CA-OD1 3.47Å; R536-D543 WeakPolarHBondContact CG-OD1 3.33Å; R536-L572 HydrophobicContact CB-CB 4.42Å; R536-L572 PolarHBondContact N-O 3.22Å; R536-L572 PolarHBondContact O-N 3.18Å
537V89.6Confident85.7Confident0 Ų039 Ų390%019%0.19CC..  trans-118.2101.8177.7-179.40000108.4W539 R541 E542 D543 L560 V571V537-W539 VanDerWaalsContact C-N 3.33Å; V537-W539 HydrophobicContact CG1-CD2 3.68Å; V537-W539 HydrophobicContact CG1-CE3 4.17Å; V537-W539 HydrophobicContact CG1-CG 4.22Å; V537-W539 HydrophobicContact CG1-CH2 3.99Å; V537-W539 HydrophobicContact CG1-CZ2 3.45Å; V537-W539 VanDerWaalsContact CG1-CZ2 3.45Å; V537-W539 HydrophobicContact CG1-CZ3 4.32Å; V537-W539 PolarHBondContact O-N 3.19Å; V537-R541 PolarHBondContact O-N 3.38Å; V537-E542 HydrophobicContact CB-CG 3.41Å; V537-E542 VanDerWaalsContact CB-CG 3.41Å; V537-E542 HydrophobicContact CG1-CG 3.74Å; V537-E542 HydrophobicContact CG2-CG 3.66Å; V537-D543 PolarHBondContact N-OD1 3.25Å; V537-L560 HydrophobicContact CG1-CD2 4.38Å; V537-L560 HydrophobicContact CG2-CD2 3.83Å; V537-V571 HydrophobicContact CG2-CG1 4.23Å; V537-V571 HydrophobicContact CG2-CG2 4.45Å
538P82.8Confident87.2Confident62 Ų6232.3 Ų32.340%0.40316%0.156SC..THydrogen-bonded Turntrans-68.6-27.7-162.924.6-33.5000114.1
539W84.1Confident87.7Confident51 Ų5132.8 Ų32.819%0.19317%0.173CC..THydrogen-bonded Turntrans-82.2-26.3-174.655.588.7000114.8V537 L560 T562 R564 P565 S569 V571V537-W539 VanDerWaalsContact C-N 3.33Å; V537-W539 HydrophobicContact CG1-CD2 3.68Å; V537-W539 HydrophobicContact CG1-CE3 4.17Å; V537-W539 HydrophobicContact CG1-CG 4.22Å; V537-W539 HydrophobicContact CG1-CH2 3.99Å; V537-W539 HydrophobicContact CG1-CZ2 3.45Å; V537-W539 VanDerWaalsContact CG1-CZ2 3.45Å; V537-W539 HydrophobicContact CG1-CZ3 4.32Å; V537-W539 PolarHBondContact O-N 3.19Å; W539-L560 HydrophobicContact CZ2-CD1 4.24Å; W539-L560 HydrophobicContact CZ2-CD2 4.34Å; W539-T562 PolarHBondContact NE1-O 2.97Å; W539-T562 PolarHBondContact NE1-OG1 3.38Å; W539-T562 VanDerWaalsContact NE1-OG1 3.16Å; W539-R564 HydrophobicContact CE3-CG 4.15Å; W539-R564 HydrophobicContact CH2-CB 4.03Å; W539-R564 HydrophobicContact CH2-CG 4.17Å; W539-R564 HydrophobicContact CZ2-CB 4.08Å; W539-R564 HydrophobicContact CZ3-CB 4.31Å; W539-R564 HydrophobicContact CZ3-CG 3.95Å; W539-P565 HydrophobicContact CB-CG 3.63Å; W539-P565 VanDerWaalsContact CG-CD 3.4Å; W539-P565 HydrophobicContact CG-CG 4.03Å; W539-S569 WeakPolarHBondContact CZ3-OG 3.44Å; W539-V571 HydrophobicContact CH2-CG2 3.65Å; W539-V571 HydrophobicContact CZ2-CG2 4.35Å; W539-V571 HydrophobicContact CZ3-CG2 4.44Å
540F82.6Confident87.5Confident14 Ų1433 Ų336%0.06118%0.176CC..THydrogen-bonded Turntrans-124.9-1.7-173.8-165.9-114.7000114.9S247 V265 E542 H561 T562S247-F540 VanDerWaalsContact O-CZ 3.29Å; S247-F540 WeakPolarHBondContact O-CZ 3.1Å; V265-F540 HydrophobicContact CG2-CD1 4.13Å; V265-F540 HydrophobicContact CG2-CE1 3.78Å; F540-E542 VanDerWaalsContact C-N 3.33Å; F540-E542 HydrophobicContact CB-CG 4.49Å; F540-E542 HydrophobicContact CD1-CB 4.12Å; F540-E542 HydrophobicContact CD1-CG 4.36Å; F540-E542 WeakPolarHBondContact CD1-OE2 3.22Å; F540-E542 PolarHBondContact O-N 3.12Å; F540-H561 HydrophobicContact CD1-CB 4.5Å; F540-H561 HydrophobicContact CE1-CB 4.37Å; F540-T562 HydrophobicContact CB-CG2 4.32Å; F540-T562 WeakPolarHBondContact CB-OG1 3.21Å; F540-T562 HydrophobicContact CD1-CG2 3.72Å; F540-T562 HydrophobicContact CD2-CG2 3.7Å; F540-T562 HydrophobicContact CE1-CG2 3.93Å; F540-T562 HydrophobicContact CE2-CG2 3.91Å; F540-T562 HydrophobicContact CG-CG2 3.62Å; F540-T562 VanDerWaalsContact CG-OG1 3.3Å; F540-T562 WeakPolarHBondContact CG-OG1 3.17Å; F540-T562 HydrophobicContact CZ-CG2 4.03Å
541R86.3Confident87Confident103 Ų10335.6 Ų35.639%0.38919%0.193SC..THydrogen-bonded Turntrans5252.6-179.7-58.9179.3178.9166.3-1.5111.7L264 V265 A268 V537L264-R541 HydrophobicContact CB-CB 4.16Å; V265-R541 PolarHBondContact N-O 2.92Å; A268-R541 VanDerWaalsContact CB-O 3.29Å; A268-R541 WeakPolarHBondContact CB-O 3.43Å; V537-R541 PolarHBondContact O-N 3.38Å
542E87.9Confident86.7Confident6 Ų636.5 Ų36.53%0.02820%0.2CC..  trans-106.137.8177.758.6177.9-153.900112.3V265 V537 F540 S544 L560 H561V265-E542 HydrophobicContact CB-CB 4.19Å; V265-E542 HydrophobicContact CG2-CB 3.61Å; V537-E542 HydrophobicContact CB-CG 3.41Å; V537-E542 VanDerWaalsContact CB-CG 3.41Å; V537-E542 HydrophobicContact CG1-CG 3.74Å; V537-E542 HydrophobicContact CG2-CG 3.66Å; F540-E542 VanDerWaalsContact C-N 3.33Å; F540-E542 HydrophobicContact CB-CG 4.49Å; F540-E542 HydrophobicContact CD1-CB 4.12Å; F540-E542 HydrophobicContact CD1-CG 4.36Å; F540-E542 WeakPolarHBondContact CD1-OE2 3.22Å; F540-E542 PolarHBondContact O-N 3.12Å; E542-S544 PolarHBondContact O-N 2.75Å; E542-L560 WeakPolarHBondContact OE1-CA 3.41Å; E542-L560 WeakPolarHBondContact OE1-CD2 3.39Å; E542-H561 PolarHBondContact OE1-N 3.22Å; E542-H561 WeakPolarHBondContact OE2-CA 3.3Å; E542-H561 WeakPolarHBondContact OE2-CB 3.37Å; E542-H561 IonicContact OE2-CD2 3.97Å; E542-H561 PolarHBondContact OE2-CD2 2.85Å; E542-H561 IonicContact OE2-CG 3.09Å; E542-H561 PolarHBondContact OE2-N 3.08Å
543D90.5Very high86.4Confident11 Ų1140.4 Ų40.46%0.05923%0.232CC..  trans-58.5135.6-175.6-65.94.5000111.3T267 A268 R534 M535 R536 V537 F545T267-D543 CarbonylContact C-O 3.55Å; T267-D543 WeakPolarHBondContact CB-O 3.49Å; T267-D543 PolarHBondContact OG1-O 3.25Å; A268-D543 HydrophobicContact CB-CB 3.99Å; A268-D543 PolarHBondContact N-O 3.41Å; R534-D543 IonicContact CZ-OD2 3.2Å; R534-D543 IonicContact NE-OD2 3.89Å; R534-D543 PolarHBondContact NE-OD2 2.9Å; R534-D543 IonicContact NH2-OD2 2.89Å; R534-D543 PolarHBondContact NH2-OD2 2.79Å; M535-D543 VanDerWaalsContact O-CA 3.24Å; M535-D543 WeakPolarHBondContact O-CA 3.45Å; R536-D543 WeakPolarHBondContact CA-OD1 3.47Å; R536-D543 WeakPolarHBondContact CG-OD1 3.33Å; V537-D543 PolarHBondContact N-OD1 3.25Å; D543-F545 HydrophobicContact CB-CE2 3.99Å; D543-F545 HydrophobicContact CB-CZ 4.33Å
544S89.4Confident86.2Confident27 Ų2741.6 Ų41.619%0.18924%0.239CC..EExtended strand (participates in β ladder)trans-119144.7175.274.10000110.6R534 M535 E542R534-S544 CarbonylContact C-O 3.54Å; R534-S544 VanDerWaalsContact CA-O 3.29Å; R534-S544 WeakPolarHBondContact CA-O 3.3Å; M535-S544 WeakPolarHBondContact CB-OG 3.31Å; M535-S544 PolarHBondContact N-O 3.41Å; M535-S544 PolarHBondContact O-N 3.44Å; E542-S544 PolarHBondContact O-N 2.75Å
545F91.1Very high86Confident20 Ų2046 Ų469%0.08826%0.261CS..EExtended strand (participates in β ladder)trans-122.9135.7-174.5-63.8-93.9000110.5T267 W273 L418 P419 V532 Y533 R534 D543T267-F545 WeakPolarHBondContact O-CD2 3.41Å; W273-F545 HydrophobicContact CB-CB 4.42Å; W273-F545 HydrophobicContact CB-CD2 4.26Å; W273-F545 AromaticContact CD1-CD2 3.31Å; W273-F545 AromaticContact CD1-CE2 3.4Å; W273-F545 VanDerWaalsContact CD1-CE2 3.4Å; W273-F545 AromaticContact CD1-CG 3.89Å; W273-F545 HydrophobicContact CG-CD2 4.03Å; W273-F545 HydrophobicContact CG-CE2 4.48Å; W273-F545 HydrophobicContact CG-CG 4.34Å; W273-F545 AromaticContact NE1-CE2 3.84Å; L418-F545 HydrophobicContact CD2-CE1 3.93Å; P419-F545 HydrophobicContact CG-CB 4.01Å; P419-F545 HydrophobicContact CG-CD1 4.18Å; P419-F545 HydrophobicContact CG-CG 4.22Å; V532-F545 HydrophobicContact CG1-CD1 4.29Å; Y533-F545 CarbonylContact O-C 3.56Å; Y533-F545 WeakPolarHBondContact O-CA 3.09Å; R534-F545 HydrophobicContact CB-CD1 4.05Å; R534-F545 HydrophobicContact CB-CE1 3.95Å; R534-F545 HydrophobicContact CG-CD1 4.16Å; R534-F545 HydrophobicContact CG-CE1 3.67Å; R534-F545 HydrophobicContact CG-CZ 3.98Å; D543-F545 HydrophobicContact CB-CE2 3.99Å; D543-F545 HydrophobicContact CB-CZ 4.33Å
546T89.6Confident85.9Confident23 Ų2346.2 Ų46.214%0.14126%0.262CS..EExtended strand (participates in β ladder)trans-132.6128.6173.5-56.90000108.9Y533 I556Y533-T546 PolarHBondContact N-O 3.37Å; Y533-T546 PolarHBondContact O-N 2.87Å; T546-I556 HydrophobicContact CG2-CG1 4.33Å
547T88.1Confident85.8Confident79 Ų7942 Ų4249%0.48525%0.249SC..EExtended strand (participates in β ladder)trans-104142.5178.555.90000110.4P419 G531 V532P419-T547 HydrophobicContact CB-CG2 3.79Å; P419-T547 HydrophobicContact CG-CG2 4.34Å; G531-T547 WeakPolarHBondContact O-CA 3.47Å; V532-T547 HydrophobicContact CG2-CG2 4.31Å
548A85.4Confident85.8Confident8 Ų842 Ų427%0.06625%0.249CC..EExtended strand (participates in β ladder)trans-148.2133.5-176.200000112.1P530 G531 Y533 T554P530-A548 CarbonylContact C-O 3.56Å; P530-A548 WeakPolarHBondContact CA-O 3.49Å; G531-A548 PolarHBondContact N-O 3.45Å; G531-A548 PolarHBondContact O-N 3.15Å; Y533-A548 HydrophobicContact CD2-CB 4.42Å; Y533-A548 HydrophobicContact CE2-CB 3.56Å; A548-T554 HydrophobicContact CB-CG2 3.43Å; A548-T554 VanDerWaalsContact CB-CG2 3.43Å
549S82.5Confident86.2Confident94 Ų9439.4 Ų39.466%0.65723%0.232SC*.PPolyproline II helixtrans-85.8117.3172.643.80000111P551 S552S549-P551 CarbonylContact O-C 3.47Å; S549-S552 VanDerWaalsContact O-CB 3.31Å; S549-S552 WeakPolarHBondContact O-CB 3.27Å
550A73.8Confident86.4Confident18 Ų1837 Ų3715%0.14922%0.222CC..SBendtrans-77.9137.9-179.100000112.1A578A550-A578 HydrophobicContact CB-CB 3.84Å
551P73.6Confident86.6Confident100 Ų10036.7 Ų36.765%0.64922%0.221SC*.SBendcis-75.3138.40.231.2-34.2000112.7S509 C511 S549S509-P551 WeakPolarHBondContact O-CB 3.42Å; S509-P551 WeakPolarHBondContact OG-CA 3.36Å; C511-P551 HydrophobicContact CB-CB 4.49Å; S549-P551 CarbonylContact O-C 3.47Å
552S80.3Confident86.5Confident19 Ų1932.5 Ų32.513%0.13321%0.207CC..  trans-143.7148.1-175.164.50000111.7V508 S509 S549V508-S552 WeakPolarHBondContact CA-O 3.44Å; S509-S552 PolarHBondContact N-O 2.98Å; S509-S552 PolarHBondContact OG-N 3.45Å; S509-S552 PolarHBondContact OG-O 2.99Å; S509-S552 PolarHBondContact OG-OG 3.46Å; S549-S552 VanDerWaalsContact O-CB 3.31Å; S549-S552 WeakPolarHBondContact O-CB 3.27Å
553A86.8Confident86.3Confident82 Ų8233.6 Ų33.668%0.67822%0.215SC*.EExtended strand (participates in β ladder)trans-112.1108.9158.100000107.6V508V508-A553 HydrophobicContact CG1-CB 4.47Å; V508-A553 HydrophobicContact CG2-CB 4.22Å
554T88.3Confident85.9Confident27 Ų2736.7 Ų36.717%0.16623%0.226CC..EExtended strand (participates in β ladder)trans-120.2145.6-178.152.20000111.5S506 V507 Y533 A548S506-T554 WeakPolarHBondContact CA-O 3.47Å; V507-T554 PolarHBondContact N-O 2.94Å; V507-T554 PolarHBondContact O-N 3.24Å; V507-T554 PolarHBondContact O-OG1 3.34Å; Y533-T554 VanDerWaalsContact CE2-OG1 3.25Å; Y533-T554 WeakPolarHBondContact CE2-OG1 3.46Å; A548-T554 HydrophobicContact CB-CG2 3.43Å; A548-T554 VanDerWaalsContact CB-CG2 3.43Å
555E89.4Confident85.2Confident110 Ų11039.1 Ų39.151%0.51424%0.241SC..EExtended strand (participates in β ladder)trans-114.8131.4180-62.5-177175.700110.6R504 I505R504-E555 IonicContact CZ-OE1 3.56Å; R504-E555 IonicContact CZ-OE2 2.87Å; R504-E555 IonicContact NE-OE1 3.85Å; R504-E555 PolarHBondContact NE-OE1 3Å; R504-E555 IonicContact NE-OE2 2.74Å; R504-E555 PolarHBondContact NE-OE2 3.11Å; R504-E555 IonicContact NH2-OE1 3.85Å; R504-E555 PolarHBondContact NH2-OE1 3.48Å; R504-E555 IonicContact NH2-OE2 2.78Å; R504-E555 PolarHBondContact NH2-OE2 3.29Å; I505-E555 CarbonylContact O-C 3.57Å; I505-E555 WeakPolarHBondContact O-CA 3.38Å
556I90.4Very high84.4Confident8 Ų841.5 Ų41.54%0.04126%0.255CS..EExtended strand (participates in β ladder)trans-117.9136.8179.9-53.3171.1000107I505 V507 Y533 T546 L573I505-I556 HydrophobicContact CB-CB 4.26Å; I505-I556 PolarHBondContact N-O 3.06Å; I505-I556 PolarHBondContact O-N 2.97Å; V507-I556 HydrophobicContact CG2-CD1 4.04Å; Y533-I556 HydrophobicContact CD2-CD1 4.03Å; Y533-I556 HydrophobicContact CG-CD1 4.17Å; T546-I556 HydrophobicContact CG2-CG1 4.33Å; I556-L573 HydrophobicContact CD1-CD1 4.23Å
557S89Confident83.5Confident20 Ų2047.3 Ų47.314%0.1429%0.285CS..EExtended strand (participates in β ladder)trans-86.5115.2173.865.80000110.5M559S557-M559 PolarHBondContact O-N 3.21Å
558G89.8Confident82.7Confident0 Ų047 Ų470%030%0.297CS..EExtended strand (participates in β ladder)trans-88.695174.400000109.5A502 F503A502-G558 WeakPolarHBondContact CA-O 3.39Å; F503-G558 PolarHBondContact N-O 2.83Å; F503-G558 PolarHBondContact O-N 3.13Å
559M90.5Very high82.6Confident8 Ų847.4 Ų47.44%0.03930%0.3CS..  trans-135.3157.3176.6-67.1-177-60.100108.8Y240 A502 S557 Q597Y240-M559 HydrophobicContact CD1-CE 3.89Å; Y240-M559 HydrophobicContact CD2-CE 4.02Å; Y240-M559 HydrophobicContact CE1-CB 3.75Å; Y240-M559 HydrophobicContact CE1-CE 4.05Å; Y240-M559 HydrophobicContact CE2-CB 4.19Å; Y240-M559 HydrophobicContact CE2-CE 4.17Å; Y240-M559 HydrophobicContact CG-CE 3.9Å; Y240-M559 WeakPolarHBondContact OH-CB 3.05Å; Y240-M559 PolarHBondContact OH-O 3.32Å; A502-M559 HydrophobicContact CB-CG 3.97Å; A502-M559 HydrophobicContact CB-SD 4.48Å; S557-M559 PolarHBondContact O-N 3.21Å; M559-Q597 HydrophobicContact SD-CG 4.29Å; M559-Q597 PolarHBondContact SD-NE2 2.97Å
560L89.9Confident82.7Confident0 Ų044.1 Ų44.10%028%0.277CS..  trans-119.8147.2176.7-59.2172.6000111.5Y240 F496 V537 W539 E542 V571Y240-L560 VanDerWaalsContact OH-C 3.24Å; Y240-L560 VanDerWaalsContact OH-CA 3.29Å; Y240-L560 WeakPolarHBondContact OH-CA 3.5Å; Y240-L560 PolarHBondContact OH-N 3.44Å; Y240-L560 VanDerWaalsContact OH-N 3.09Å; F496-L560 HydrophobicContact CD2-CD1 3.8Å; F496-L560 HydrophobicContact CD2-CG 4.2Å; F496-L560 HydrophobicContact CE1-CD2 4.03Å; F496-L560 HydrophobicContact CE1-CG 4.21Å; F496-L560 HydrophobicContact CE2-CD1 3.61Å; F496-L560 HydrophobicContact CE2-CD2 4.24Å; F496-L560 HydrophobicContact CE2-CG 3.52Å; F496-L560 HydrophobicContact CG-CD1 4.43Å; F496-L560 HydrophobicContact CZ-CD1 4.06Å; F496-L560 HydrophobicContact CZ-CD2 3.81Å; F496-L560 HydrophobicContact CZ-CG 3.52Å; V537-L560 HydrophobicContact CG1-CD2 4.38Å; V537-L560 HydrophobicContact CG2-CD2 3.83Å; W539-L560 HydrophobicContact CZ2-CD1 4.24Å; W539-L560 HydrophobicContact CZ2-CD2 4.34Å; E542-L560 WeakPolarHBondContact OE1-CA 3.41Å; E542-L560 WeakPolarHBondContact OE1-CD2 3.39Å; L560-V571 HydrophobicContact CD2-CG2 3.91Å
561H87.1Confident83.5Confident7 Ų743.2 Ų43.23%0.03227%0.27CS..SBendtrans-91.9-22.5167.7-55.3-74.7000113.2Y240 F540 E542 F601Y240-H561 AromaticContact CD1-CE1 3.29Å; Y240-H561 WeakPolarHBondContact CD1-CE1 3.03Å; Y240-H561 AromaticContact CD1-ND1 3.9Å; Y240-H561 AromaticContact CD2-CE1 3.87Å; Y240-H561 AromaticContact CD2-NE2 3.91Å; Y240-H561 AromaticContact CE1-CE1 3.18Å; Y240-H561 WeakPolarHBondContact CE1-CE1 3.48Å; Y240-H561 AromaticContact CE1-ND1 3.49Å; Y240-H561 WeakPolarHBondContact CE1-ND1 3.47Å; Y240-H561 AromaticContact CE1-NE2 3.81Å; Y240-H561 AromaticContact CE2-CE1 3.78Å; Y240-H561 AromaticContact CE2-NE2 3.61Å; Y240-H561 AromaticContact CG-CE1 3.61Å; Y240-H561 AromaticContact CZ-CE1 3.39Å; Y240-H561 AromaticContact CZ-ND1 3.87Å; Y240-H561 AromaticContact CZ-NE2 3.5Å; F540-H561 HydrophobicContact CD1-CB 4.5Å; F540-H561 HydrophobicContact CE1-CB 4.37Å; E542-H561 PolarHBondContact OE1-N 3.22Å; E542-H561 WeakPolarHBondContact OE2-CA 3.3Å; E542-H561 WeakPolarHBondContact OE2-CB 3.37Å; E542-H561 IonicContact OE2-CD2 3.97Å; E542-H561 PolarHBondContact OE2-CD2 2.85Å; E542-H561 IonicContact OE2-CG 3.09Å; E542-H561 PolarHBondContact OE2-N 3.08Å; H561-F601 WeakPolarHBondContact O-CZ 3.35Å
562T83.8Confident84.5Confident15 Ų1540.2 Ų40.29%0.09225%0.248CC..SBendtrans-135.4139.4178.554.70000110.8V499 W539 F540V499-T562 VanDerWaalsContact CG1-C 3.47Å; W539-T562 PolarHBondContact NE1-O 2.97Å; W539-T562 PolarHBondContact NE1-OG1 3.38Å; W539-T562 VanDerWaalsContact NE1-OG1 3.16Å; F540-T562 HydrophobicContact CB-CG2 4.32Å; F540-T562 WeakPolarHBondContact CB-OG1 3.21Å; F540-T562 HydrophobicContact CD1-CG2 3.72Å; F540-T562 HydrophobicContact CD2-CG2 3.7Å; F540-T562 HydrophobicContact CE1-CG2 3.93Å; F540-T562 HydrophobicContact CE2-CG2 3.91Å; F540-T562 HydrophobicContact CG-CG2 3.62Å; F540-T562 VanDerWaalsContact CG-OG1 3.3Å; F540-T562 WeakPolarHBondContact CG-OG1 3.17Å; F540-T562 HydrophobicContact CZ-CG2 4.03Å
563S83.3Confident85.1Confident29 Ų2939.3 Ų39.320%0.20324%0.242CC..  trans-70.4154.6174.6-62.20000109.5H497 V499H497-S563 WeakPolarHBondContact O-CA 3.29Å; V499-S563 VanDerWaalsContact CG1-N 3.34Å
564R82.6Confident85.4Confident76 Ų7636.4 Ų36.429%0.28721%0.214SC..  trans-61.3127.4179.3-174.3177.769.1160.67110.9H497 W539 D566 N567 S569H497-R564 HydrophobicContact CB-CB 3.84Å; H497-R564 PolarHBondContact O-N 3.21Å; W539-R564 HydrophobicContact CE3-CG 4.15Å; W539-R564 HydrophobicContact CH2-CB 4.03Å; W539-R564 HydrophobicContact CH2-CG 4.17Å; W539-R564 HydrophobicContact CZ2-CB 4.08Å; W539-R564 HydrophobicContact CZ3-CB 4.31Å; W539-R564 HydrophobicContact CZ3-CG 3.95Å; R564-D566 WeakPolarHBondContact CD-O 3.49Å; R564-D566 WeakPolarHBondContact CG-O 3.25Å; R564-D566 PolarHBondContact NE-O 3.32Å; R564-D566 VanDerWaalsContact NE-O 3.1Å; R564-N567 PolarHBondContact NH1-O 2.72Å; R564-N567 PolarHBondContact NH2-OD1 3.43Å; R564-N567 VanDerWaalsContact NH2-OD1 3.16Å; R564-S569 WeakPolarHBondContact CD-O 3.42Å; R564-S569 WeakPolarHBondContact CG-OG 3.2Å; R564-S569 PolarHBondContact NH1-O 2.75Å
565P74.7Confident85.5Confident78 Ų7835.1 Ų35.151%0.50621%0.206SC..  trans-84.6-27.6178.931.8-32.8000113.5W539W539-P565 HydrophobicContact CB-CG 3.63Å; W539-P565 VanDerWaalsContact CG-CD 3.4Å; W539-P565 HydrophobicContact CG-CG 4.03Å
566D74.5Confident85.6Confident71 Ų7130.2 Ų30.238%0.3818%0.183SC..SBendtrans-129.7151.9-171.166-56.2000112.6R564 G568 S569R564-D566 WeakPolarHBondContact CD-O 3.49Å; R564-D566 WeakPolarHBondContact CG-O 3.25Å; R564-D566 PolarHBondContact NE-O 3.32Å; R564-D566 VanDerWaalsContact NE-O 3.1Å; D566-G568 VanDerWaalsContact C-N 3.33Å; D566-G568 PolarHBondContact O-N 3.2Å; D566-S569 VanDerWaalsContact CG-OG 3.27Å; D566-S569 WeakPolarHBondContact OD1-CB 3.39Å; D566-S569 PolarHBondContact OD1-OG 3.23Å; D566-S569 VanDerWaalsContact OD2-CB 3.31Å; D566-S569 WeakPolarHBondContact OD2-CB 3.5Å; D566-S569 PolarHBondContact OD2-N 3.39Å; D566-S569 VanDerWaalsContact OD2-N 3.11Å; D566-S569 PolarHBondContact OD2-OG 3.33Å
567N69.5Low85.5Confident144 Ų14429.8 Ų29.877%0.7718%0.181SC*.SBendtrans-75.4-19.3-176.2-78.7-22.2000114.6R564R564-N567 PolarHBondContact NH1-O 2.72Å; R564-N567 PolarHBondContact NH2-OD1 3.43Å; R564-N567 VanDerWaalsContact NH2-OD1 3.16Å
568G72.2Confident85.2Confident72 Ų7228.9 Ų28.974%0.74218%0.175SC*.SBendtrans-85.4-23.1-175.400000114.8D566D566-G568 VanDerWaalsContact C-N 3.33Å; D566-G568 PolarHBondContact O-N 3.2Å
569S81.8Confident84.7Confident18 Ų1829.7 Ų29.713%0.12618%0.18CC..  trans-85.1152.718072.60000112.8W539 R564 D566W539-S569 WeakPolarHBondContact CZ3-OG 3.44Å; R564-S569 WeakPolarHBondContact CD-O 3.42Å; R564-S569 WeakPolarHBondContact CG-OG 3.2Å; R564-S569 PolarHBondContact NH1-O 2.75Å; D566-S569 VanDerWaalsContact CG-OG 3.27Å; D566-S569 WeakPolarHBondContact OD1-CB 3.39Å; D566-S569 PolarHBondContact OD1-OG 3.23Å; D566-S569 VanDerWaalsContact OD2-CB 3.31Å; D566-S569 WeakPolarHBondContact OD2-CB 3.5Å; D566-S569 PolarHBondContact OD2-N 3.39Å; D566-S569 VanDerWaalsContact OD2-N 3.11Å; D566-S569 PolarHBondContact OD2-OG 3.33Å
570S86.3Confident84.2Confident24 Ų2434.6 Ų34.617%0.16821%0.207CC..  trans-149.9157.1177.154.30000110.3Q492Q492-S570 VanDerWaalsContact CG-OG 3.24Å; Q492-S570 WeakPolarHBondContact CG-OG 3.48Å; Q492-S570 PolarHBondContact NE2-OG 3.21Å
571V90.8Very high83.8Confident0 Ų035 Ų350%021%0.209CC..EExtended strand (participates in β ladder)trans-73.1128.7178.1-176.70000109.1L493 F496 M535 V537 W539 L560L493-V571 HydrophobicContact CB-CB 4.38Å; L493-V571 HydrophobicContact CD1-CG1 4.21Å; L493-V571 PolarHBondContact N-O 3Å; F496-V571 HydrophobicContact CB-CG2 4.41Å; F496-V571 HydrophobicContact CD1-CB 3.83Å; F496-V571 HydrophobicContact CD1-CG1 3.95Å; F496-V571 HydrophobicContact CD1-CG2 3.65Å; F496-V571 HydrophobicContact CE1-CB 4.44Å; F496-V571 HydrophobicContact CE1-CG1 4.12Å; F496-V571 HydrophobicContact CE1-CG2 4.16Å; F496-V571 HydrophobicContact CG-CG2 4.13Å; M535-V571 HydrophobicContact CG-CG1 3.81Å; M535-V571 HydrophobicContact SD-CG1 4.38Å; V537-V571 HydrophobicContact CG2-CG1 4.23Å; V537-V571 HydrophobicContact CG2-CG2 4.45Å; W539-V571 HydrophobicContact CH2-CG2 3.65Å; W539-V571 HydrophobicContact CZ2-CG2 4.35Å; W539-V571 HydrophobicContact CZ3-CG2 4.44Å; L560-V571 HydrophobicContact CD2-CG2 3.91Å
572L92.7Very high83.9Confident36 Ų3639 Ų3919%0.18823%0.228CC..EExtended strand (participates in β ladder)trans-111.7120.1-178-165.872.2000110.1N490 Q492 R536 Q574N490-L572 HydrophobicContact CB-CD1 3.87Å; N490-L572 HydrophobicContact CB-CD2 4.3Å; N490-L572 HydrophobicContact CB-CG 4.24Å; Q492-L572 HydrophobicContact CB-CD1 4.4Å; R536-L572 HydrophobicContact CB-CB 4.42Å; R536-L572 PolarHBondContact N-O 3.22Å; R536-L572 PolarHBondContact O-N 3.18Å; L572-Q574 HydrophobicContact CD2-CG 3.74Å; L572-Q574 HydrophobicContact CG-CG 4.04Å
573L93.8Very high84.1Confident0 Ų038.3 Ų38.30%022%0.223CC..EExtended strand (participates in β ladder)trans-94.3102.3170.2178.666.1000109.1I491 I505 M535 I556 L575 V585I491-L573 HydrophobicContact CB-CB 4.22Å; I491-L573 HydrophobicContact CD1-CD2 4.46Å; I491-L573 PolarHBondContact N-O 3.08Å; I491-L573 PolarHBondContact O-N 3.37Å; I505-L573 HydrophobicContact CG2-CD2 3.94Å; M535-L573 HydrophobicContact CB-CD1 4.41Å; I556-L573 HydrophobicContact CD1-CD1 4.23Å; L573-L575 HydrophobicContact CD1-CD2 4.29Å; L573-L575 HydrophobicContact CD2-CD2 4.11Å; L573-L575 HydrophobicContact CG-CD2 3.89Å; L573-L575 HydrophobicContact CG-CG 4.45Å; L573-V585 HydrophobicContact CD2-CG1 4.16Å
574Q92.8Very high84.5Confident22 Ų2240.8 Ų40.810%0.10323%0.231CC..EExtended strand (participates in β ladder)trans-87.9119.7176.6-49.2-167-66.600109.5L488 H489 N490 Y533 R534 L572L488-Q574 HydrophobicContact CD1-CB 4.46Å; H489-Q574 CarbonylContact O-C 3.55Å; H489-Q574 WeakPolarHBondContact O-CA 3.31Å; N490-Q574 WeakPolarHBondContact OD1-CG 2.98Å; N490-Q574 PolarHBondContact OD1-NE2 3.22Å; Y533-Q574 CarbonylContact C-O 3.52Å; Y533-Q574 WeakPolarHBondContact CA-O 3.49Å; R534-Q574 HydrophobicContact CB-CB 4.29Å; R534-Q574 PolarHBondContact N-O 3.02Å; R534-Q574 PolarHBondContact O-N 3.1Å; L572-Q574 HydrophobicContact CD2-CG 3.74Å; L572-Q574 HydrophobicContact CG-CG 4.04Å
575L91.4Very high85Confident0 Ų037.2 Ų37.20%022%0.217CC..EExtended strand (participates in β ladder)trans-105.5106.1177.5-52.8175.4000108.6L488 H489 I491 V507 Y533 L573 T577 V585L488-L575 WeakPolarHBondContact CA-O 3.06Å; H489-L575 HydrophobicContact CB-CB 4.37Å; H489-L575 PolarHBondContact N-O 3.41Å; H489-L575 PolarHBondContact O-N 2.88Å; I491-L575 HydrophobicContact CD1-CD1 3.6Å; I491-L575 HydrophobicContact CD1-CG 4.37Å; I491-L575 HydrophobicContact CG1-CD1 4.43Å; V507-L575 HydrophobicContact CG1-CD2 4.48Å; V507-L575 HydrophobicContact CG2-CD2 4.35Å; Y533-L575 HydrophobicContact CD1-CB 4.12Å; Y533-L575 HydrophobicContact CD1-CD2 3.35Å; Y533-L575 HydrophobicContact CD1-CG 4.33Å; Y533-L575 HydrophobicContact CE1-CB 4.45Å; Y533-L575 HydrophobicContact CE1-CD2 3.98Å; Y533-L575 HydrophobicContact CG-CD2 3.9Å; L573-L575 HydrophobicContact CD1-CD2 4.29Å; L573-L575 HydrophobicContact CD2-CD2 4.11Å; L573-L575 HydrophobicContact CG-CD2 3.89Å; L573-L575 HydrophobicContact CG-CG 4.45Å; L575-T577 HydrophobicContact CB-CG2 3.85Å; L575-T577 PolarHBondContact O-N 3.04Å; L575-V585 HydrophobicContact CD1-CG2 3.84Å
576H90.6Very high85.9Confident6 Ų633.8 Ų33.83%0.02820%0.195CC..EExtended strand (participates in β ladder)trans-86.3103.3166.8-57.7-98000108Y382 Y421 L487 G531 V532Y382-H576 AromaticContact CE2-ND1 3.75Å; Y382-H576 AromaticContact CZ-ND1 3.67Å; Y382-H576 PolarHBondContact OH-ND1 3.2Å; Y421-H576 HydrophobicContact CE2-CB 4.35Å; Y421-H576 WeakPolarHBondContact OH-CB 3.29Å; L487-H576 CarbonylContact O-C 3.49Å; L487-H576 WeakPolarHBondContact O-CA 3.09Å; G531-H576 CarbonylContact C-O 3.51Å; G531-H576 WeakPolarHBondContact CA-O 3.41Å; V532-H576 HydrophobicContact CB-CB 4.17Å; V532-H576 PolarHBondContact N-O 3.06Å; V532-H576 WeakPolarHBondContact O-CA 3.37Å; V532-H576 VanDerWaalsContact O-CB 3.3Å; V532-H576 WeakPolarHBondContact O-CB 3.32Å; V532-H576 PolarHBondContact O-CD2 3.24Å; V532-H576 PolarHBondContact O-N 2.99Å
577T88Confident86.9Confident0 Ų030.5 Ų30.50%018%0.178CC..PPolyproline II helixtrans-101.7159.8-16340.40000112.8R384 G486 L487 H489 L575 Y583R384-T577 VanDerWaalsContact CZ-O 3.25Å; R384-T577 PolarHBondContact NH1-O 3.41Å; R384-T577 PolarHBondContact NH2-O 3.15Å; G486-T577 PolarHBondContact O-OG1 3.05Å; L487-T577 PolarHBondContact O-N 2.65Å; L487-T577 PolarHBondContact O-OG1 2.96Å; H489-T577 PolarHBondContact CD2-OG1 3.33Å; L575-T577 HydrophobicContact CB-CG2 3.85Å; L575-T577 PolarHBondContact O-N 3.04Å; T577-Y583 HydrophobicContact CG2-CD1 3.94Å; T577-Y583 HydrophobicContact CG2-CD2 3.62Å; T577-Y583 HydrophobicContact CG2-CE1 3.73Å; T577-Y583 HydrophobicContact CG2-CE2 3.42Å; T577-Y583 VanDerWaalsContact CG2-CE2 3.42Å; T577-Y583 HydrophobicContact CG2-CG 3.89Å; T577-Y583 VanDerWaalsContact CG2-CZ 3.49Å
578A82.8Confident88.1Confident1 Ų129.7 Ų29.71%0.00816%0.164CC..PPolyproline II helixtrans-82.4146.9168.100000109.4A550 Y583A550-A578 HydrophobicContact CB-CB 3.84Å; A578-Y583 WeakPolarHBondContact CB-OH 3.19Å; A578-Y583 PolarHBondContact N-OH 2.72Å; A578-Y583 PolarHBondContact O-OH 3.29Å
579P78.7Confident89.1Confident17 Ų1726.7 Ų26.711%0.1113%0.131CC..THydrogen-bonded Turntrans-68.5161.2178.527.9-35000114.4R353 R528 C581R353-P579 VanDerWaalsContact CZ-CB 3.4Å; R353-P579 VanDerWaalsContact NH1-CB 3.34Å; R353-P579 VanDerWaalsContact NH2-CG 3.28Å; R528-P579 PolarHBondContact NH1-O 3.21Å; R528-P579 VanDerWaalsContact NH1-O 3.14Å; P579-C581 PolarHBondContact O-N 3.1Å; P579-C581 PolarHBondContact O-SG 3.28Å; P579-C581 VanDerWaalsContact O-SG 3.36Å
580N80.2Confident89.6Confident111 Ų11126.8 Ų26.859%0.59413%0.132SC*.THydrogen-bonded Turntrans56.435.4174.6-55.1-26.8000112.6
581C82.3Confident89.8Confident8 Ų829 Ų295%0.05414%0.138CC..EExtended strand (participates in β ladder)trans-129.9143.6175.4-56.10000110H510 C511 R528 P579 Y583H510-C581 WeakPolarHBondContact O-CA 3.34Å; C511-C581 HydrophobicContact CB-CB 4.05Å; C511-C581 WeakPolarHBondContact CB-SG 3.4Å; C511-C581 WeakPolarHBondContact SG-CB 3.28Å; C511-C581 CovalentContact SG-SG 2.04Å; C511-C581 PolarHBondContact SG-SG 3.43Å; R528-C581 PolarHBondContact NH1-SG 2.86Å; P579-C581 PolarHBondContact O-N 3.1Å; P579-C581 PolarHBondContact O-SG 3.28Å; P579-C581 VanDerWaalsContact O-SG 3.36Å; C581-Y583 HydrophobicContact CB-CD2 4.3Å; C581-Y583 HydrophobicContact CB-CE2 3.56Å
582Q88Confident89.8Confident90 Ų9031.2 Ų31.242%0.42115%0.153SC..EExtended strand (participates in β ladder)trans-94.8132169.3-173.6-179.59.300108.8N483 S509 H510N483-Q582 PolarHBondContact OD1-NE2 2.85Å; S509-Q582 WeakPolarHBondContact CA-O 3.4Å; H510-Q582 PolarHBondContact N-O 3.45Å; H510-Q582 PolarHBondContact O-N 2.84Å
583Y88.9Confident89.8Confident1 Ų131.9 Ų31.90%0.00415%0.154CC..EExtended strand (participates in β ladder)trans-110.7124.9-179.2-69.4-96.6000110V482 V507 V508 Y533 T577 A578 C581V482-Y583 PolarHBondContact N-O 3Å; V482-Y583 PolarHBondContact O-N 3.32Å; V507-Y583 HydrophobicContact CG1-CD1 4.14Å; V508-Y583 WeakPolarHBondContact O-CA 3.46Å; Y533-Y583 HydrophobicContact CE1-CE1 4.47Å; T577-Y583 HydrophobicContact CG2-CD1 3.94Å; T577-Y583 HydrophobicContact CG2-CD2 3.62Å; T577-Y583 HydrophobicContact CG2-CE1 3.73Å; T577-Y583 HydrophobicContact CG2-CE2 3.42Å; T577-Y583 VanDerWaalsContact CG2-CE2 3.42Å; T577-Y583 HydrophobicContact CG2-CG 3.89Å; T577-Y583 VanDerWaalsContact CG2-CZ 3.49Å; A578-Y583 WeakPolarHBondContact CB-OH 3.19Å; A578-Y583 PolarHBondContact N-OH 2.72Å; A578-Y583 PolarHBondContact O-OH 3.29Å; C581-Y583 HydrophobicContact CB-CD2 4.3Å; C581-Y583 HydrophobicContact CB-CE2 3.56Å
584K92.2Very high89.7Confident81 Ų8132 Ų3235%0.35216%0.155SC..EExtended strand (participates in β ladder)trans-106121.8170.4-176.5175.9179.4-179.60108.6D479 T481 V508D479-K584 WeakPolarHBondContact OD2-CE 3.29Å; D479-K584 IonicContact OD2-NZ 3.62Å; D479-K584 PolarHBondContact OD2-NZ 3.34Å; T481-K584 HydrophobicContact CG2-CB 4.24Å; T481-K584 HydrophobicContact CG2-CD 4.37Å; T481-K584 HydrophobicContact CG2-CG 3.99Å; V508-K584 PolarHBondContact N-O 2.86Å; V508-K584 PolarHBondContact O-N 2.81Å
585V93.1Very high89.6Confident1 Ų131.2 Ų31.21%0.00615%0.152CC..EExtended strand (participates in β ladder)trans-106.9123.6172.9-178.20000108.6D479 V480 I491 I505 S506 V507 L573 L575D479-V585 CarbonylContact C-O 3.49Å; D479-V585 WeakPolarHBondContact CA-O 3.46Å; V480-V585 HydrophobicContact CG1-CB 3.76Å; V480-V585 HydrophobicContact CG1-CG2 4.5Å; V480-V585 PolarHBondContact N-O 2.98Å; V480-V585 PolarHBondContact O-N 3.16Å; I491-V585 HydrophobicContact CD1-CB 3.89Å; I491-V585 HydrophobicContact CD1-CG1 4.18Å; I491-V585 HydrophobicContact CD1-CG2 3.45Å; I491-V585 VanDerWaalsContact CD1-CG2 3.45Å; I505-V585 HydrophobicContact CG2-CG1 3.78Å; S506-V585 CarbonylContact O-C 3.49Å; S506-V585 VanDerWaalsContact O-CA 3.31Å; S506-V585 WeakPolarHBondContact O-CA 3.23Å; V507-V585 HydrophobicContact CG1-CG2 4.28Å; V507-V585 HydrophobicContact CG2-CG1 4.45Å; V507-V585 HydrophobicContact CG2-CG2 4.11Å; L573-V585 HydrophobicContact CD2-CG1 4.16Å; L575-V585 HydrophobicContact CD1-CG2 3.84Å
586S94.1Very high89.6Confident7 Ų731.4 Ų31.45%0.04915%0.153CC..EExtended strand (participates in β ladder)trans-121.4122.4177.2-1770000109.6S478 D479 S506S478-S586 WeakPolarHBondContact O-CA 3.4Å; D479-S586 WeakPolarHBondContact OD1-CA 3.37Å; D479-S586 WeakPolarHBondContact OD1-CB 3.5Å; D479-S586 PolarHBondContact OD1-OG 3.08Å; S506-S586 PolarHBondContact N-O 3.41Å; S506-S586 PolarHBondContact O-N 3.42Å; S506-S586 WeakPolarHBondContact OG-CB 3.49Å; S506-S586 PolarHBondContact OG-O 3.26Å
587V94.6Very high89.6Confident1 Ų131.1 Ų31.11%0.00615%0.152CC..EExtended strand (participates in β ladder)trans-104.1121.7-180-174.30000109V467 A477 S478 L493 F503 I505V467-V587 HydrophobicContact CG1-CG1 4.26Å; A477-V587 WeakPolarHBondContact CA-O 3.44Å; S478-V587 PolarHBondContact N-O 3.35Å; S478-V587 PolarHBondContact O-N 3.01Å; L493-V587 HydrophobicContact CD2-CG2 4.1Å; F503-V587 HydrophobicContact CB-CG1 3.97Å; F503-V587 HydrophobicContact CD1-CG1 4.14Å; F503-V587 HydrophobicContact CG-CG1 4.08Å; I505-V587 HydrophobicContact CG1-CG1 4.33Å; I505-V587 HydrophobicContact CG1-CG2 4.36Å; I505-V587 HydrophobicContact CG2-CG2 4.5Å
588R94.3Very high89.6Confident128 Ų12831.3 Ų31.348%0.48315%0.153SC..EExtended strand (participates in β ladder)trans-127.1142.5178.3-64.1-176.1-175.8-174.2-3.1111.4A477 F503 R504A477-R588 HydrophobicContact CB-CG 3.66Å; F503-R588 CarbonylContact C-O 3.53Å; F503-R588 VanDerWaalsContact CA-O 3.26Å; F503-R588 WeakPolarHBondContact CA-O 3.33Å; R504-R588 PolarHBondContact N-O 3.05Å; R504-R588 PolarHBondContact O-N 2.88Å
589T92.8Very high89.9Confident8 Ų831.9 Ų31.95%0.04916%0.156CC..EExtended strand (participates in β ladder)trans-69.1137172.5-55.90000110.7H469 S472 G474 V594H469-T589 PolarHBondContact O-OG1 3.02Å; S472-T589 PolarHBondContact OG-OG1 3.42Å; G474-T589 VanDerWaalsContact CA-O 3.31Å; G474-T589 WeakPolarHBondContact CA-O 3.47Å; T589-V594 HydrophobicContact CG2-CG2 4.05Å
590S92.4Very high90.3Very high21 Ų2132.3 Ų32.315%0.14716%0.155CC..  trans-112.291.2177.5176.90000110.6A502 K593 V594A502-S590 PolarHBondContact O-N 3.03Å; S590-K593 PolarHBondContact O-N 3.32Å; S590-K593 WeakPolarHBondContact OG-CG 3.42Å; S590-V594 WeakPolarHBondContact O-CG2 3.21Å; S590-V594 PolarHBondContact O-N 3.15Å
591F91Very high90.6Very high69 Ų6928.4 Ų28.430%0.30313%0.133SC..Hα-helixtrans-54.1-42.8-175.3-178.1-106.7000114.9L15 F473 K593 V594 L595L15-F591 HydrophobicContact CD2-CE1 3.91Å; L15-F591 HydrophobicContact CD2-CZ 4.3Å; F473-F591 HydrophobicContact CD1-CB 4.38Å; F473-F591 AromaticContact CD1-CD2 3.54Å; F473-F591 HydrophobicContact CD1-CD2 3.54Å; F473-F591 AromaticContact CD1-CE2 3.91Å; F473-F591 HydrophobicContact CD1-CE2 3.91Å; F473-F591 AromaticContact CD1-CG 3.93Å; F473-F591 HydrophobicContact CD1-CG 3.93Å; F473-F591 AromaticContact CE1-CD2 3.67Å; F473-F591 HydrophobicContact CE1-CD2 3.67Å; F473-F591 AromaticContact CE1-CE2 3.55Å; F473-F591 HydrophobicContact CE1-CE2 3.55Å; F473-F591 HydrophobicContact CE1-CG 4.42Å; F473-F591 HydrophobicContact CE1-CZ 4.22Å; F591-K593 VanDerWaalsContact C-N 3.34Å; F591-K593 PolarHBondContact O-N 3.19Å; F591-V594 WeakPolarHBondContact O-CB 3.48Å; F591-V594 PolarHBondContact O-N 3.3Å; F591-L595 PolarHBondContact O-N 2.98Å
592P92Very high90.7Very high47 Ų4728.5 Ų28.531%0.30513%0.134SC..Hα-helixtrans-57.2-45.9174.2-26.536000112.6V18 E22 V594 L595 G596V18-P592 HydrophobicContact CG1-CB 3.86Å; V18-P592 HydrophobicContact CG1-CG 4.39Å; E22-P592 HydrophobicContact CG-CB 3.73Å; E22-P592 WeakPolarHBondContact CG-O 3.33Å; P592-V594 PolarHBondContact O-N 3.41Å; P592-L595 WeakPolarHBondContact O-CB 3.25Å; P592-L595 PolarHBondContact O-N 3.45Å; P592-G596 PolarHBondContact O-N 2.95Å
593K91.8Very high90.5Very high51 Ų5125.3 Ų25.322%0.22213%0.125CC..Hα-helixtrans-66.4-35.4178-66.9-174.5177.6-172.10112.6A502 S590 F591 L595 G596 Q597A502-K593 HydrophobicContact CB-CB 3.58Å; S590-K593 PolarHBondContact O-N 3.32Å; S590-K593 WeakPolarHBondContact OG-CG 3.42Å; F591-K593 VanDerWaalsContact C-N 3.34Å; F591-K593 PolarHBondContact O-N 3.19Å; K593-L595 VanDerWaalsContact C-N 3.33Å; K593-G596 PolarHBondContact O-N 2.99Å; K593-Q597 WeakPolarHBondContact O-CG 3.48Å; K593-Q597 PolarHBondContact O-N 3.08Å
594V91.6Very high90.3Very high3 Ų327.1 Ų27.12%0.01814%0.137CC..Hα-helixtrans-60-46.7172.4170.80000109.7V470 A502 T589 S590 F591 P592 G596 Q597 V598V470-V594 HydrophobicContact CG1-CB 4.39Å; V470-V594 HydrophobicContact CG1-CG1 3.59Å; V470-V594 HydrophobicContact CG1-CG2 3.92Å; A502-V594 HydrophobicContact CB-CG2 3.92Å; T589-V594 HydrophobicContact CG2-CG2 4.05Å; S590-V594 WeakPolarHBondContact O-CG2 3.21Å; S590-V594 PolarHBondContact O-N 3.15Å; F591-V594 WeakPolarHBondContact O-CB 3.48Å; F591-V594 PolarHBondContact O-N 3.3Å; P592-V594 PolarHBondContact O-N 3.41Å; V594-G596 VanDerWaalsContact C-N 3.33Å; V594-G596 PolarHBondContact O-N 2.96Å; V594-Q597 PolarHBondContact O-N 2.98Å; V594-Q597 VanDerWaalsContact O-N 3.16Å; V594-V598 WeakPolarHBondContact O-CG2 3.17Å; V594-V598 PolarHBondContact O-N 3.33Å
595L91.1Very high90.1Very high5 Ų523.8 Ų23.83%0.02612%0.123CC..Hα-helixtrans-64.8-38.3178.1-16857000112.1L15 V18 F591 P592 K593 V598 L599 L703L15-L595 HydrophobicContact CB-CD2 4.05Å; L15-L595 HydrophobicContact CD2-CD2 4.39Å; L15-L595 WeakPolarHBondContact O-CD2 3.43Å; V18-L595 HydrophobicContact CB-CD2 4.47Å; F591-L595 PolarHBondContact O-N 2.98Å; P592-L595 WeakPolarHBondContact O-CB 3.25Å; P592-L595 PolarHBondContact O-N 3.45Å; K593-L595 VanDerWaalsContact C-N 3.33Å; L595-V598 PolarHBondContact O-N 3.06Å; L595-L599 WeakPolarHBondContact O-CG 3.46Å; L595-L599 PolarHBondContact O-N 3.18Å; L595-L703 HydrophobicContact CD1-CD2 4.45Å
596G91.8Very high89.9Confident3 Ų324.5 Ų24.53%0.03113%0.127CC..Hα-helixtrans-59.3-43.7170.100000112.9P592 K593 V594 L599 R600P592-G596 PolarHBondContact O-N 2.95Å; K593-G596 PolarHBondContact O-N 2.99Å; V594-G596 VanDerWaalsContact C-N 3.33Å; V594-G596 PolarHBondContact O-N 2.96Å; G596-L599 PolarHBondContact O-N 2.83Å; G596-R600 WeakPolarHBondContact O-CB 3.37Å; G596-R600 PolarHBondContact O-N 2.77Å
597Q89.1Confident89.8Confident1 Ų126.6 Ų26.61%0.00514%0.14CC..Hα-helixtrans-67.6-40.2175.5-71.3-676.400112.5A502 M559 K593 V594 L599 R600 F601A502-Q597 HydrophobicContact CB-CG 4.27Å; M559-Q597 HydrophobicContact SD-CG 4.29Å; M559-Q597 PolarHBondContact SD-NE2 2.97Å; K593-Q597 WeakPolarHBondContact O-CG 3.48Å; K593-Q597 PolarHBondContact O-N 3.08Å; V594-Q597 PolarHBondContact O-N 2.98Å; V594-Q597 VanDerWaalsContact O-N 3.16Å; Q597-L599 PolarHBondContact O-N 2.93Å; Q597-R600 WeakPolarHBondContact O-CB 3.44Å; Q597-R600 PolarHBondContact O-N 3.24Å; Q597-F601 WeakPolarHBondContact O-CD2 3.5Å; Q597-F601 PolarHBondContact O-N 3.43Å
598V88.8Confident89.6Confident4 Ų426.5 Ų26.52%0.02414%0.14CC..Hα-helixtrans-56.7-50173.5162.80000110.4V594 L595 R600 F601 C602 L700 L704V594-V598 WeakPolarHBondContact O-CG2 3.17Å; V594-V598 PolarHBondContact O-N 3.33Å; L595-V598 PolarHBondContact O-N 3.06Å; V598-R600 VanDerWaalsContact C-N 3.34Å; V598-R600 PolarHBondContact O-N 3.44Å; V598-F601 PolarHBondContact O-N 2.88Å; V598-C602 WeakPolarHBondContact O-CA 3.28Å; V598-C602 VanDerWaalsContact O-CB 3.23Å; V598-C602 WeakPolarHBondContact O-CB 3.45Å; V598-C602 PolarHBondContact O-N 3.34Å; V598-L700 HydrophobicContact CB-CD1 4.32Å; V598-L700 HydrophobicContact CG1-CD1 3.55Å; V598-L700 HydrophobicContact CG2-CD1 3.85Å; V598-L704 HydrophobicContact CG1-CD2 4.17Å
599L89.4Confident89.4Confident13 Ų1321.2 Ų21.27%0.06812%0.12CC..Hα-helixtrans-67.5-33.7177-67.2-178.5000112.6L16 G19 L23 L595 G596 Q597 G603 V606 L707L16-L599 HydrophobicContact CD1-CD1 4.04Å; L16-L599 HydrophobicContact CD1-CD2 4.04Å; G19-L599 VanDerWaalsContact C-CD1 3.44Å; L23-L599 HydrophobicContact CD2-CB 4.3Å; L595-L599 WeakPolarHBondContact O-CG 3.46Å; L595-L599 PolarHBondContact O-N 3.18Å; G596-L599 PolarHBondContact O-N 2.83Å; Q597-L599 PolarHBondContact O-N 2.93Å; L599-G603 WeakPolarHBondContact O-CA 3.41Å; L599-G603 PolarHBondContact O-N 2.96Å; L599-V606 HydrophobicContact CD2-CG2 4.27Å; L599-L707 HydrophobicContact CD2-CD1 4.22Å
600R87.5Confident89.4Confident25 Ų2521.6 Ų21.69%0.09412%0.122CC..Hα-helixtrans-60.4-46.7175.6-173.6172.4-75.1144.3-6.2111.7L23 R246 G596 Q597 V598L23-R600 HydrophobicContact CD1-CB 3.72Å; L23-R600 HydrophobicContact CD1-CG 4.02Å; R246-R600 VanDerWaalsContact CD-O 3.3Å; R246-R600 WeakPolarHBondContact CD-O 3.39Å; R246-R600 HydrophobicContact CG-CG 3.95Å; G596-R600 WeakPolarHBondContact O-CB 3.37Å; G596-R600 PolarHBondContact O-N 2.77Å; Q597-R600 WeakPolarHBondContact O-CB 3.44Å; Q597-R600 PolarHBondContact O-N 3.24Å; V598-R600 VanDerWaalsContact C-N 3.34Å; V598-R600 PolarHBondContact O-N 3.44Å
601F85.3Confident89.4Confident29 Ų2920.6 Ų20.613%0.12712%0.115CC..Hα-helixtrans-90-31.2-174.2-78-92.6000113.6R246 V499 H561 Q597 V598R246-F601 VanDerWaalsContact NH1-CE1 3.29Å; V499-F601 HydrophobicContact CB-CD1 4.02Å; V499-F601 HydrophobicContact CB-CD2 4.04Å; V499-F601 HydrophobicContact CB-CE1 3.68Å; V499-F601 HydrophobicContact CB-CE2 3.68Å; V499-F601 HydrophobicContact CB-CG 4.22Å; V499-F601 HydrophobicContact CB-CZ 3.5Å; V499-F601 HydrophobicContact CG1-CD1 4.42Å; V499-F601 HydrophobicContact CG1-CE1 3.7Å; V499-F601 HydrophobicContact CG1-CE2 4.32Å; V499-F601 HydrophobicContact CG1-CZ 3.65Å; V499-F601 HydrophobicContact CG2-CD1 3.65Å; V499-F601 HydrophobicContact CG2-CD2 4.12Å; V499-F601 HydrophobicContact CG2-CE1 3.81Å; V499-F601 HydrophobicContact CG2-CE2 4.24Å; V499-F601 HydrophobicContact CG2-CG 3.85Å; V499-F601 HydrophobicContact CG2-CZ 4.11Å; H561-F601 WeakPolarHBondContact O-CZ 3.35Å; Q597-F601 WeakPolarHBondContact O-CD2 3.5Å; Q597-F601 PolarHBondContact O-N 3.43Å; V598-F601 PolarHBondContact O-N 2.88Å
602C85.3Confident89.5Confident11 Ų1117.3 Ų17.37%0.07410%0.101CC..Hα-helixtrans-1194.3-172.6-590000113.5V598 P604 L605 L704V598-C602 WeakPolarHBondContact O-CA 3.28Å; V598-C602 VanDerWaalsContact O-CB 3.23Å; V598-C602 WeakPolarHBondContact O-CB 3.45Å; V598-C602 PolarHBondContact O-N 3.34Å; C602-P604 VanDerWaalsContact C-N 3.32Å; C602-L605 HydrophobicContact CB-CD1 3.92Å; C602-L605 VanDerWaalsContact O-CB 3.29Å; C602-L605 WeakPolarHBondContact O-CB 3.44Å; C602-L605 PolarHBondContact O-N 3.3Å; C602-L704 HydrophobicContact CB-CD1 3.74Å; C602-L704 HydrophobicContact CB-CD2 4.15Å
603G83.8Confident89.5Confident22 Ų2215 Ų1523%0.2279%0.086CC..THydrogen-bonded Turntrans-51.2-39.3177.900000115.2L599 L605 V606 P607L599-G603 WeakPolarHBondContact O-CA 3.41Å; L599-G603 PolarHBondContact O-N 2.96Å; G603-L605 PolarHBondContact O-N 3.14Å; G603-L605 VanDerWaalsContact O-N 3.08Å; G603-V606 WeakPolarHBondContact O-CB 3.15Å; G603-V606 PolarHBondContact O-N 3.47Å; G603-P607 WeakPolarHBondContact O-CD 3.43Å
604P84.5Confident89.6Confident39 Ų3913.3 Ų13.325%0.2538%0.079SC..THydrogen-bonded Turntrans-58.5-19.6175.7-27.136.4000114.9L204 C602 P607L204-P604 HydrophobicContact CD2-CB 4.12Å; L204-P604 HydrophobicContact CD2-CG 3.9Å; C602-P604 VanDerWaalsContact C-N 3.32Å; P604-P607 WeakPolarHBondContact O-CD 3.3Å
605L87.1Confident89.6Confident12 Ų1213.2 Ų13.26%0.0638%0.079CC..Hα-helixtrans-76.5-22.6175.7-68.4154.2000112.8C602 G603 V608 Y609 L677 L704C602-L605 HydrophobicContact CB-CD1 3.92Å; C602-L605 VanDerWaalsContact O-CB 3.29Å; C602-L605 WeakPolarHBondContact O-CB 3.44Å; C602-L605 PolarHBondContact O-N 3.3Å; G603-L605 PolarHBondContact O-N 3.14Å; G603-L605 VanDerWaalsContact O-N 3.08Å; L605-V608 WeakPolarHBondContact O-CB 3.32Å; L605-V608 PolarHBondContact O-N 2.94Å; L605-V608 VanDerWaalsContact O-N 3.15Å; L605-Y609 HydrophobicContact CB-CD2 4.14Å; L605-Y609 HydrophobicContact CB-CE2 4.09Å; L605-Y609 HydrophobicContact CD2-CE2 4.48Å; L605-Y609 VanDerWaalsContact O-CD2 3.28Å; L605-Y609 WeakPolarHBondContact O-CD2 3.5Å; L605-Y609 PolarHBondContact O-N 3.07Å; L605-L677 HydrophobicContact CD1-CD1 4.07Å; L605-L677 HydrophobicContact CD1-CD2 3.94Å; L605-L677 HydrophobicContact CD1-CG 4.09Å; L605-L704 HydrophobicContact CB-CD1 4.17Å; L605-L704 HydrophobicContact CD1-CD1 3.74Å
606V90Very high89.6Confident16 Ų1614.2 Ų14.210%0.0978%0.084CC..Hα-helixtrans-62.6-46.5-178.1177.40000111.4L599 G603 V608 Y609 T610 L704 V711L599-V606 HydrophobicContact CD2-CG2 4.27Å; G603-V606 WeakPolarHBondContact O-CB 3.15Å; G603-V606 PolarHBondContact O-N 3.47Å; V606-V608 VanDerWaalsContact C-N 3.32Å; V606-V608 PolarHBondContact O-N 3.08Å; V606-Y609 PolarHBondContact O-N 3.32Å; V606-T610 WeakPolarHBondContact O-CB 3.37Å; V606-T610 PolarHBondContact O-N 3.42Å; V606-T610 PolarHBondContact O-OG1 3.38Å; V606-L704 HydrophobicContact CG2-CD2 4.15Å; V606-V711 HydrophobicContact CG1-CG2 4.1Å
607P90.8Very high89.5Confident50 Ų5014.3 Ų14.333%0.3259%0.085SC..Hα-helixtrans-57.8-37.8170.7-2734.3000114.4G603 P604 T610 S611 L920G603-P607 WeakPolarHBondContact O-CD 3.43Å; P604-P607 WeakPolarHBondContact O-CD 3.3Å; P607-T610 WeakPolarHBondContact O-CB 3.41Å; P607-T610 PolarHBondContact O-N 3.48Å; P607-S611 PolarHBondContact O-N 3.26Å; P607-S611 PolarHBondContact O-OG 2.92Å; P607-L920 HydrophobicContact CB-CD2 4.2Å
608V90.4Very high89.6Confident0 Ų014.4 Ų14.40%09%0.086CC..Hα-helixtrans-63.5-51.7177.5-176.50000110L605 V606 T610 S611 V612 S916 L920 I923L605-V608 WeakPolarHBondContact O-CB 3.32Å; L605-V608 PolarHBondContact O-N 2.94Å; L605-V608 VanDerWaalsContact O-N 3.15Å; V606-V608 VanDerWaalsContact C-N 3.32Å; V606-V608 PolarHBondContact O-N 3.08Å; V608-T610 VanDerWaalsContact C-N 3.28Å; V608-T610 PolarHBondContact O-N 3.3Å; V608-S611 WeakPolarHBondContact O-CA 3.2Å; V608-S611 VanDerWaalsContact O-CB 3.29Å; V608-S611 WeakPolarHBondContact O-CB 3.35Å; V608-S611 PolarHBondContact O-N 2.87Å; V608-S611 VanDerWaalsContact O-N 3.08Å; V608-V612 WeakPolarHBondContact O-CG2 3.28Å; V608-V612 PolarHBondContact O-N 3.2Å; V608-S916 WeakPolarHBondContact CG2-O 3.4Å; V608-L920 HydrophobicContact CG2-CD2 3.6Å; V608-I923 HydrophobicContact CG2-CD1 4.22Å
609Y91.4Very high89.6Confident17 Ų1714.6 Ų14.67%0.0679%0.088CC..Hα-helixtrans-66.7-29.3178.1-75.3-58.4000113.3L605 V606 S611 V612 A613 L704 Y705 A913L605-Y609 HydrophobicContact CB-CD2 4.14Å; L605-Y609 HydrophobicContact CB-CE2 4.09Å; L605-Y609 HydrophobicContact CD2-CE2 4.48Å; L605-Y609 VanDerWaalsContact O-CD2 3.28Å; L605-Y609 WeakPolarHBondContact O-CD2 3.5Å; L605-Y609 PolarHBondContact O-N 3.07Å; V606-Y609 PolarHBondContact O-N 3.32Å; Y609-S611 VanDerWaalsContact C-N 3.35Å; Y609-V612 PolarHBondContact O-N 3.41Å; Y609-A613 WeakPolarHBondContact O-CB 3.43Å; Y609-A613 PolarHBondContact O-N 3.39Å; Y609-L704 HydrophobicContact CD2-CB 3.78Å; Y609-L704 HydrophobicContact CE2-CB 3.73Å; Y609-Y705 AromaticContact CD1-CD2 3.57Å; Y609-Y705 HydrophobicContact CD1-CD2 3.57Å; Y609-Y705 HydrophobicContact CD1-CG 4.13Å; Y609-Y705 HydrophobicContact CE1-CD2 4.32Å; Y609-Y705 HydrophobicContact CG-CD2 4.14Å; Y609-A913 HydrophobicContact CE1-CB 4.3Å
610T92.8Very high89.5Confident15 Ų1515.7 Ų15.79%0.09210%0.103CC..Hα-helixtrans-62.3-45.4170.3-55.90000110.3V606 P607 V608 A613 L614 G708 V711 A712V606-T610 WeakPolarHBondContact O-CB 3.37Å; V606-T610 PolarHBondContact O-N 3.42Å; V606-T610 PolarHBondContact O-OG1 3.38Å; P607-T610 WeakPolarHBondContact O-CB 3.41Å; P607-T610 PolarHBondContact O-N 3.48Å; V608-T610 VanDerWaalsContact C-N 3.28Å; V608-T610 PolarHBondContact O-N 3.3Å; T610-A613 PolarHBondContact O-N 3.21Å; T610-L614 HydrophobicContact CG2-CD1 4.39Å; T610-L614 WeakPolarHBondContact O-CG 3.31Å; T610-L614 PolarHBondContact O-N 2.93Å; T610-G708 WeakPolarHBondContact CA-O 3.47Å; T610-G708 PolarHBondContact OG1-O 3.42Å; T610-V711 HydrophobicContact CG2-CB 4.19Å; T610-V711 HydrophobicContact CG2-CG1 3.85Å; T610-A712 HydrophobicContact CG2-CB 4.03Å
611S93.1Very high89.6Confident0 Ų014.6 Ų14.60%010%0.098CC..Hα-helixtrans-63.2-41.8176.7-50.10000111.6P607 V608 Y609 L614 L615 L843 M912P607-S611 PolarHBondContact O-N 3.26Å; P607-S611 PolarHBondContact O-OG 2.92Å; V608-S611 WeakPolarHBondContact O-CA 3.2Å; V608-S611 VanDerWaalsContact O-CB 3.29Å; V608-S611 WeakPolarHBondContact O-CB 3.35Å; V608-S611 PolarHBondContact O-N 2.87Å; V608-S611 VanDerWaalsContact O-N 3.08Å; Y609-S611 VanDerWaalsContact C-N 3.35Å; S611-L614 PolarHBondContact O-N 2.82Å; S611-L615 WeakPolarHBondContact O-CB 3.49Å; S611-L615 PolarHBondContact O-N 3.44Å; S611-L843 WeakPolarHBondContact OG-CD2 3.36Å; S611-M912 VanDerWaalsContact C-CE 3.46Å
612V92.3Very high89.8Confident0 Ų013.2 Ų13.20%09%0.093CC..Hα-helixtrans-59.9-48.5174.71690000110.9V608 Y609 L614 L615 L616 V647 Y705 A909 M912 A913V608-V612 WeakPolarHBondContact O-CG2 3.28Å; V608-V612 PolarHBondContact O-N 3.2Å; Y609-V612 PolarHBondContact O-N 3.41Å; V612-L614 PolarHBondContact O-N 3.4Å; V612-L615 PolarHBondContact O-N 3.38Å; V612-L616 HydrophobicContact CG1-CD1 3.9Å; V612-L616 HydrophobicContact CG1-CG 4.45Å; V612-L616 WeakPolarHBondContact O-CG 3.49Å; V612-L616 PolarHBondContact O-N 3.29Å; V612-V647 HydrophobicContact CG1-CG1 4.38Å; V612-Y705 HydrophobicContact CG1-CE2 3.94Å; V612-A909 HydrophobicContact CG1-CB 3.93Å; V612-M912 VanDerWaalsContact CA-CE 3.49Å; V612-M912 HydrophobicContact CB-CE 4.13Å; V612-M912 HydrophobicContact CG2-CE 3.52Å; V612-M912 VanDerWaalsContact N-CE 3.32Å; V612-A913 HydrophobicContact CG2-CB 4.14Å
613A92.3Very high90Very high0 Ų015.4 Ų15.40%011%0.108CC..Hα-helixtrans-62.4-41.8-179.900000112Y609 T610 A617 A709 A712Y609-A613 WeakPolarHBondContact O-CB 3.43Å; Y609-A613 PolarHBondContact O-N 3.39Å; T610-A613 PolarHBondContact O-N 3.21Å; A613-A617 WeakPolarHBondContact O-CB 3.5Å; A613-A617 PolarHBondContact O-N 2.96Å; A613-A709 HydrophobicContact CB-CB 4.05Å; A613-A712 HydrophobicContact CB-CB 3.92Å
614L92.5Very high90.3Very high14 Ų1415.8 Ų15.87%0.07311%0.107CC..Hα-helixtrans-65.8-39.2175.5-68.5174.4000112.2T610 S611 V612 A617 C618 A712 L840T610-L614 HydrophobicContact CG2-CD1 4.39Å; T610-L614 WeakPolarHBondContact O-CG 3.31Å; T610-L614 PolarHBondContact O-N 2.93Å; S611-L614 PolarHBondContact O-N 2.82Å; V612-L614 PolarHBondContact O-N 3.4Å; L614-A617 PolarHBondContact O-N 3.28Å; L614-C618 PolarHBondContact O-N 2.95Å; L614-A712 HydrophobicContact CD2-CB 3.83Å; L614-A712 HydrophobicContact CG-CB 3.88Å; L614-L840 HydrophobicContact CB-CD2 3.71Å
615L92.3Very high90.5Very high1 Ų114 Ų141%0.00510%0.095CC..Hα-helixtrans-64.9-43.6177.8-169.761.5000111.6S611 V612 C618 G619 P905 L908 A909 M912 L927 V930S611-L615 WeakPolarHBondContact O-CB 3.49Å; S611-L615 PolarHBondContact O-N 3.44Å; V612-L615 PolarHBondContact O-N 3.38Å; L615-C618 WeakPolarHBondContact O-CB 3.36Å; L615-C618 PolarHBondContact O-N 3.38Å; L615-G619 PolarHBondContact O-N 2.89Å; L615-P905 HydrophobicContact CG-CB 4.2Å; L615-L908 HydrophobicContact CD2-CB 4.19Å; L615-A909 HydrophobicContact CD2-CB 4.33Å; L615-M912 HydrophobicContact CB-CE 4.43Å; L615-M912 HydrophobicContact CD2-CE 4.04Å; L615-L927 HydrophobicContact CD1-CD2 4.35Å; L615-V930 HydrophobicContact CD1-CB 4.02Å; L615-V930 HydrophobicContact CD1-CG1 4.13Å; L615-V930 HydrophobicContact CD1-CG2 3.79Å; L615-V930 HydrophobicContact CD2-CG2 4.47Å
616L91.3Very high90.5Very high26 Ų2617.4 Ų17.414%0.13611%0.113CC..Hα-helixtrans-67.4-37.3175.7-67.8172.9000112.3V612 C618 G619 G620 A641 V647 Y705 L906 A909V612-L616 HydrophobicContact CG1-CD1 3.9Å; V612-L616 HydrophobicContact CG1-CG 4.45Å; V612-L616 WeakPolarHBondContact O-CG 3.49Å; V612-L616 PolarHBondContact O-N 3.29Å; L616-C618 VanDerWaalsContact C-N 3.28Å; L616-C618 PolarHBondContact O-N 2.67Å; L616-G619 PolarHBondContact O-N 3.46Å; L616-G619 VanDerWaalsContact O-N 3.16Å; L616-G620 PolarHBondContact O-N 2.85Å; L616-A641 HydrophobicContact CB-CB 4.21Å; L616-V647 HydrophobicContact CD1-CG2 3.53Å; L616-Y705 WeakPolarHBondContact CD1-OH 3.03Å; L616-L906 HydrophobicContact CD2-CB 4.4Å; L616-L906 HydrophobicContact CD2-CD1 3.83Å; L616-A909 HydrophobicContact CD1-CB 4.38Å; L616-A909 HydrophobicContact CD2-CB 3.78Å; L616-A909 HydrophobicContact CG-CB 3.94Å
617A90.6Very high90.4Very high6 Ų621.1 Ų21.15%0.0515%0.146CC..Hα-helixtrans-60.6-39.6172.700000111.4A613 L614 G620 Q621 V638 A641A613-A617 WeakPolarHBondContact O-CB 3.5Å; A613-A617 PolarHBondContact O-N 2.96Å; L614-A617 PolarHBondContact O-N 3.28Å; A617-G620 PolarHBondContact O-N 3.15Å; A617-Q621 WeakPolarHBondContact O-CG 3.33Å; A617-Q621 PolarHBondContact O-N 2.93Å; A617-V638 HydrophobicContact CB-CB 4.28Å; A617-V638 HydrophobicContact CB-CG2 3.65Å; A617-A641 HydrophobicContact CB-CB 4.36Å
618C90.4Very high90.1Very high3 Ų322.1 Ų22.12%0.0215%0.154CC..Hα-helixtrans-63.5-44172.1-178.20000111.8L614 L615 L616 G620 Q621 L622 L840L614-C618 PolarHBondContact O-N 2.95Å; L615-C618 WeakPolarHBondContact O-CB 3.36Å; L615-C618 PolarHBondContact O-N 3.38Å; L616-C618 VanDerWaalsContact C-N 3.28Å; L616-C618 PolarHBondContact O-N 2.67Å; C618-G620 VanDerWaalsContact C-N 3.32Å; C618-G620 PolarHBondContact O-N 3.13Å; C618-Q621 WeakPolarHBondContact O-CB 3.43Å; C618-Q621 PolarHBondContact O-N 3.14Å; C618-Q621 VanDerWaalsContact O-N 3.1Å; C618-L622 WeakPolarHBondContact O-CG 3.29Å; C618-L622 PolarHBondContact O-N 3.22Å; C618-L840 HydrophobicContact CB-CD1 3.56Å
619G88.6Confident89.6Confident7 Ų723.7 Ų23.77%0.07217%0.17CC..Hα-helixtrans-55.4-45.4172.100000113L615 L616 Q621 L622 S623L615-G619 PolarHBondContact O-N 2.89Å; L616-G619 PolarHBondContact O-N 3.46Å; L616-G619 VanDerWaalsContact O-N 3.16Å; G619-Q621 VanDerWaalsContact C-N 3.34Å; G619-Q621 PolarHBondContact O-N 3.33Å; G619-L622 PolarHBondContact O-N 3.29Å; G619-S623 PolarHBondContact O-N 3.32Å; G619-S623 PolarHBondContact O-OG 3.46Å; G619-S623 VanDerWaalsContact O-OG 3.14Å
620G88.2Confident89.4Confident37 Ų3730 Ų3038%0.38119%0.194SC..Hα-helixtrans-61-38.3174.500000113.6L616 A617 C618 S623 S624L616-G620 PolarHBondContact O-N 2.85Å; A617-G620 PolarHBondContact O-N 3.15Å; C618-G620 VanDerWaalsContact C-N 3.32Å; C618-G620 PolarHBondContact O-N 3.13Å; G620-S623 PolarHBondContact O-N 3.46Å; G620-S624 WeakPolarHBondContact O-CB 3.37Å; G620-S624 PolarHBondContact O-N 2.95Å
621Q89.4Confident89Confident1 Ų129.8 Ų29.81%0.00519%0.194CC..Hα-helixtrans-62.5-45.7172.8-73-70.7-17.600111.8A617 C618 G619 S624 I625 A632 A637A617-Q621 WeakPolarHBondContact O-CG 3.33Å; A617-Q621 PolarHBondContact O-N 2.93Å; C618-Q621 WeakPolarHBondContact O-CB 3.43Å; C618-Q621 PolarHBondContact O-N 3.14Å; C618-Q621 VanDerWaalsContact O-N 3.1Å; G619-Q621 VanDerWaalsContact C-N 3.34Å; G619-Q621 PolarHBondContact O-N 3.33Å; Q621-S624 PolarHBondContact O-N 2.73Å; Q621-I625 WeakPolarHBondContact O-CG1 3.37Å; Q621-I625 PolarHBondContact O-N 2.91Å; Q621-A632 PolarHBondContact NE2-O 3.31Å; Q621-A632 PolarHBondContact OE1-O 2.68Å; Q621-A637 HydrophobicContact CG-CB 3.93Å
622L89.6Confident88.6Confident1 Ų130.9 Ų30.91%0.00520%0.203CC..Hα-helixtrans-62.9-43.4177.8-61.7178.5000111.7C618 G619 I625 L626 L892 L898 V901 L934C618-L622 WeakPolarHBondContact O-CG 3.29Å; C618-L622 PolarHBondContact O-N 3.22Å; G619-L622 PolarHBondContact O-N 3.29Å; L622-I625 PolarHBondContact O-N 2.92Å; L622-L626 WeakPolarHBondContact O-CB 3.39Å; L622-L626 PolarHBondContact O-N 3.36Å; L622-L892 HydrophobicContact CD2-CD2 3.56Å; L622-L898 HydrophobicContact CB-CD1 4.24Å; L622-L898 HydrophobicContact CD2-CD1 4.03Å; L622-V901 HydrophobicContact CD1-CG1 4.23Å; L622-L934 HydrophobicContact CD1-CD1 4.17Å; L622-L934 HydrophobicContact CD2-CD1 3.49Å; L622-L934 VanDerWaalsContact CD2-CD1 3.49Å; L622-L934 HydrophobicContact CG-CD1 4.49Å
623S88.9Confident88.2Confident57 Ų5732.1 Ų32.140%0.39921%0.21SC..Hα-helixtrans-65-37176.2-57.50000112.6G619 G620 L626 A627G619-S623 PolarHBondContact O-N 3.32Å; G619-S623 PolarHBondContact O-OG 3.46Å; G619-S623 VanDerWaalsContact O-OG 3.14Å; G620-S623 PolarHBondContact O-N 3.46Å; S623-L626 PolarHBondContact O-N 2.91Å; S623-A627 WeakPolarHBondContact O-CB 3.06Å; S623-A627 PolarHBondContact O-N 2.85Å
624S89.8Confident87.6Confident30 Ų3032.3 Ų32.321%0.2121%0.21CC..Hα-helixtrans-62.2-44.6174.3-177.70000111.6G620 Q621 L626 A627 S628 R630G620-S624 WeakPolarHBondContact O-CB 3.37Å; G620-S624 PolarHBondContact O-N 2.95Å; Q621-S624 PolarHBondContact O-N 2.73Å; S624-L626 VanDerWaalsContact C-N 3.35Å; S624-A627 PolarHBondContact O-N 3.35Å; S624-S628 PolarHBondContact O-N 3.08Å; S624-S628 PolarHBondContact O-OG 3.23Å; S624-R630 CarbonylContact C-O 3.27Å; S624-R630 VanDerWaalsContact C-O 3.27Å; S624-R630 PolarHBondContact OG-O 3.02Å
625I88.3Confident86.9Confident1 Ų133.5 Ų33.51%0.00522%0.22CC..Hα-helixtrans-65.5-40.4177.8-65.8166.1000110.4Q621 L622 G629 R630 A631 L833 T889 L892 L898Q621-I625 WeakPolarHBondContact O-CG1 3.37Å; Q621-I625 PolarHBondContact O-N 2.91Å; L622-I625 PolarHBondContact O-N 2.92Å; I625-G629 WeakPolarHBondContact O-CA 3.34Å; I625-G629 PolarHBondContact O-N 3.32Å; I625-R630 PolarHBondContact N-O 3.47Å; I625-A631 HydrophobicContact CG1-CB 4.44Å; I625-L833 HydrophobicContact CD1-CD1 4.02Å; I625-L833 HydrophobicContact CD1-CD2 4.48Å; I625-T889 HydrophobicContact CD1-CG2 4.28Å; I625-L892 HydrophobicContact CD1-CD2 3.88Å; I625-L892 HydrophobicContact CG2-CB 4.33Å; I625-L892 HydrophobicContact CG2-CD2 4.35Å; I625-L898 HydrophobicContact CG2-CD2 4.24Å
626L87.5Confident86.4Confident84 Ų8437.7 Ų37.744%0.4424%0.24SC..Hα-helixtrans-62.7-44.6176.4-172.480.3000112.2L622 S623 S624 L898 P899L622-L626 WeakPolarHBondContact O-CB 3.39Å; L622-L626 PolarHBondContact O-N 3.36Å; S623-L626 PolarHBondContact O-N 2.91Å; S624-L626 VanDerWaalsContact C-N 3.35Å; L626-L898 HydrophobicContact CB-CD2 4.21Å; L626-L898 HydrophobicContact CD1-CB 4.41Å; L626-L898 HydrophobicContact CD1-CD2 3.95Å; L626-L898 HydrophobicContact CD1-CG 4.01Å; L626-P899 HydrophobicContact CD1-CB 4.47Å; L626-P899 HydrophobicContact CD1-CG 3.91Å
627A87.1Confident85.9Confident94 Ų9437 Ų3778%0.77724%0.238SC*.Hα-helixtrans-80.4-36.8-173.600000113.7S623 S624S623-A627 WeakPolarHBondContact O-CB 3.06Å; S623-A627 PolarHBondContact O-N 2.85Å; S624-A627 PolarHBondContact O-N 3.35Å
628S85.7Confident85.4Confident70 Ų7036.9 Ų36.949%0.4924%0.237SC..Hα-helixtrans-121.6-6.7-169.970.70000114.5S624 R630S624-S628 PolarHBondContact O-N 3.08Å; S624-S628 PolarHBondContact O-OG 3.23Å; S628-R630 PolarHBondContact O-N 2.94Å; S628-R630 PolarHBondContact OG-N 2.99Å; S628-R630 PolarHBondContact OG-O 3.27Å
629G80.7Confident84.7Confident34 Ų3437.7 Ų37.735%0.35125%0.246SC..SBendtrans70.32.2-170.700000114.2I625I625-G629 WeakPolarHBondContact O-CA 3.34Å; I625-G629 PolarHBondContact O-N 3.32Å
630R85.2Confident84Confident148 Ų14839.3 Ų39.356%0.55826%0.262SS*.SBendtrans-122.1147.7-174-61.1-174-176-176.50112.4S624 I625 S628S624-R630 CarbonylContact C-O 3.27Å; S624-R630 VanDerWaalsContact C-O 3.27Å; S624-R630 PolarHBondContact OG-O 3.02Å; I625-R630 PolarHBondContact N-O 3.47Å; S628-R630 PolarHBondContact O-N 2.94Å; S628-R630 PolarHBondContact OG-N 2.99Å; S628-R630 PolarHBondContact OG-O 3.27Å
631A85.1Confident83.3Confident11 Ų1137.9 Ų37.99%0.09125%0.246CC..PPolyproline II helixtrans-77.6141.5173.700000110.6I625 D829 Q832 T889I625-A631 HydrophobicContact CG1-CB 4.44Å; A631-D829 HydrophobicContact CB-CB 4.13Å; A631-D829 VanDerWaalsContact CB-O 3.24Å; A631-D829 WeakPolarHBondContact CB-O 3.3Å; A631-Q832 HydrophobicContact CB-CB 3.96Å; A631-T889 HydrophobicContact CB-CG2 4.17Å
632A85.4Confident82.7Confident24 Ų2439.9 Ų39.920%0.19826%0.257CS..PPolyproline II helixtrans-78.1158.9174.500000110.2Q621 M634Q621-A632 PolarHBondContact NE2-O 3.31Å; Q621-A632 PolarHBondContact OE1-O 2.68Å; A632-M634 PolarHBondContact O-N 3.45Å
633D83.7Confident81.7Confident26 Ų2643.3 Ų43.314%0.13927%0.273CS..PPolyproline II helixtrans-63.8130.7169.6-174.938.3000109.4S635 E636 A637 R720 Q832D633-S635 PolarHBondContact O-N 3.46Å; D633-S635 VanDerWaalsContact O-N 3.13Å; D633-S635 PolarHBondContact OD2-OG 3.29Å; D633-E636 HydrophobicContact CB-CB 4.34Å; D633-E636 HydrophobicContact CB-CG 4.12Å; D633-E636 WeakPolarHBondContact O-CA 3.28Å; D633-E636 WeakPolarHBondContact O-CB 3.4Å; D633-E636 PolarHBondContact O-N 3.4Å; D633-A637 PolarHBondContact O-N 3.36Å; D633-R720 IonicContact OD1-CZ 2.72Å; D633-R720 IonicContact OD1-NH1 3.14Å; D633-R720 PolarHBondContact OD1-NH1 2.85Å; D633-R720 IonicContact OD1-NH2 2.71Å; D633-R720 PolarHBondContact OD1-NH2 2.92Å; D633-R720 IonicContact OD2-NH1 3.83Å; D633-Q832 PolarHBondContact OD1-NE2 2.82Å; D633-Q832 PolarHBondContact OD1-OE1 3.5Å
634M79.4Confident80.7Confident3 Ų343.3 Ų43.32%0.01527%0.268CS..Hα-helixtrans-54.8-36.6-177.3-170.5-166.1-176.500112.7A632 E636 A637 V638 S716 R720 L835 T839A632-M634 PolarHBondContact O-N 3.45Å; M634-E636 VanDerWaalsContact C-N 3.3Å; M634-E636 PolarHBondContact O-N 2.98Å; M634-A637 PolarHBondContact O-N 2.98Å; M634-V638 HydrophobicContact CG-CG2 4.45Å; M634-V638 WeakPolarHBondContact O-CG2 3.5Å; M634-V638 PolarHBondContact O-N 3.5Å; M634-S716 WeakPolarHBondContact CE-OG 3.42Å; M634-R720 VanDerWaalsContact CB-NH2 3.31Å; M634-L835 WeakPolarHBondContact CE-O 3.46Å; M634-L835 HydrophobicContact SD-CB 3.76Å; M634-T839 HydrophobicContact CE-CG2 3.25Å; M634-T839 VanDerWaalsContact CE-OG1 3.31Å; M634-T839 WeakPolarHBondContact CE-OG1 3.47Å
635S78.1Confident79.8Confident39 Ų3947.8 Ų47.827%0.27329%0.285SS..Hα-helixtrans-66.6-32.6177.878.90000112.7D633 G639D633-S635 PolarHBondContact O-N 3.46Å; D633-S635 VanDerWaalsContact O-N 3.13Å; D633-S635 PolarHBondContact OD2-OG 3.29Å; S635-G639 WeakPolarHBondContact O-CA 3.45Å; S635-G639 PolarHBondContact O-N 2.95Å
636E81Confident79Confident89 Ų8952 Ų5242%0.41630%0.304SS..Hα-helixtrans-76.6-39.7174.9-66-179.8158.700111.3R2 D633 M634 G639 G640R2-E636 IonicContact CZ-OE1 3.56Å; R2-E636 IonicContact NE-OE1 3.15Å; R2-E636 PolarHBondContact NE-OE1 2.83Å; R2-E636 IonicContact NH2-OE1 3.82Å; R2-E636 PolarHBondContact NH2-OE1 3.41Å; R2-E636 IonicContact NH2-OE2 3.2Å; D633-E636 HydrophobicContact CB-CB 4.34Å; D633-E636 HydrophobicContact CB-CG 4.12Å; D633-E636 WeakPolarHBondContact O-CA 3.28Å; D633-E636 WeakPolarHBondContact O-CB 3.4Å; D633-E636 PolarHBondContact O-N 3.4Å; M634-E636 VanDerWaalsContact C-N 3.3Å; M634-E636 PolarHBondContact O-N 2.98Å; E636-G639 PolarHBondContact O-N 3.13Å; E636-G640 PolarHBondContact O-N 3.33Å
637A81.8Confident78.1Confident13 Ų1348 Ų4811%0.10728%0.283CS..Hα-helixtrans-65.1-44.2176.900000112.4Q621 D633 M634 A641Q621-A637 HydrophobicContact CG-CB 3.93Å; D633-A637 PolarHBondContact O-N 3.36Å; M634-A637 PolarHBondContact O-N 2.98Å; A637-A641 PolarHBondContact O-N 3.46Å
638V79.7Confident77.3Confident3 Ų344.1 Ų44.12%0.01825%0.249CC..Hα-helixtrans-70.9-37.6174.1-179.10000110.6A617 M634 G640 A641 A712 F713A617-V638 HydrophobicContact CB-CB 4.28Å; A617-V638 HydrophobicContact CB-CG2 3.65Å; M634-V638 HydrophobicContact CG-CG2 4.45Å; M634-V638 WeakPolarHBondContact O-CG2 3.5Å; M634-V638 PolarHBondContact O-N 3.5Å; V638-G640 VanDerWaalsContact C-N 3.31Å; V638-G640 PolarHBondContact O-N 3.5Å; V638-A641 VanDerWaalsContact O-CB 3.27Å; V638-A641 WeakPolarHBondContact O-CB 3.33Å; V638-A641 PolarHBondContact O-N 2.87Å; V638-A641 VanDerWaalsContact O-N 3.15Å; V638-A712 HydrophobicContact CG1-CB 4.07Å; V638-F713 HydrophobicContact CG1-CB 3.99Å; V638-F713 HydrophobicContact CG1-CD2 4.45Å
639G74.9Confident76.6Confident20 Ų2046 Ų4621%0.20625%0.253CS..Hα-helixtrans-61.5-38.2175.400000113.2Y9 S635 E636 A641Y9-G639 PolarHBondContact OH-O 3.02Å; S635-G639 WeakPolarHBondContact O-CA 3.45Å; S635-G639 PolarHBondContact O-N 2.95Å; E636-G639 PolarHBondContact O-N 3.13Å; G639-A641 VanDerWaalsContact C-N 3.32Å
640G74.3Confident76.3Confident41 Ų4146.7 Ų46.742%0.42325%0.251SS..THydrogen-bonded Turntrans-79.8-7.817600000114.8E636 V638 L642E636-G640 PolarHBondContact O-N 3.33Å; V638-G640 VanDerWaalsContact C-N 3.31Å; V638-G640 PolarHBondContact O-N 3.5Å; G640-L642 PolarHBondContact O-N 2.83Å
641A74.8Confident75.4Confident6 Ų640.1 Ų40.15%0.0523%0.227CC..THydrogen-bonded Turntrans-69.7-17.6177.200000112.7L616 A617 A637 V638 G639 Q643 Y705L616-A641 HydrophobicContact CB-CB 4.21Å; A617-A641 HydrophobicContact CB-CB 4.36Å; A637-A641 PolarHBondContact O-N 3.46Å; V638-A641 VanDerWaalsContact O-CB 3.27Å; V638-A641 WeakPolarHBondContact O-CB 3.33Å; V638-A641 PolarHBondContact O-N 2.87Å; V638-A641 VanDerWaalsContact O-N 3.15Å; G639-A641 VanDerWaalsContact C-N 3.32Å; A641-Q643 VanDerWaalsContact C-N 3.27Å; A641-Q643 PolarHBondContact O-N 3.26Å; A641-Y705 PolarHBondContact O-OH 2.99Å
642L75.1Confident74.7Confident43 Ų4343 Ų4323%0.22524%0.236CC..  trans-74.874.8177.2-168.578.3000111.5F8 Y9 G640 L644 Y705 V706 A709F8-L642 HydrophobicContact CD1-CD2 4.37Å; F8-L642 HydrophobicContact CE1-CD2 3.51Å; F8-L642 HydrophobicContact CZ-CD2 3.81Å; Y9-L642 WeakPolarHBondContact OH-CB 3.46Å; G640-L642 PolarHBondContact O-N 2.83Å; L642-L644 HydrophobicContact CD1-CD1 4.11Å; L642-L644 HydrophobicContact CD2-CD1 4.43Å; L642-L644 HydrophobicContact CG-CD1 3.95Å; L642-Y705 HydrophobicContact CD1-CD1 4.27Å; L642-Y705 HydrophobicContact CD1-CE1 4.15Å; L642-V706 HydrophobicContact CD1-CG2 3.96Å; L642-A709 HydrophobicContact CD1-CB 4.11Å
643Q70.1Confident74.1Confident74 Ų7446.9 Ų46.935%0.34625%0.253SS..  trans-116.974.1175-67.8178.5-4.700109.3A641 H645 K646 V647A641-Q643 VanDerWaalsContact C-N 3.27Å; A641-Q643 PolarHBondContact O-N 3.26Å; Q643-H645 PolarHBondContact O-N 3.33Å; Q643-H645 VanDerWaalsContact O-N 3.08Å; Q643-K646 HydrophobicContact CB-CB 4.18Å; Q643-K646 HydrophobicContact CB-CD 4.31Å; Q643-K646 HydrophobicContact CB-CG 4.04Å; Q643-K646 PolarHBondContact O-N 2.56Å; Q643-V647 PolarHBondContact O-N 3.15Å
644L67.6Low73.4Confident56 Ų5647.6 Ų47.629%0.29326%0.257SS..Hα-helixtrans-49.3-40.6-175.5-76.3106.1000112.8L642 K646 V647 N648 P702 Y705L642-L644 HydrophobicContact CD1-CD1 4.11Å; L642-L644 HydrophobicContact CD2-CD1 4.43Å; L642-L644 HydrophobicContact CG-CD1 3.95Å; L644-K646 VanDerWaalsContact C-N 3.33Å; L644-K646 PolarHBondContact O-N 3.41Å; L644-V647 PolarHBondContact O-N 3.02Å; L644-N648 VanDerWaalsContact O-CB 3.25Å; L644-N648 WeakPolarHBondContact O-CB 3.34Å; L644-N648 PolarHBondContact O-N 2.86Å; L644-P702 HydrophobicContact CD2-CB 3.52Å; L644-P702 HydrophobicContact CD2-CG 4.25Å; L644-Y705 HydrophobicContact CD2-CD1 4.46Å; L644-Y705 HydrophobicContact CG-CD1 4.03Å; L644-Y705 HydrophobicContact CG-CE1 4.33Å
645H70.4Confident72.9Confident124 Ų12449.8 Ų49.857%0.57427%0.267SS*.Hα-helixtrans-65.1-31.3179.361.9-85.3000113.5Q643 L649Q643-H645 PolarHBondContact O-N 3.33Å; Q643-H645 VanDerWaalsContact O-N 3.08Å; H645-L649 VanDerWaalsContact O-CB 3.29Å; H645-L649 WeakPolarHBondContact O-CB 3.26Å
646K71.8Confident72.3Confident90 Ų9052.9 Ų52.939%0.39128%0.279SS..Hα-helixtrans-79.3-20.4-179.7-62.5-160.2-169.7164.70113.7Q643 L644 P650 L906Q643-K646 HydrophobicContact CB-CB 4.18Å; Q643-K646 HydrophobicContact CB-CD 4.31Å; Q643-K646 HydrophobicContact CB-CG 4.04Å; Q643-K646 PolarHBondContact O-N 2.56Å; L644-K646 VanDerWaalsContact C-N 3.33Å; L644-K646 PolarHBondContact O-N 3.41Å; K646-P650 WeakPolarHBondContact O-CD 3.41Å; K646-P650 VanDerWaalsContact O-CG 3.28Å; K646-P650 WeakPolarHBondContact O-CG 3.39Å; K646-L906 HydrophobicContact CB-CD1 4.19Å
647V68.9Low71.7Confident0 Ų053 Ų530%028%0.282CS..Hα-helixtrans-106-52.2-177.7-176.30000110.2V612 L616 Q643 L644 P650 L651V612-V647 HydrophobicContact CG1-CG1 4.38Å; L616-V647 HydrophobicContact CD1-CG2 3.53Å; Q643-V647 PolarHBondContact O-N 3.15Å; L644-V647 PolarHBondContact O-N 3.02Å; V647-P650 WeakPolarHBondContact O-CD 3.43Å; V647-L651 HydrophobicContact CG1-CD1 3.72Å; V647-L651 HydrophobicContact CG1-CG 4.35Å; V647-L651 VanDerWaalsContact O-CB 3.27Å; V647-L651 WeakPolarHBondContact O-CB 3.24Å; V647-L651 WeakPolarHBondContact O-CD1 3.41Å; V647-L651 WeakPolarHBondContact O-CG 3.46Å; V647-L651 PolarHBondContact O-N 3.46Å
648N69.9Low70.8Confident12 Ų1253.1 Ų53.16%0.06428%0.281CS..Hα-helixtrans-70.8-40.2-174-66.5-16.2000112.9L644 L651 Y652L644-N648 VanDerWaalsContact O-CB 3.25Å; L644-N648 WeakPolarHBondContact O-CB 3.34Å; L644-N648 PolarHBondContact O-N 2.86Å; N648-L651 WeakPolarHBondContact O-CB 3.35Å; N648-L651 PolarHBondContact O-N 2.85Å; N648-Y652 HydrophobicContact CB-CD2 4.41Å; N648-Y652 HydrophobicContact CB-CE2 3.98Å; N648-Y652 WeakPolarHBondContact O-CD2 3.36Å; N648-Y652 PolarHBondContact O-N 3.27Å
649L71.8Confident70.1Confident110 Ų11059.3 Ų59.358%0.57630%0.304SS*.Hα-helixtrans-64.6-48.8179.6-177.377.4000111.7H645 L651 Y652 L653H645-L649 VanDerWaalsContact O-CB 3.29Å; H645-L649 WeakPolarHBondContact O-CB 3.26Å; L649-L651 VanDerWaalsContact C-N 3.31Å; L649-L651 PolarHBondContact O-N 3.16Å; L649-Y652 PolarHBondContact O-N 3.07Å; L649-L653 HydrophobicContact CG-CD1 4.4Å; L649-L653 WeakPolarHBondContact O-CG 3.36Å; L649-L653 PolarHBondContact O-N 3.38Å
650P73.4Confident69.5Low48 Ų4862 Ų6231%0.31232%0.316SS..Hα-helixtrans-63.8-33.9172.6-26.138.7000113.4K646 V647 L653 L654 V910K646-P650 WeakPolarHBondContact O-CD 3.41Å; K646-P650 VanDerWaalsContact O-CG 3.28Å; K646-P650 WeakPolarHBondContact O-CG 3.39Å; V647-P650 WeakPolarHBondContact O-CD 3.43Å; P650-L653 PolarHBondContact O-N 3.36Å; P650-L654 WeakPolarHBondContact O-CB 3.41Å; P650-L654 PolarHBondContact O-N 3.5Å; P650-V910 HydrophobicContact CB-CG1 4.22Å; P650-V910 HydrophobicContact CB-CG2 4.08Å
651L67.3Low68.9Low10 Ų1063.3 Ų63.35%0.05231%0.313CS..Hα-helixtrans-58.7-48.3172.7-80.9172.1000111.3V647 N648 L649 L654 H655 V910 A913 T914V647-L651 HydrophobicContact CG1-CD1 3.72Å; V647-L651 HydrophobicContact CG1-CG 4.35Å; V647-L651 VanDerWaalsContact O-CB 3.27Å; V647-L651 WeakPolarHBondContact O-CB 3.24Å; V647-L651 WeakPolarHBondContact O-CD1 3.41Å; V647-L651 WeakPolarHBondContact O-CG 3.46Å; V647-L651 PolarHBondContact O-N 3.46Å; N648-L651 WeakPolarHBondContact O-CB 3.35Å; N648-L651 PolarHBondContact O-N 2.85Å; L649-L651 VanDerWaalsContact C-N 3.31Å; L649-L651 PolarHBondContact O-N 3.16Å; L651-L654 PolarHBondContact O-N 3.46Å; L651-H655 PolarHBondContact O-N 2.81Å; L651-H655 PolarHBondContact O-ND1 3.35Å; L651-V910 HydrophobicContact CD2-CG1 3.84Å; L651-V910 WeakPolarHBondContact CD2-O 3.4Å; L651-V910 HydrophobicContact CG-CG1 4.07Å; L651-A913 HydrophobicContact CD1-CB 3.97Å; L651-A913 HydrophobicContact CD2-CB 3.87Å; L651-T914 HydrophobicContact CD2-CG2 3.29Å
652Y69Low67.9Low73 Ų7367 Ų6729%0.28633%0.332SS..Hα-helixtrans-63.2-45.5178.3-70.5-59.1000111.8N648 L649 L654 H655 I656 H698N648-Y652 HydrophobicContact CB-CD2 4.41Å; N648-Y652 HydrophobicContact CB-CE2 3.98Å; N648-Y652 WeakPolarHBondContact O-CD2 3.36Å; N648-Y652 PolarHBondContact O-N 3.27Å; L649-Y652 PolarHBondContact O-N 3.07Å; Y652-L654 VanDerWaalsContact C-N 3.3Å; Y652-L654 PolarHBondContact O-N 3.24Å; Y652-H655 PolarHBondContact O-N 3Å; Y652-I656 VanDerWaalsContact O-CG1 3.29Å; Y652-I656 WeakPolarHBondContact O-CG1 3.14Å; Y652-I656 PolarHBondContact O-N 3.17Å; Y652-H698 AromaticContact CD1-CE1 3.97Å; Y652-H698 AromaticContact CD1-ND1 3.95Å; Y652-H698 AromaticContact CE1-CE1 3.6Å; Y652-H698 AromaticContact CE1-ND1 3.2Å; Y652-H698 WeakPolarHBondContact CE1-ND1 3.27Å; Y652-H698 AromaticContact CZ-ND1 3.36Å; Y652-H698 WeakPolarHBondContact OH-CA 3.46Å; Y652-H698 PolarHBondContact OH-ND1 2.96Å
653L72.5Confident66.7Low105 Ų10572.9 Ų72.955%0.5536%0.356SS..Hα-helixtrans-60.9-39.8176.1-69.5172.6000112.1L649 P650 I656 L657L649-L653 HydrophobicContact CG-CD1 4.4Å; L649-L653 WeakPolarHBondContact O-CG 3.36Å; L649-L653 PolarHBondContact O-N 3.38Å; P650-L653 PolarHBondContact O-N 3.36Å; L653-I656 PolarHBondContact O-N 2.9Å; L653-L657 VanDerWaalsContact O-CB 3.3Å; L653-L657 WeakPolarHBondContact O-CB 3.47Å; L653-L657 PolarHBondContact O-N 3.41Å
654L70.1Confident65.6Low40 Ų4075.8 Ų75.821%0.20937%0.368CS..Hα-helixtrans-65.6-44.8178.1-178.560.6000111.3P650 L651 Y652 I656 L657 L658 V910 T911 T914P650-L654 WeakPolarHBondContact O-CB 3.41Å; P650-L654 PolarHBondContact O-N 3.5Å; L651-L654 PolarHBondContact O-N 3.46Å; Y652-L654 VanDerWaalsContact C-N 3.3Å; Y652-L654 PolarHBondContact O-N 3.24Å; L654-I656 VanDerWaalsContact C-N 3.34Å; L654-I656 PolarHBondContact O-N 2.68Å; L654-L657 PolarHBondContact O-N 3.35Å; L654-L658 HydrophobicContact CD1-CD1 3.5Å; L654-L658 HydrophobicContact CD2-CD1 4.41Å; L654-L658 HydrophobicContact CG-CD1 3.6Å; L654-L658 WeakPolarHBondContact O-CB 3.2Å; L654-L658 WeakPolarHBondContact O-CD1 3.43Å; L654-L658 PolarHBondContact O-N 2.92Å; L654-V910 HydrophobicContact CD2-CG1 3.86Å; L654-T911 HydrophobicContact CD2-CG2 4.46Å; L654-T914 HydrophobicContact CD2-CG2 3.74Å; L654-T914 HydrophobicContact CG-CG2 4.43Å
655H68.2Low64.8Low50 Ų5077.9 Ų77.923%0.23139%0.387CS..Hα-helixtrans-62.7-40.6175.3-75.588.2000112L651 Y652 L658 R659 E674L651-H655 PolarHBondContact O-N 2.81Å; L651-H655 PolarHBondContact O-ND1 3.35Å; Y652-H655 PolarHBondContact O-N 3Å; H655-L658 PolarHBondContact O-N 3.49Å; H655-R659 WeakPolarHBondContact O-CB 3.36Å; H655-R659 VanDerWaalsContact O-CG 3.3Å; H655-R659 WeakPolarHBondContact O-CG 3.23Å; H655-R659 PolarHBondContact O-N 2.93Å; H655-E674 IonicContact CD2-OE1 2.7Å
656I66.7Low63.8Low103 Ų10377.9 Ų77.953%0.52840%0.399SS..Hα-helixtrans-61.9-47.1174.9-67.2165.2000109.6Y652 L653 L654 L658 R659 V660Y652-I656 VanDerWaalsContact O-CG1 3.29Å; Y652-I656 WeakPolarHBondContact O-CG1 3.14Å; Y652-I656 PolarHBondContact O-N 3.17Å; L653-I656 PolarHBondContact O-N 2.9Å; L654-I656 VanDerWaalsContact C-N 3.34Å; L654-I656 PolarHBondContact O-N 2.68Å; I656-L658 PolarHBondContact O-N 3.04Å; I656-R659 PolarHBondContact O-N 3.39Å; I656-V660 VanDerWaalsContact O-CG2 3.29Å; I656-V660 WeakPolarHBondContact O-CG2 3.44Å; I656-V660 PolarHBondContact O-N 2.93Å
657L67.2Low62.5Low91 Ų9176.4 Ų76.448%0.47640%0.4SS..Hα-helixtrans-61.8-44178.4-177.368000111.9L653 L654 V660 L661L653-L657 VanDerWaalsContact O-CB 3.3Å; L653-L657 WeakPolarHBondContact O-CB 3.47Å; L653-L657 PolarHBondContact O-N 3.41Å; L654-L657 PolarHBondContact O-N 3.35Å; L657-V660 CarbonylContact O-C 3.57Å; L657-V660 PolarHBondContact O-N 2.79Å; L657-L661 HydrophobicContact CD1-CD1 4.21Å; L657-L661 HydrophobicContact CD1-CG 4.32Å; L657-L661 HydrophobicContact CD2-CD1 4.28Å; L657-L661 HydrophobicContact CG-CD1 3.78Å; L657-L661 HydrophobicContact CG-CG 4.28Å; L657-L661 WeakPolarHBondContact O-CB 3.36Å; L657-L661 VanDerWaalsContact O-CG 3.24Å; L657-L661 WeakPolarHBondContact O-CG 3Å; L657-L661 PolarHBondContact O-N 3.1Å
658L64Low61.4Low16 Ų1685.8 Ų85.88%0.08444%0.435CS..Hα-helixtrans-66.4-38.2177.4-94.8128.6000112.1L654 H655 I656 V660 L661 L662 E674 F915L654-L658 HydrophobicContact CD1-CD1 3.5Å; L654-L658 HydrophobicContact CD2-CD1 4.41Å; L654-L658 HydrophobicContact CG-CD1 3.6Å; L654-L658 WeakPolarHBondContact O-CB 3.2Å; L654-L658 WeakPolarHBondContact O-CD1 3.43Å; L654-L658 PolarHBondContact O-N 2.92Å; H655-L658 PolarHBondContact O-N 3.49Å; I656-L658 PolarHBondContact O-N 3.04Å; L658-V660 VanDerWaalsContact C-N 3.32Å; L658-V660 PolarHBondContact O-N 2.87Å; L658-L661 PolarHBondContact O-N 3.09Å; L658-L662 VanDerWaalsContact O-CB 3.22Å; L658-L662 WeakPolarHBondContact O-CB 3.44Å; L658-L662 WeakPolarHBondContact O-CD1 3.42Å; L658-L662 VanDerWaalsContact O-CG 3.25Å; L658-L662 WeakPolarHBondContact O-CG 3.37Å; L658-L662 PolarHBondContact O-N 2.84Å; L658-E674 HydrophobicContact CB-CG 4.47Å; L658-E674 WeakPolarHBondContact CB-OE1 3.31Å; L658-E674 VanDerWaalsContact CD1-OE1 3.25Å; L658-E674 WeakPolarHBondContact CD1-OE1 3.17Å; L658-E674 HydrophobicContact CD2-CG 3.82Å; L658-E674 HydrophobicContact CG-CG 4.49Å; L658-E674 WeakPolarHBondContact CG-OE1 3.48Å; L658-F915 HydrophobicContact CD1-CZ 4.18Å; L658-F915 HydrophobicContact CD2-CZ 4.28Å
659R64.3Low60.2Low133 Ų13389.1 Ų89.150%0.50247%0.472SS..Hα-helixtrans-60.8-41.8171.2-76.2-179.6-178.6-162.94.1111.9H655 I656 F663H655-R659 WeakPolarHBondContact O-CB 3.36Å; H655-R659 VanDerWaalsContact O-CG 3.3Å; H655-R659 WeakPolarHBondContact O-CG 3.23Å; H655-R659 PolarHBondContact O-N 2.93Å; I656-R659 PolarHBondContact O-N 3.39Å; R659-F663 PolarHBondContact O-N 3.19Å
660V62.9Low59Low77 Ų7791.5 Ų91.547%0.46749%0.485SS..Hα-helixtrans-69-39.2175.8173.40000111.6I656 L657 L658 F663 F664I656-V660 VanDerWaalsContact O-CG2 3.29Å; I656-V660 WeakPolarHBondContact O-CG2 3.44Å; I656-V660 PolarHBondContact O-N 2.93Å; L657-V660 CarbonylContact O-C 3.57Å; L657-V660 PolarHBondContact O-N 2.79Å; L658-V660 VanDerWaalsContact C-N 3.32Å; L658-V660 PolarHBondContact O-N 2.87Å; V660-F663 WeakPolarHBondContact O-CB 3.43Å; V660-F663 PolarHBondContact O-N 2.78Å; V660-F664 WeakPolarHBondContact O-CD2 3.09Å; V660-F664 PolarHBondContact O-N 2.74Å
661L60.4Low57.6Low68 Ų6893.6 Ų93.636%0.35649%0.493SS..Hα-helixtrans-73.8-32.4178.3-72.5170.7000112.6L657 L658 F663 F664L657-L661 HydrophobicContact CD1-CD1 4.21Å; L657-L661 HydrophobicContact CD1-CG 4.32Å; L657-L661 HydrophobicContact CD2-CD1 4.28Å; L657-L661 HydrophobicContact CG-CD1 3.78Å; L657-L661 HydrophobicContact CG-CG 4.28Å; L657-L661 WeakPolarHBondContact O-CB 3.36Å; L657-L661 VanDerWaalsContact O-CG 3.24Å; L657-L661 WeakPolarHBondContact O-CG 3Å; L657-L661 PolarHBondContact O-N 3.1Å; L658-L661 PolarHBondContact O-N 3.09Å; L661-F663 VanDerWaalsContact C-N 3.25Å; L661-F663 PolarHBondContact O-N 2.92Å; L661-F664 CarbonylContact O-C 3.36Å; L661-F664 PolarHBondContact O-N 3.41Å
662L53.8Low56.9Low85 Ų8596.2 Ų96.245%0.44551%0.511SS..Hα-helixtrans-69.5-24.6173.1-79.1161.3000112.1L658 R668L658-L662 VanDerWaalsContact O-CB 3.22Å; L658-L662 WeakPolarHBondContact O-CB 3.44Å; L658-L662 WeakPolarHBondContact O-CD1 3.42Å; L658-L662 VanDerWaalsContact O-CG 3.25Å; L658-L662 WeakPolarHBondContact O-CG 3.37Å; L658-L662 PolarHBondContact O-N 2.84Å; L662-R668 HydrophobicContact CD2-CG 4.23Å
663F50.1Low56.1Low166 Ų16697.6 Ų97.673%0.72853%0.529SS*.Hα-helixtrans-68.9-32.7169.3-178.3-95.1000111.9R659 V660 L661 S665R659-F663 PolarHBondContact O-N 3.19Å; V660-F663 WeakPolarHBondContact O-CB 3.43Å; V660-F663 PolarHBondContact O-N 2.78Å; L661-F663 VanDerWaalsContact C-N 3.25Å; L661-F663 PolarHBondContact O-N 2.92Å; F663-S665 PolarHBondContact O-N 2.9Å
664F48.2Very low55Low135 Ų13594.2 Ų94.259%0.59251%0.51SS*.SBendtrans-90.194.1170.3-73.3-80000110.5V660 L661 C666V660-F664 WeakPolarHBondContact O-CD2 3.09Å; V660-F664 PolarHBondContact O-N 2.74Å; L661-F664 CarbonylContact O-C 3.36Å; L661-F664 PolarHBondContact O-N 3.41Å; F664-C666 PolarHBondContact O-N 3.39Å
665S50.3Low54Low99 Ų9992.6 Ų92.669%0.69250%0.501SS*.G310 helixtrans-43-9.7-175.7-63.30000119F663F663-S665 PolarHBondContact O-N 2.9Å
666C48.6Very low52.9Low125 Ų12592.8 Ų92.885%0.84551%0.506SS*.G310 helixtrans-73.3-26-175.2-1560000114.3F664F664-C666 PolarHBondContact O-N 3.39Å
667C44.1Very low51.6Low59 Ų5990.9 Ų90.940%0.39950%0.497SS..G310 helixtrans-98.33-174-67.40000115.5G669 L670C667-G669 PolarHBondContact O-N 3.08Å; C667-L670 PolarHBondContact O-N 3.37Å
668R46.8Very low50Low196 Ų19690.2 Ų90.274%0.7450%0.498SS*.THydrogen-bonded Turntrans-63.8-15.1-172.9-126.2175-179.7-174.1-0.3115L662L662-R668 HydrophobicContact CD2-CG 4.23Å
669G44.8Very low48.5Very low82 Ų8292.8 Ų92.885%0.84552%0.515SS*.THydrogen-bonded Turntrans-100.3-9.5-176.500000116.5C667C667-G669 PolarHBondContact O-N 3.08Å
670L46.1Very low47Very low161 Ų16189.5 Ų89.584%0.84351%0.51SS*.THydrogen-bonded Turntrans-103.1-20-170.8-112.3118000114.9C667C667-L670 PolarHBondContact O-N 3.37Å
671L45.2Very low45.8Very low91 Ų9189.4 Ų89.448%0.47651%0.511SS..SBendtrans-118.5144178.4-77.1104000111.7F915L671-F915 HydrophobicContact CD2-CE1 4.44Å; L671-F915 HydrophobicContact CD2-CE2 4.17Å; L671-F915 HydrophobicContact CD2-CZ 3.65Å
672P51.1Low44.9Very low66 Ų6690.9 Ų90.943%0.42953%0.525SS..PPolyproline II helixtrans-59.6149.4168.525.6-31.5000110.1E674 F915P672-E674 PolarHBondContact O-N 3.4Å; P672-F915 HydrophobicContact CG-CD1 4.1Å; P672-F915 HydrophobicContact CG-CE1 4.46Å; P672-F915 WeakPolarHBondContact O-CE1 3.29Å
673P53.4Low43.7Very low102 Ų10292 Ų9266%0.66253%0.531SS*.PPolyproline II helixtrans-57138.6178.323-32.1000110.6
674E48.4Very low42.6Very low34 Ų3493.5 Ų93.516%0.15954%0.54CS..PPolyproline II helixtrans-59.4136.5178.6-72.7-167.8135.500111.4H655 L658 P672 V676 F915H655-E674 IonicContact CD2-OE1 2.7Å; L658-E674 HydrophobicContact CB-CG 4.47Å; L658-E674 WeakPolarHBondContact CB-OE1 3.31Å; L658-E674 VanDerWaalsContact CD1-OE1 3.25Å; L658-E674 WeakPolarHBondContact CD1-OE1 3.17Å; L658-E674 HydrophobicContact CD2-CG 3.82Å; L658-E674 HydrophobicContact CG-CG 4.49Å; L658-E674 WeakPolarHBondContact CG-OE1 3.48Å; P672-E674 PolarHBondContact O-N 3.4Å; E674-V676 HydrophobicContact CB-CG2 3.99Å; E674-V676 PolarHBondContact O-N 3.47Å; E674-F915 HydrophobicContact CG-CE1 4.07Å
675D48.6Very low41.5Very low5 Ų591.2 Ų91.23%0.02755%0.546CS..  trans-83.974.3170.4-67.53.2000108.6L677 T914 S917 L918 H919 R922D675-L677 PolarHBondContact O-N 3.13Å; D675-T914 WeakPolarHBondContact CB-O 3.18Å; D675-T914 PolarHBondContact N-O 2.97Å; D675-S917 VanDerWaalsContact CB-OG 3.23Å; D675-S917 WeakPolarHBondContact CB-OG 3.24Å; D675-S917 PolarHBondContact O-OG 3.12Å; D675-S917 PolarHBondContact OD2-N 2.93Å; D675-L918 HydrophobicContact CB-CB 4.09Å; D675-L918 HydrophobicContact CB-CD1 4.28Å; D675-L918 HydrophobicContact CB-CG 4.07Å; D675-L918 PolarHBondContact OD2-N 3.33Å; D675-H919 IonicContact OD1-CE1 2.77Å; D675-H919 PolarHBondContact OD1-CE1 3.18Å; D675-H919 IonicContact OD1-CG 2.66Å; D675-H919 IonicContact OD1-ND1 2.73Å; D675-H919 PolarHBondContact OD1-ND1 2.9Å; D675-H919 IonicContact OD2-CE1 3.59Å; D675-H919 IonicContact OD2-CG 3.21Å; D675-H919 PolarHBondContact OD2-N 3.27Å; D675-H919 VanDerWaalsContact OD2-N 3.1Å; D675-H919 IonicContact OD2-ND1 2.77Å; D675-H919 PolarHBondContact OD2-ND1 2.92Å; D675-R922 IonicContact OD1-CZ 3.2Å; D675-R922 IonicContact OD1-NH1 3.13Å; D675-R922 PolarHBondContact OD1-NH1 3.26Å; D675-R922 IonicContact OD2-NH1 2.75Å
676V46.7Very low40.3Very low54 Ų5493.8 Ų93.833%0.32755%0.551SS.*  trans-74127.4170-174.10000107.6E674 L918E674-V676 HydrophobicContact CB-CG2 3.99Å; E674-V676 PolarHBondContact O-N 3.47Å; V676-L918 WeakPolarHBondContact O-CD1 3.46Å
677L38.8Very low39.4Very low64 Ų6493 Ų9334%0.33555%0.545SS..  trans-38.6117.5166.4-101.5154.7000108.2L605 D675 P679L605-L677 HydrophobicContact CD1-CD1 4.07Å; L605-L677 HydrophobicContact CD1-CD2 3.94Å; L605-L677 HydrophobicContact CD1-CG 4.09Å; D675-L677 PolarHBondContact O-N 3.13Å; L677-P679 WeakPolarHBondContact O-CD 3.16Å
678P32.6Very low38.7Very low77 Ų7797.9 Ų97.950%0.556%0.562SS.*  trans-57.3118.4-166.518.9-31.1000108.5T680P678-T680 PolarHBondContact O-N 3.47Å; P678-T680 VanDerWaalsContact O-N 3.15Å
679P33.8Very low37.8Very low69 Ų6998.3 Ų98.345%0.44856%0.564SS.*  trans-56.1121148.626.2-29.1000104.4L677 P681L677-P679 WeakPolarHBondContact O-CD 3.16Å; P679-P681 WeakPolarHBondContact O-CD 3.42Å
680T31.8Very low37Very low64 Ų6499.6 Ų99.639%0.39356%0.555SS.*  trans-53110.3170.140.90000106.8P678P678-T680 PolarHBondContact O-N 3.47Å; P678-T680 VanDerWaalsContact O-N 3.15Å
681P38.4Very low36.3Very low76 Ų7699.1 Ų99.149%0.49455%0.548SS..SBendtrans-94.5167.4-165.841.9-35.6000109.5P679P679-P681 WeakPolarHBondContact O-CD 3.42Å
682P40.7Very low35.8Very low98 Ų9899 Ų9964%0.63656%0.555SS**  cis-1177846.938.8-26.1000113.8E684P682-E684 PolarHBondContact O-N 3.23Å
683D28.8Very low35.2Very low109 Ų10996.8 Ų96.858%0.58354%0.544SS*.  trans-91.282.7159.3-76.4-24.2000108.8
684E27Very low34.8Very low198 Ų19895.9 Ų95.993%0.92553%0.531SS*.SBendtrans-110.87.3159.5-118.2179.3-171.500111.9P682P682-E684 PolarHBondContact O-N 3.23Å
685A26.5Very low34.8Very low87 Ų87101.5 Ų101.572%0.71956%0.558SS**SBendtrans-1589117300000110.9
686L24.8Very low35.1Very low152 Ų152102.8 Ų102.880%0.79656%0.562SS**  trans-165.5131.7149.7-98.3165.7000108.7
687P29.3Very low35.7Very low109 Ų109105.2 Ų105.271%0.70857%0.565SS**  trans-82.414217721.3-10.4000112.1
688E29.4Very low36.9Very low161 Ų161106.4 Ų106.475%0.75257%0.569SS**SBendtrans60.5142.5155.7-56.6-177.9154.700119.6
689W27.8Very low38.6Very low206 Ų206106.9 Ų106.978%0.7857%0.567SS**  trans82.578.1167.9-44.787.1000117.8
690V28.5Very low40.6Very low108 Ų108104.2 Ų104.266%0.65555%0.549SS*.  trans-125.983.5158.3-179.30000109.2
691E30Very low42.9Very low151 Ų151102 Ų10271%0.70654%0.537SS*.  trans-84.7-14.7178.6-73.8-174.7154.600113.7
692S35.3Very low45.1Very low89 Ų89100 Ų10062%0.62252%0.524SS*.SBendtrans-92.6-5.8-176.969.40000115.3
693G39.5Very low47.3Very low20 Ų2098 Ų9821%0.20651%0.508CS..SBendtrans-95.8-12.5-179.800000114.7
694E44.8Very low50.1Low83 Ų8392.9 Ų92.939%0.38848%0.48SS..Hα-helixtrans-83.1-39.7-171.1-64.8-162.1140.900112.8W696 R697 H698E694-W696 VanDerWaalsContact C-N 3.35Å; E694-W696 PolarHBondContact O-N 2.88Å; E694-R697 WeakPolarHBondContact O-CB 3.1Å; E694-R697 PolarHBondContact O-N 3.01Å; E694-R697 VanDerWaalsContact O-N 3.08Å; E694-H698 PolarHBondContact O-CD2 2.72Å; E694-H698 PolarHBondContact O-N 3.33Å
695E47.6Very low53.1Low152 Ų15283.4 Ų83.471%0.7144%0.436SS*.Hα-helixtrans-56.2-40.9-175.6-65.8-171.316100114.2H698 L699E695-H698 WeakPolarHBondContact O-CB 3.49Å; E695-H698 PolarHBondContact O-N 3.4Å; E695-L699 PolarHBondContact O-N 3.39Å
696W55.6Low56.2Low32 Ų3280.4 Ų80.412%0.12141%0.409CS..Hα-helixtrans-75.4-29.7179.9-173.1-102.9000113.6V470 L471 Y500 E694 H698 L699 L700V470-W696 HydrophobicContact CB-CZ3 4.49Å; V470-W696 HydrophobicContact CG1-CH2 3.89Å; V470-W696 HydrophobicContact CG1-CZ2 4.5Å; V470-W696 HydrophobicContact CG1-CZ3 4.32Å; L471-W696 HydrophobicContact CD2-CH2 4.39Å; L471-W696 HydrophobicContact CD2-CZ3 3.87Å; L471-W696 HydrophobicContact CG-CZ3 4.23Å; Y500-W696 AromaticContact CD1-CD1 3.7Å; Y500-W696 AromaticContact CD1-NE1 3.68Å; Y500-W696 HydrophobicContact CD2-CD2 4.2Å; Y500-W696 AromaticContact CD2-CE2 3.61Å; Y500-W696 HydrophobicContact CD2-CG 4.42Å; Y500-W696 AromaticContact CD2-CZ2 3.94Å; Y500-W696 HydrophobicContact CD2-CZ2 3.94Å; Y500-W696 AromaticContact CD2-NE1 3.48Å; Y500-W696 HydrophobicContact CE1-CB 4.37Å; Y500-W696 AromaticContact CE1-CD1 3.28Å; Y500-W696 AromaticContact CE1-CG 3.85Å; Y500-W696 HydrophobicContact CE1-CG 3.85Å; Y500-W696 AromaticContact CE1-NE1 3.71Å; Y500-W696 HydrophobicContact CE2-CB 4.49Å; Y500-W696 AromaticContact CE2-CD1 3.63Å; Y500-W696 AromaticContact CE2-CD2 3.59Å; Y500-W696 HydrophobicContact CE2-CD2 3.59Å; Y500-W696 AromaticContact CE2-CE2 3.5Å; Y500-W696 VanDerWaalsContact CE2-CE2 3.5Å; Y500-W696 HydrophobicContact CE2-CE3 4.26Å; Y500-W696 AromaticContact CE2-CG 3.67Å; Y500-W696 HydrophobicContact CE2-CG 3.67Å; Y500-W696 HydrophobicContact CE2-CZ2 4.11Å; Y500-W696 AromaticContact CE2-NE1 3.5Å; Y500-W696 AromaticContact CG-NE1 3.53Å; Y500-W696 AromaticContact CZ-CD1 3.2Å; Y500-W696 AromaticContact CZ-CD2 3.77Å; Y500-W696 AromaticContact CZ-CE2 3.95Å; Y500-W696 AromaticContact CZ-CG 3.3Å; Y500-W696 AromaticContact CZ-NE1 3.58Å; Y500-W696 WeakPolarHBondContact OH-CB 3.35Å; E694-W696 VanDerWaalsContact C-N 3.35Å; E694-W696 PolarHBondContact O-N 2.88Å; W696-H698 PolarHBondContact O-N 3.32Å; W696-L699 HydrophobicContact CE3-CB 4.28Å; W696-L699 HydrophobicContact CE3-CD1 3.88Å; W696-L699 HydrophobicContact CZ3-CD1 4.12Å; W696-L699 PolarHBondContact O-N 3.31Å; W696-L699 VanDerWaalsContact O-N 3.07Å; W696-L700 VanDerWaalsContact O-CB 3.28Å; W696-L700 WeakPolarHBondContact O-CB 3.36Å; W696-L700 PolarHBondContact O-N 2.94Å
697R58.8Low59.4Low105 Ų10573.2 Ų73.240%0.39637%0.371SS..Hα-helixtrans-60.3-34172.7-68.2176.1173.3167.9-2.3110.3E694 A701E694-R697 WeakPolarHBondContact O-CB 3.1Å; E694-R697 PolarHBondContact O-N 3.01Å; E694-R697 VanDerWaalsContact O-N 3.08Å; R697-A701 PolarHBondContact O-N 3.21Å
698H63.5Low62.4Low88 Ų8868 Ų6841%0.40734%0.337SS..Hα-helixtrans-70.4-27.5175.3-59.6-63.5000114.1Y652 E694 E695 W696 P702Y652-H698 AromaticContact CD1-CE1 3.97Å; Y652-H698 AromaticContact CD1-ND1 3.95Å; Y652-H698 AromaticContact CE1-CE1 3.6Å; Y652-H698 AromaticContact CE1-ND1 3.2Å; Y652-H698 WeakPolarHBondContact CE1-ND1 3.27Å; Y652-H698 AromaticContact CZ-ND1 3.36Å; Y652-H698 WeakPolarHBondContact OH-CA 3.46Å; Y652-H698 PolarHBondContact OH-ND1 2.96Å; E694-H698 PolarHBondContact O-CD2 2.72Å; E694-H698 PolarHBondContact O-N 3.33Å; E695-H698 WeakPolarHBondContact O-CB 3.49Å; E695-H698 PolarHBondContact O-N 3.4Å; W696-H698 PolarHBondContact O-N 3.32Å; H698-P702 WeakPolarHBondContact O-CD 3.45Å; H698-P702 WeakPolarHBondContact O-CG 3.34Å
699L67.9Low65.3Low87 Ų8760.3 Ų60.346%0.45530%0.301SS..Hα-helixtrans-87.2-32.5176.1-67.2172.1000112.9L471 E695 W696 L703L471-L699 HydrophobicContact CD1-CD1 4Å; E695-L699 PolarHBondContact O-N 3.39Å; W696-L699 HydrophobicContact CE3-CB 4.28Å; W696-L699 HydrophobicContact CE3-CD1 3.88Å; W696-L699 HydrophobicContact CZ3-CD1 4.12Å; W696-L699 PolarHBondContact O-N 3.31Å; W696-L699 VanDerWaalsContact O-N 3.07Å; L699-L703 PolarHBondContact O-N 3.22Å
700L77.4Confident68.4Low13 Ų1350.5 Ų50.57%0.06826%0.264CS..Hα-helixtrans-74.3-42.2-174.1-170.963.4000113.1V598 W696 L703 L704V598-L700 HydrophobicContact CB-CD1 4.32Å; V598-L700 HydrophobicContact CG1-CD1 3.55Å; V598-L700 HydrophobicContact CG2-CD1 3.85Å; W696-L700 VanDerWaalsContact O-CB 3.28Å; W696-L700 WeakPolarHBondContact O-CB 3.36Å; W696-L700 PolarHBondContact O-N 2.94Å; L700-L703 PolarHBondContact O-N 3Å; L700-L704 HydrophobicContact CD1-CD1 4.35Å; L700-L704 HydrophobicContact CD1-CG 4.38Å; L700-L704 HydrophobicContact CD2-CD1 4.47Å; L700-L704 HydrophobicContact CG-CD1 3.87Å; L700-L704 HydrophobicContact CG-CG 4.33Å; L700-L704 WeakPolarHBondContact O-CG 3.26Å; L700-L704 PolarHBondContact O-N 3.21Å
701A79.4Confident71.5Confident19 Ų1947.7 Ų47.716%0.15725%0.247CC..Hα-helixtrans-62-46.7179.600000112.8R697 L703 L704 Y705R697-A701 PolarHBondContact O-N 3.21Å; A701-L703 PolarHBondContact O-N 3.38Å; A701-L704 PolarHBondContact O-N 3.18Å; A701-Y705 WeakPolarHBondContact O-CB 3.22Å; A701-Y705 PolarHBondContact O-N 3.3Å
702P84.5Confident74.5Confident33 Ų3340.5 Ų40.521%0.21421%0.213CC..Hα-helixtrans-53.9-46.1169.7-30.537.5000114L644 H698 Y705 V706L644-P702 HydrophobicContact CD2-CB 3.52Å; L644-P702 HydrophobicContact CD2-CG 4.25Å; H698-P702 WeakPolarHBondContact O-CD 3.45Å; H698-P702 WeakPolarHBondContact O-CG 3.34Å; P702-Y705 PolarHBondContact O-N 3.42Å; P702-V706 VanDerWaalsContact O-CG2 3.31Å; P702-V706 WeakPolarHBondContact O-CG2 3.4Å; P702-V706 PolarHBondContact O-N 2.98Å
703L87Confident77.3Confident55 Ų5537.4 Ų37.429%0.28819%0.189SC..Hα-helixtrans-61.6-50.1179.4176.764.2000111.1L595 L699 L700 A701 Y705 V706 L707L595-L703 HydrophobicContact CD1-CD2 4.45Å; L699-L703 PolarHBondContact O-N 3.22Å; L700-L703 PolarHBondContact O-N 3Å; A701-L703 PolarHBondContact O-N 3.38Å; L703-Y705 VanDerWaalsContact C-N 3.28Å; L703-Y705 PolarHBondContact O-N 3Å; L703-V706 PolarHBondContact O-N 2.7Å; L703-L707 HydrophobicContact CD1-CG 4.48Å; L703-L707 HydrophobicContact CG-CD1 4.27Å; L703-L707 VanDerWaalsContact O-CG 3.3Å; L703-L707 WeakPolarHBondContact O-CG 3.39Å; L703-L707 PolarHBondContact O-N 3.36Å
704L87.8Confident79.8Confident2 Ų241.1 Ų41.11%0.0120%0.197CC..Hα-helixtrans-63.2-35.2179.1-68.3170.5000112.1V598 C602 L605 V606 Y609 L700 A701 L707 G708V598-L704 HydrophobicContact CG1-CD2 4.17Å; C602-L704 HydrophobicContact CB-CD1 3.74Å; C602-L704 HydrophobicContact CB-CD2 4.15Å; L605-L704 HydrophobicContact CB-CD1 4.17Å; L605-L704 HydrophobicContact CD1-CD1 3.74Å; V606-L704 HydrophobicContact CG2-CD2 4.15Å; Y609-L704 HydrophobicContact CD2-CB 3.78Å; Y609-L704 HydrophobicContact CE2-CB 3.73Å; L700-L704 HydrophobicContact CD1-CD1 4.35Å; L700-L704 HydrophobicContact CD1-CG 4.38Å; L700-L704 HydrophobicContact CD2-CD1 4.47Å; L700-L704 HydrophobicContact CG-CD1 3.87Å; L700-L704 HydrophobicContact CG-CG 4.33Å; L700-L704 WeakPolarHBondContact O-CG 3.26Å; L700-L704 PolarHBondContact O-N 3.21Å; A701-L704 PolarHBondContact O-N 3.18Å; L704-L707 HydrophobicContact CD2-CD1 4.49Å; L704-L707 PolarHBondContact O-N 2.86Å; L704-G708 PolarHBondContact O-N 3.49Å
705Y88.9Confident82Confident0 Ų039.3 Ų39.30%020%0.196CC..Hα-helixtrans-66.4-43.7174.2-179.1-128.3000112.2Y609 V612 L616 A641 L642 L644 A701 P702 L703 L707 G708 A709Y609-Y705 AromaticContact CD1-CD2 3.57Å; Y609-Y705 HydrophobicContact CD1-CD2 3.57Å; Y609-Y705 HydrophobicContact CD1-CG 4.13Å; Y609-Y705 HydrophobicContact CE1-CD2 4.32Å; Y609-Y705 HydrophobicContact CG-CD2 4.14Å; V612-Y705 HydrophobicContact CG1-CE2 3.94Å; L616-Y705 WeakPolarHBondContact CD1-OH 3.03Å; A641-Y705 PolarHBondContact O-OH 2.99Å; L642-Y705 HydrophobicContact CD1-CD1 4.27Å; L642-Y705 HydrophobicContact CD1-CE1 4.15Å; L644-Y705 HydrophobicContact CD2-CD1 4.46Å; L644-Y705 HydrophobicContact CG-CD1 4.03Å; L644-Y705 HydrophobicContact CG-CE1 4.33Å; A701-Y705 WeakPolarHBondContact O-CB 3.22Å; A701-Y705 PolarHBondContact O-N 3.3Å; P702-Y705 PolarHBondContact O-N 3.42Å; L703-Y705 VanDerWaalsContact C-N 3.28Å; L703-Y705 PolarHBondContact O-N 3Å; Y705-L707 VanDerWaalsContact C-N 3.32Å; Y705-L707 PolarHBondContact O-N 3.22Å; Y705-G708 PolarHBondContact O-N 2.94Å; Y705-A709 WeakPolarHBondContact O-CB 3.42Å; Y705-A709 PolarHBondContact O-N 2.85Å
706V91.5Very high84.1Confident23 Ų2332.3 Ų32.314%0.13916%0.164CC..Hα-helixtrans-58.8-44.3172.7170.50000110.6F8 A12 L642 P702 L703 A709 T710F8-V706 HydrophobicContact CE1-CG1 4.03Å; F8-V706 HydrophobicContact CZ-CG1 3.84Å; F8-V706 HydrophobicContact CZ-CG2 4.36Å; A12-V706 HydrophobicContact CB-CG1 3.94Å; L642-V706 HydrophobicContact CD1-CG2 3.96Å; P702-V706 VanDerWaalsContact O-CG2 3.31Å; P702-V706 WeakPolarHBondContact O-CG2 3.4Å; P702-V706 PolarHBondContact O-N 2.98Å; L703-V706 PolarHBondContact O-N 2.7Å; V706-A709 PolarHBondContact O-N 3.48Å; V706-T710 WeakPolarHBondContact O-CB 3.44Å; V706-T710 PolarHBondContact O-N 3.04Å; V706-T710 PolarHBondContact O-OG1 3.43Å
707L92.3Very high85.7Confident1 Ų132.7 Ų32.71%0.00517%0.174CC..Hα-helixtrans-63.5-43.6177.1-64.5174.4000111.7L16 L599 L703 L704 Y705 T710 V711L16-L707 HydrophobicContact CB-CD2 3.92Å; L16-L707 HydrophobicContact CD1-CD1 4.46Å; L16-L707 HydrophobicContact CD1-CD2 4.27Å; L599-L707 HydrophobicContact CD2-CD1 4.22Å; L703-L707 HydrophobicContact CD1-CG 4.48Å; L703-L707 HydrophobicContact CG-CD1 4.27Å; L703-L707 VanDerWaalsContact O-CG 3.3Å; L703-L707 WeakPolarHBondContact O-CG 3.39Å; L703-L707 PolarHBondContact O-N 3.36Å; L704-L707 HydrophobicContact CD2-CD1 4.49Å; L704-L707 PolarHBondContact O-N 2.86Å; Y705-L707 VanDerWaalsContact C-N 3.32Å; Y705-L707 PolarHBondContact O-N 3.22Å; L707-T710 WeakPolarHBondContact O-CB 3.42Å; L707-T710 PolarHBondContact O-N 3.44Å; L707-V711 WeakPolarHBondContact O-CG2 3.37Å; L707-V711 PolarHBondContact O-N 3.36Å
708G92.1Very high87.3Confident0 Ų032.4 Ų32.40%018%0.179CC..Hα-helixtrans-63.6-44.1175.500000113.2T610 L704 Y705 T710 V711 A712T610-G708 WeakPolarHBondContact CA-O 3.47Å; T610-G708 PolarHBondContact OG1-O 3.42Å; L704-G708 PolarHBondContact O-N 3.49Å; Y705-G708 PolarHBondContact O-N 2.94Å; G708-T710 VanDerWaalsContact C-N 3.27Å; G708-T710 PolarHBondContact O-N 3.4Å; G708-V711 PolarHBondContact O-N 3Å; G708-A712 PolarHBondContact O-N 3.28Å
709A91.9Very high88.6Confident0 Ų029 Ų290%016%0.164CC..Hα-helixtrans-62.6-35.6174.100000112Y9 A613 L642 Y705 V706 A712 F713Y9-A709 HydrophobicContact CE1-CB 4.11Å; A613-A709 HydrophobicContact CB-CB 4.05Å; L642-A709 HydrophobicContact CD1-CB 4.11Å; Y705-A709 WeakPolarHBondContact O-CB 3.42Å; Y705-A709 PolarHBondContact O-N 2.85Å; V706-A709 PolarHBondContact O-N 3.48Å; A709-A712 PolarHBondContact O-N 3.21Å; A709-F713 WeakPolarHBondContact O-CB 3.49Å; A709-F713 PolarHBondContact O-N 2.7Å
710T93.1Very high89.6Confident0 Ų026.5 Ų26.50%015%0.149CC..Hα-helixtrans-63.1-46.2173.9-58.20000111.4Y9 A12 L13 V706 L707 G708 A712 F713 W714Y9-T710 HydrophobicContact CD1-CG2 4.43Å; Y9-T710 WeakPolarHBondContact CD1-OG1 3.22Å; Y9-T710 WeakPolarHBondContact O-CG2 3.48Å; A12-T710 HydrophobicContact CB-CG2 4.11Å; A12-T710 WeakPolarHBondContact CB-OG1 3.48Å; L13-T710 HydrophobicContact CB-CG2 3.86Å; V706-T710 WeakPolarHBondContact O-CB 3.44Å; V706-T710 PolarHBondContact O-N 3.04Å; V706-T710 PolarHBondContact O-OG1 3.43Å; L707-T710 WeakPolarHBondContact O-CB 3.42Å; L707-T710 PolarHBondContact O-N 3.44Å; G708-T710 VanDerWaalsContact C-N 3.27Å; G708-T710 PolarHBondContact O-N 3.4Å; T710-A712 VanDerWaalsContact C-N 3.33Å; T710-A712 PolarHBondContact O-N 2.85Å; T710-F713 PolarHBondContact O-N 3.27Å; T710-W714 VanDerWaalsContact O-CD1 3.25Å; T710-W714 PolarHBondContact O-N 3.16Å
711V93.6Very high90.2Very high48 Ų4830.2 Ų30.229%0.29117%0.168SC..Hα-helixtrans-60.3-44.7174.6175.10000110.3L16 V606 T610 L707 G708 F713 W714 A715L16-V711 HydrophobicContact CD2-CG2 3.64Å; V606-V711 HydrophobicContact CG1-CG2 4.1Å; T610-V711 HydrophobicContact CG2-CB 4.19Å; T610-V711 HydrophobicContact CG2-CG1 3.85Å; L707-V711 WeakPolarHBondContact O-CG2 3.37Å; L707-V711 PolarHBondContact O-N 3.36Å; G708-V711 PolarHBondContact O-N 3Å; V711-F713 PolarHBondContact O-N 2.69Å; V711-W714 PolarHBondContact O-N 2.85Å; V711-A715 WeakPolarHBondContact O-CB 3.35Å; V711-A715 PolarHBondContact O-N 2.93Å
712A93Very high90.8Very high0 Ų033.9 Ų33.90%019%0.185CC..Hα-helixtrans-60-44.5177.400000112.3T610 A613 L614 V638 G708 A709 T710 S716T610-A712 HydrophobicContact CG2-CB 4.03Å; A613-A712 HydrophobicContact CB-CB 3.92Å; L614-A712 HydrophobicContact CD2-CB 3.83Å; L614-A712 HydrophobicContact CG-CB 3.88Å; V638-A712 HydrophobicContact CG1-CB 4.07Å; G708-A712 PolarHBondContact O-N 3.28Å; A709-A712 PolarHBondContact O-N 3.21Å; T710-A712 VanDerWaalsContact C-N 3.33Å; T710-A712 PolarHBondContact O-N 2.85Å; A712-S716 VanDerWaalsContact O-CB 3.26Å; A712-S716 WeakPolarHBondContact O-CB 3.44Å; A712-S716 PolarHBondContact O-N 2.99Å; A712-S716 PolarHBondContact O-OG 3.41Å
713F92.7Very high91Very high24 Ų2432.4 Ų32.411%0.10518%0.175CC..Hα-helixtrans-62.1-51.9179.2-179.5-94.8000111.8Y9 V638 A709 T710 V711 S716 A717Y9-F713 HydrophobicContact CD1-CB 4.31Å; Y9-F713 HydrophobicContact CD2-CB 4.34Å; Y9-F713 HydrophobicContact CD2-CD1 4.07Å; Y9-F713 AromaticContact CD2-CD2 3.89Å; Y9-F713 HydrophobicContact CD2-CD2 3.89Å; Y9-F713 HydrophobicContact CD2-CE1 4.36Å; Y9-F713 HydrophobicContact CD2-CE2 4.19Å; Y9-F713 AromaticContact CD2-CG 3.83Å; Y9-F713 HydrophobicContact CD2-CG 3.83Å; Y9-F713 HydrophobicContact CD2-CZ 4.41Å; Y9-F713 HydrophobicContact CE2-CD2 4.07Å; Y9-F713 HydrophobicContact CE2-CG 4.3Å; Y9-F713 HydrophobicContact CG-CB 4.21Å; Y9-F713 HydrophobicContact CG-CD1 4.04Å; Y9-F713 HydrophobicContact CG-CG 4Å; V638-F713 HydrophobicContact CG1-CB 3.99Å; V638-F713 HydrophobicContact CG1-CD2 4.45Å; A709-F713 WeakPolarHBondContact O-CB 3.49Å; A709-F713 PolarHBondContact O-N 2.7Å; T710-F713 PolarHBondContact O-N 3.27Å; V711-F713 PolarHBondContact O-N 2.69Å; F713-S716 PolarHBondContact O-N 3.05Å; F713-A717 PolarHBondContact O-N 3.39Å
714W92.1Very high91.1Very high99 Ų9935.5 Ų35.538%0.37518%0.183SC..Hα-helixtrans-71.8-35-179-73.1109000112.9Y9 L13 T710 V711 S716 A717 L718Y9-W714 PolarHBondContact O-NE1 3.43Å; Y9-W714 VanDerWaalsContact O-NE1 3.08Å; L13-W714 HydrophobicContact CD2-CD2 4.08Å; L13-W714 HydrophobicContact CD2-CG 4.15Å; L13-W714 HydrophobicContact CD2-CZ2 4.32Å; T710-W714 VanDerWaalsContact O-CD1 3.25Å; T710-W714 PolarHBondContact O-N 3.16Å; V711-W714 PolarHBondContact O-N 2.85Å; W714-S716 VanDerWaalsContact C-N 3.33Å; W714-S716 PolarHBondContact O-N 2.81Å; W714-A717 PolarHBondContact O-N 3.31Å; W714-L718 VanDerWaalsContact O-CB 3.28Å; W714-L718 WeakPolarHBondContact O-CB 3.47Å; W714-L718 PolarHBondContact O-N 2.89Å
715A91.6Very high91.2Very high45 Ų4539.4 Ų39.437%0.37220%0.203SC..Hα-helixtrans-63.3-40.1173.100000111.6V711 L718 L719V711-A715 WeakPolarHBondContact O-CB 3.35Å; V711-A715 PolarHBondContact O-N 2.93Å; A715-L718 PolarHBondContact O-N 3.3Å; A715-L719 WeakPolarHBondContact O-CB 3.36Å; A715-L719 PolarHBondContact O-N 3.4Å
716S90.7Very high91.1Very high4 Ų440.8 Ų40.83%0.02822%0.215CC..Hα-helixtrans-65.3-43.4175-61.40000112M634 A712 F713 W714 L719 R720M634-S716 WeakPolarHBondContact CE-OG 3.42Å; A712-S716 VanDerWaalsContact O-CB 3.26Å; A712-S716 WeakPolarHBondContact O-CB 3.44Å; A712-S716 PolarHBondContact O-N 2.99Å; A712-S716 PolarHBondContact O-OG 3.41Å; F713-S716 PolarHBondContact O-N 3.05Å; W714-S716 VanDerWaalsContact C-N 3.33Å; W714-S716 PolarHBondContact O-N 2.81Å; S716-L719 PolarHBondContact O-N 2.93Å; S716-R720 PolarHBondContact O-N 3.5Å
717A90.6Very high90.9Very high41 Ų4139.7 Ų39.734%0.33921%0.208SC..Hα-helixtrans-63.1-42.4174.900000111.9F713 W714 R720 L721F713-A717 PolarHBondContact O-N 3.39Å; W714-A717 PolarHBondContact O-N 3.31Å; A717-R720 PolarHBondContact O-N 2.98Å; A717-L721 PolarHBondContact O-N 2.95Å
718L91.4Very high90.6Very high98 Ų9844.7 Ų44.751%0.51323%0.234SC..Hα-helixtrans-63.8-45.4176-179.362.7000111.3W714 A715 R720 L721 L722W714-L718 VanDerWaalsContact O-CB 3.28Å; W714-L718 WeakPolarHBondContact O-CB 3.47Å; W714-L718 PolarHBondContact O-N 2.89Å; A715-L718 PolarHBondContact O-N 3.3Å; L718-R720 VanDerWaalsContact C-N 3.32Å; L718-R720 PolarHBondContact O-N 2.92Å; L718-L721 WeakPolarHBondContact O-CB 3.44Å; L718-L721 PolarHBondContact O-N 2.91Å; L718-L721 VanDerWaalsContact O-N 3.15Å; L718-L722 HydrophobicContact CD1-CD1 4.42Å; L718-L722 HydrophobicContact CD1-CG 4.28Å; L718-L722 HydrophobicContact CG-CD1 4.08Å; L718-L722 HydrophobicContact CG-CG 4.37Å; L718-L722 WeakPolarHBondContact O-CG 3.46Å; L718-L722 PolarHBondContact O-N 3.32Å
719L90.3Very high90.2Very high17 Ų1751.3 Ų51.39%0.08927%0.269CS..Hα-helixtrans-58.3-45.8176.2-178.864.6000111A715 S716 L721 L722 V723 L778 A838 T839 L842A715-L719 WeakPolarHBondContact O-CB 3.36Å; A715-L719 PolarHBondContact O-N 3.4Å; S716-L719 PolarHBondContact O-N 2.93Å; L719-L721 VanDerWaalsContact C-N 3.32Å; L719-L721 PolarHBondContact O-N 3.37Å; L719-L722 PolarHBondContact O-N 2.86Å; L719-V723 HydrophobicContact CD1-CG2 4.29Å; L719-V723 HydrophobicContact CG-CG2 4.39Å; L719-V723 WeakPolarHBondContact O-CB 3.3Å; L719-V723 VanDerWaalsContact O-CG2 3.24Å; L719-V723 WeakPolarHBondContact O-CG2 3.24Å; L719-V723 PolarHBondContact O-N 3.41Å; L719-L778 HydrophobicContact CD1-CD1 3.92Å; L719-A838 HydrophobicContact CD2-CB 4.14Å; L719-T839 HydrophobicContact CD2-CG2 3.52Å; L719-L842 HydrophobicContact CD1-CD1 3.9Å; L719-L842 HydrophobicContact CD2-CD1 4.06Å
720R89.6Confident89.8Confident35 Ų3554.1 Ų54.113%0.13228%0.284CS..Hα-helixtrans-59.7-41.9175.9-177.3-177.2-68.3-156.8-6.6111.9D633 M634 S716 A717 L718 R724D633-R720 IonicContact OD1-CZ 2.72Å; D633-R720 IonicContact OD1-NH1 3.14Å; D633-R720 PolarHBondContact OD1-NH1 2.85Å; D633-R720 IonicContact OD1-NH2 2.71Å; D633-R720 PolarHBondContact OD1-NH2 2.92Å; D633-R720 IonicContact OD2-NH1 3.83Å; M634-R720 VanDerWaalsContact CB-NH2 3.31Å; S716-R720 PolarHBondContact O-N 3.5Å; A717-R720 PolarHBondContact O-N 2.98Å; L718-R720 VanDerWaalsContact C-N 3.32Å; L718-R720 PolarHBondContact O-N 2.92Å; R720-R724 VanDerWaalsContact O-CG 3.3Å; R720-R724 WeakPolarHBondContact O-CG 3.41Å; R720-R724 PolarHBondContact O-N 3.42Å
721L91.2Very high89Confident91 Ų9156.1 Ų56.148%0.47630%0.3SS..Hα-helixtrans-63.6-47.4175.6179.564000111.3A717 L718 L719 V723 R724 L725A717-L721 PolarHBondContact O-N 2.95Å; L718-L721 WeakPolarHBondContact O-CB 3.44Å; L718-L721 PolarHBondContact O-N 2.91Å; L718-L721 VanDerWaalsContact O-N 3.15Å; L719-L721 VanDerWaalsContact C-N 3.32Å; L719-L721 PolarHBondContact O-N 3.37Å; L721-V723 PolarHBondContact O-N 2.93Å; L721-R724 WeakPolarHBondContact O-CB 3.31Å; L721-R724 PolarHBondContact O-N 3.39Å; L721-R724 VanDerWaalsContact O-N 3.16Å; L721-L725 HydrophobicContact CD1-CD1 4.34Å; L721-L725 HydrophobicContact CD1-CG 4.37Å; L721-L725 HydrophobicContact CG-CD1 4.08Å; L721-L725 HydrophobicContact CG-CG 4.49Å; L721-L725 WeakPolarHBondContact O-CG 3.28Å; L721-L725 PolarHBondContact O-N 3Å
722L90.8Very high88.3Confident95 Ų9559.2 Ų59.250%0.49732%0.321SS..Hα-helixtrans-61.6-41.7178.3-70.7174.4000111.9L718 L719 R724 L725 A726L718-L722 HydrophobicContact CD1-CD1 4.42Å; L718-L722 HydrophobicContact CD1-CG 4.28Å; L718-L722 HydrophobicContact CG-CD1 4.08Å; L718-L722 HydrophobicContact CG-CG 4.37Å; L718-L722 WeakPolarHBondContact O-CG 3.46Å; L718-L722 PolarHBondContact O-N 3.32Å; L719-L722 PolarHBondContact O-N 2.86Å; L722-R724 VanDerWaalsContact C-N 3.33Å; L722-R724 PolarHBondContact O-N 3.21Å; L722-L725 PolarHBondContact O-N 3.45Å; L722-A726 VanDerWaalsContact O-CB 3.24Å; L722-A726 WeakPolarHBondContact O-CB 3.47Å; L722-A726 PolarHBondContact O-N 3.43Å
723V89.8Confident87.4Confident2 Ų265.8 Ų65.81%0.01236%0.355CS..Hα-helixtrans-61.4-41.2174.6166.10000111.1L719 L721 S727 L778 V781 V782 Q786 L835L719-V723 HydrophobicContact CD1-CG2 4.29Å; L719-V723 HydrophobicContact CG-CG2 4.39Å; L719-V723 WeakPolarHBondContact O-CB 3.3Å; L719-V723 VanDerWaalsContact O-CG2 3.24Å; L719-V723 WeakPolarHBondContact O-CG2 3.24Å; L719-V723 PolarHBondContact O-N 3.41Å; L721-V723 PolarHBondContact O-N 2.93Å; V723-S727 WeakPolarHBondContact O-CB 3.36Å; V723-S727 PolarHBondContact O-N 3.13Å; V723-S727 PolarHBondContact O-OG 2.71Å; V723-L778 HydrophobicContact CG2-CD1 4.11Å; V723-V781 HydrophobicContact CG1-CG1 4.17Å; V723-V781 HydrophobicContact CG2-CG1 4.36Å; V723-V782 HydrophobicContact CB-CG2 4.21Å; V723-V782 HydrophobicContact CG1-CG2 4.05Å; V723-V782 HydrophobicContact CG2-CG2 3.85Å; V723-Q786 HydrophobicContact CG1-CB 3.87Å; V723-Q786 HydrophobicContact CG1-CG 3.89Å; V723-L835 HydrophobicContact CG2-CD2 4.24Å
724R89Confident86.2Confident121 Ų12169.3 Ų69.346%0.45737%0.372SS..Hα-helixtrans-65.9-43.1174-74173.9-179.6-174-0.5112.1R720 L721 L722 S727 L728 R790R720-R724 VanDerWaalsContact O-CG 3.3Å; R720-R724 WeakPolarHBondContact O-CG 3.41Å; R720-R724 PolarHBondContact O-N 3.42Å; L721-R724 WeakPolarHBondContact O-CB 3.31Å; L721-R724 PolarHBondContact O-N 3.39Å; L721-R724 VanDerWaalsContact O-N 3.16Å; L722-R724 VanDerWaalsContact C-N 3.33Å; L722-R724 PolarHBondContact O-N 3.21Å; R724-S727 WeakPolarHBondContact CA-OG 3.36Å; R724-S727 PolarHBondContact O-OG 3.35Å; R724-L728 WeakPolarHBondContact O-CG 3.35Å; R724-L728 PolarHBondContact O-N 2.94Å; R724-L728 VanDerWaalsContact O-N 3.17Å; R724-R790 VanDerWaalsContact C-NH2 3.34Å; R724-R790 VanDerWaalsContact CA-NH2 3.33Å; R724-R790 PolarHBondContact O-NH1 2.85Å; R724-R790 PolarHBondContact O-NH2 3.27Å
725L89.1Confident85.1Confident83 Ų8375.6 Ų75.644%0.43540%0.396SS..Hα-helixtrans-66.8-47178.3-69.9172.3000111.2L721 L722 S727 L728 L729L721-L725 HydrophobicContact CD1-CD1 4.34Å; L721-L725 HydrophobicContact CD1-CG 4.37Å; L721-L725 HydrophobicContact CG-CD1 4.08Å; L721-L725 HydrophobicContact CG-CG 4.49Å; L721-L725 WeakPolarHBondContact O-CG 3.28Å; L721-L725 PolarHBondContact O-N 3Å; L722-L725 PolarHBondContact O-N 3.45Å; L725-S727 VanDerWaalsContact C-N 3.31Å; L725-S727 PolarHBondContact O-N 3.34Å; L725-L728 WeakPolarHBondContact O-CB 3.33Å; L725-L728 PolarHBondContact O-N 2.75Å; L725-L729 WeakPolarHBondContact O-CG 3.29Å; L725-L729 PolarHBondContact O-N 3.46Å; L725-L729 VanDerWaalsContact O-N 3.07Å
726A87.5Confident83.7Confident29 Ų2978.1 Ų78.124%0.2441%0.408CS..Hα-helixtrans-58.8-42.6177.500000111.8L722 L728 L729 L730 V782L722-A726 VanDerWaalsContact O-CB 3.24Å; L722-A726 WeakPolarHBondContact O-CB 3.47Å; L722-A726 PolarHBondContact O-N 3.43Å; A726-L728 VanDerWaalsContact C-N 3.29Å; A726-L728 PolarHBondContact O-N 3.3Å; A726-L729 PolarHBondContact O-N 3.33Å; A726-L730 HydrophobicContact CB-CD1 4.45Å; A726-L730 WeakPolarHBondContact O-CB 3.5Å; A726-L730 WeakPolarHBondContact O-CD1 3.37Å; A726-L730 WeakPolarHBondContact O-CG 3.34Å; A726-L730 PolarHBondContact O-N 2.83Å; A726-V782 HydrophobicContact CB-CG1 3.81Å
727S86.6Confident82.4Confident0 Ų079.7 Ų79.70%042%0.419CS..Hα-helixtrans-66.4-26.3175.248.90000113.3V723 R724 L725 A731 Q786 R790V723-S727 WeakPolarHBondContact O-CB 3.36Å; V723-S727 PolarHBondContact O-N 3.13Å; V723-S727 PolarHBondContact O-OG 2.71Å; R724-S727 WeakPolarHBondContact CA-OG 3.36Å; R724-S727 PolarHBondContact O-OG 3.35Å; L725-S727 VanDerWaalsContact C-N 3.31Å; L725-S727 PolarHBondContact O-N 3.34Å; S727-A731 WeakPolarHBondContact O-CB 3.38Å; S727-A731 PolarHBondContact O-N 3.34Å; S727-Q786 WeakPolarHBondContact OG-CG 3.14Å; S727-R790 PolarHBondContact O-NH1 3.41Å; S727-R790 PolarHBondContact OG-NH1 2.89Å; S727-R790 PolarHBondContact OG-NH2 3.31Å
728L85.4Confident81.1Confident106 Ų10681.2 Ų81.256%0.55542%0.424SS*.Hα-helixtrans-70.6-44.3171.7-71.9170.9000110.6R724 L725 A726 L730 A731 R790R724-L728 WeakPolarHBondContact O-CG 3.35Å; R724-L728 PolarHBondContact O-N 2.94Å; R724-L728 VanDerWaalsContact O-N 3.17Å; L725-L728 WeakPolarHBondContact O-CB 3.33Å; L725-L728 PolarHBondContact O-N 2.75Å; A726-L728 VanDerWaalsContact C-N 3.29Å; A726-L728 PolarHBondContact O-N 3.3Å; L728-L730 PolarHBondContact O-N 2.68Å; L728-A731 PolarHBondContact O-N 2.9Å; L728-R790 VanDerWaalsContact CD2-NH1 3.33Å; L728-R790 VanDerWaalsContact CG-NH1 3.31Å
729L85.1Confident79.9Confident139 Ų13979.9 Ų79.973%0.72842%0.423SS*.Hα-helixtrans-65.6-37.6180-65.8172.1000112.5L725 A726 P732L725-L729 WeakPolarHBondContact O-CG 3.29Å; L725-L729 PolarHBondContact O-N 3.46Å; L725-L729 VanDerWaalsContact O-N 3.07Å; A726-L729 PolarHBondContact O-N 3.33Å; L729-P732 WeakPolarHBondContact O-CD 3.42Å
730L82.1Confident78.6Confident60 Ų6082.2 Ų82.231%0.31443%0.431SS..Hα-helixtrans-85.6-10.7-178.5-74153.4000113.4A726 L728 P732 L733 V782 L783A726-L730 HydrophobicContact CB-CD1 4.45Å; A726-L730 WeakPolarHBondContact O-CB 3.5Å; A726-L730 WeakPolarHBondContact O-CD1 3.37Å; A726-L730 WeakPolarHBondContact O-CG 3.34Å; A726-L730 PolarHBondContact O-N 2.83Å; L728-L730 PolarHBondContact O-N 2.68Å; L730-P732 VanDerWaalsContact C-CD 3.45Å; L730-L733 PolarHBondContact O-N 2.92Å; L730-L733 VanDerWaalsContact O-N 3.11Å; L730-V782 HydrophobicContact CD1-CG1 4Å; L730-L783 HydrophobicContact CB-CD2 3.93Å; L730-L783 HydrophobicContact CD1-CD2 3.81Å; L730-L783 HydrophobicContact CD2-CD2 4.14Å; L730-L783 HydrophobicContact CG-CD2 4.17Å
731A77.9Confident77.2Confident42 Ų4282.1 Ų82.135%0.34744%0.441SS..G310 helixtrans-57-39.6-177.900000115.2S727 L728 L733 M787S727-A731 WeakPolarHBondContact O-CB 3.38Å; S727-A731 PolarHBondContact O-N 3.34Å; L728-A731 PolarHBondContact O-N 2.9Å; A731-L733 PolarHBondContact O-N 3.2Å; A731-M787 HydrophobicContact CB-CE 3.76Å; A731-M787 HydrophobicContact CB-SD 4.25Å
732P77.9Confident75.5Confident113 Ų11379.6 Ų79.673%0.73443%0.434SS*.G310 helixtrans-68.3-21.6178-19.132.6000113.8L729 L730L729-P732 WeakPolarHBondContact O-CD 3.42Å; L730-P732 VanDerWaalsContact C-CD 3.45Å
733L73.8Confident74Confident137 Ų13776.5 Ų76.572%0.71743%0.425SS*.G310 helixtrans-97.5-1.7-170.8-63171.9000113.3L730 A731L730-L733 PolarHBondContact O-N 2.92Å; L730-L733 VanDerWaalsContact O-N 3.11Å; A731-L733 PolarHBondContact O-N 3.2Å
734H68.8Low73.1Confident98 Ų9880 Ų8045%0.45445%0.446SS..SBendtrans-134.7138.6-173.9-122.857.6000112.5
735R67.3Low72.6Confident231 Ų23176.2 Ų76.287%0.87243%0.434SS*.  trans-70.9135.4176.4-73.8-173.5179.7176.40.3110.5S737R735-S737 PolarHBondContact O-N 3.11Å
736P62.4Low72.4Confident98 Ų9882.1 Ų82.164%0.63645%0.451SS*.  trans-63.8125.9175.425.6-31.9000109.7
737S63.3Low72.1Confident37 Ų3785.7 Ų85.726%0.25947%0.465SS..  trans-105.3139.8172.357.30000109.6R735 T788R735-S737 PolarHBondContact O-N 3.11Å; S737-T788 WeakPolarHBondContact O-CG2 3.21Å; S737-T788 WeakPolarHBondContact OG-CG2 3.4Å
738V63.3Low72.1Confident73 Ų7396.3 Ų96.344%0.44251%0.505SS..  trans-110.8-6.6-175.9-1700000111.8L792 M795 L819V738-L792 HydrophobicContact CG1-CD1 4.27Å; V738-M795 HydrophobicContact CB-CE 4.25Å; V738-M795 HydrophobicContact CG1-CE 3.65Å; V738-M795 HydrophobicContact CG2-CE 3.64Å; V738-M795 HydrophobicContact CG2-SD 4.22Å; V738-L819 HydrophobicContact CG1-CD2 4.16Å
739S66.3Low72.1Confident71 Ų7194 Ų9450%0.49750%0.496SS..  trans-93.9133.2-177173.30000112.4G741 A742S739-G741 PolarHBondContact O-N 3.47Å; S739-G741 PolarHBondContact OG-N 2.93Å; S739-A742 VanDerWaalsContact O-CB 3.28Å; S739-A742 WeakPolarHBondContact O-CB 3.49Å; S739-A742 PolarHBondContact O-N 3.29Å; S739-A742 VanDerWaalsContact O-N 3.07Å
740R63.3Low72.3Confident65 Ų6589.6 Ų89.625%0.24547%0.47CS..THydrogen-bonded Turntrans-55.2-27.8170.7-173.1175.9180-169.93.7113.2E826 D830R740-E826 WeakPolarHBondContact CD-OE2 3.4Å; R740-E826 IonicContact CZ-OE2 3.98Å; R740-E826 IonicContact NE-OE2 2.86Å; R740-E826 IonicContact NH1-OE1 3.56Å; R740-E826 PolarHBondContact NH1-OE1 2.88Å; R740-E826 VanDerWaalsContact NH1-OE1 3.12Å; R740-E826 IonicContact NH1-OE2 3.02Å; R740-E826 PolarHBondContact NH1-OE2 3.31Å; R740-D830 IonicContact CZ-OD2 3.97Å; R740-D830 IonicContact NE-OD2 3.37Å; R740-D830 PolarHBondContact NE-OD2 3.21Å; R740-D830 VanDerWaalsContact NE-OD2 3.15Å; R740-D830 IonicContact NH2-OD1 2.72Å; R740-D830 IonicContact NH2-OD2 3.12Å
741G60.6Low72.5Confident34 Ų3491.8 Ų91.835%0.35148%0.481SS..THydrogen-bonded Turntrans-97.72.2179.100000115.1S739 G743 T744S739-G741 PolarHBondContact O-N 3.47Å; S739-G741 PolarHBondContact OG-N 2.93Å; G741-G743 PolarHBondContact O-N 2.91Å; G741-G743 VanDerWaalsContact O-N 3.11Å; G741-T744 PolarHBondContact O-N 2.75Å; G741-T744 PolarHBondContact O-OG1 3.26Å
742A56Low73.1Confident38 Ų3895.2 Ų95.231%0.31449%0.493SS..THydrogen-bonded Turntrans-64.4113.1-17700000111S739S739-A742 VanDerWaalsContact O-CB 3.28Å; S739-A742 WeakPolarHBondContact O-CB 3.49Å; S739-A742 PolarHBondContact O-N 3.29Å; S739-A742 VanDerWaalsContact O-N 3.07Å
743G59.2Low73.7Confident30 Ų3092.1 Ų92.131%0.30947%0.47SS..THydrogen-bonded Turntrans84.133.6-177.900000114.3G741 R784G741-G743 PolarHBondContact O-N 2.91Å; G741-G743 VanDerWaalsContact O-N 3.11Å; G743-R784 VanDerWaalsContact C-NH1 3.28Å; G743-R784 VanDerWaalsContact CA-NH1 3.34Å; G743-R784 PolarHBondContact O-NH1 2.87Å
744T71.2Confident74.6Confident76 Ų7686.3 Ų86.347%0.46644%0.442SS..PPolyproline II helixtrans-68.8130.9158.549.80000109.5G741 R746G741-T744 PolarHBondContact O-N 2.75Å; G741-T744 PolarHBondContact O-OG1 3.26Å; T744-R746 PolarHBondContact O-N 3.33Å
745L78Confident75.7Confident40 Ų4086.5 Ų86.521%0.20945%0.45CS..PPolyproline II helixtrans-78.1123.5176.5-75.9167.2000109T749 R750 L753 I885 N886L745-T749 HydrophobicContact CD2-CG2 3.97Å; L745-R750 HydrophobicContact CB-CG 3.64Å; L745-R750 PolarHBondContact O-NE 3.22Å; L745-L753 HydrophobicContact CD1-CD1 4.26Å; L745-I885 HydrophobicContact CD1-CD1 4.19Å; L745-I885 HydrophobicContact CD1-CG2 3.93Å; L745-N886 PolarHBondContact N-OD1 3.35Å; L745-N886 PolarHBondContact O-ND2 2.96Å
746R83.9Confident76.9Confident208 Ų20878.8 Ų78.879%0.78543%0.43SS*.PPolyproline II helixtrans-57.3148.4175.6-67.1-177180-177.5-0.1110.1T744 R748 T749 R750T744-R746 PolarHBondContact O-N 3.33Å; R746-R748 VanDerWaalsContact C-N 3.27Å; R746-R748 PolarHBondContact O-N 2.98Å; R746-T749 WeakPolarHBondContact O-CB 3.36Å; R746-T749 PolarHBondContact O-N 3.45Å; R746-R750 PolarHBondContact O-N 2.96Å
747L82.8Confident78.4Confident103 Ų10375.2 Ų75.254%0.53941%0.406SS..Hα-helixtrans-53.5-43.9-180-177.464.8000112.2T749 R750 L751L747-T749 VanDerWaalsContact C-N 3.34Å; L747-T749 PolarHBondContact O-N 3.41Å; L747-R750 PolarHBondContact O-N 2.89Å; L747-L751 HydrophobicContact CD1-CG 4.47Å; L747-L751 HydrophobicContact CG-CD1 4.18Å; L747-L751 WeakPolarHBondContact O-CG 3.3Å; L747-L751 PolarHBondContact O-N 3.5Å
748R84.9Confident79.7Confident223 Ų22374.5 Ų74.584%0.84240%0.402SS*.Hα-helixtrans-58-43175.8-66-175.2-177.9178.10.6112.7R746 L751 L752R746-R748 VanDerWaalsContact C-N 3.27Å; R746-R748 PolarHBondContact O-N 2.98Å; R748-L751 PolarHBondContact O-N 3.33Å; R748-L752 WeakPolarHBondContact O-CB 3.41Å; R748-L752 PolarHBondContact O-N 3.44Å
749T86.7Confident81.1Confident58 Ų5873.3 Ų73.336%0.35640%0.4SS..Hα-helixtrans-67.1-38177.4-47.70000111.8L745 R746 L747 L752 L753L745-T749 HydrophobicContact CD2-CG2 3.97Å; R746-T749 WeakPolarHBondContact O-CB 3.36Å; R746-T749 PolarHBondContact O-N 3.45Å; L747-T749 VanDerWaalsContact C-N 3.34Å; L747-T749 PolarHBondContact O-N 3.41Å; T749-L752 PolarHBondContact O-N 3.37Å; T749-L753 HydrophobicContact CG2-CD1 4.15Å; T749-L753 WeakPolarHBondContact O-CB 3.25Å; T749-L753 VanDerWaalsContact O-CG 3.3Å; T749-L753 WeakPolarHBondContact O-CG 3.22Å; T749-L753 PolarHBondContact O-N 2.83Å
750R87.9Confident82.3Confident46 Ų4671.7 Ų71.717%0.17439%0.391CS..Hα-helixtrans-65.1-45.3175.9-69-174.9-72.6170.41.3112L745 R746 L747 L753 A754 L882 N886L745-R750 HydrophobicContact CB-CG 3.64Å; L745-R750 PolarHBondContact O-NE 3.22Å; R746-R750 PolarHBondContact O-N 2.96Å; L747-R750 PolarHBondContact O-N 2.89Å; R750-L753 PolarHBondContact O-N 3.33Å; R750-A754 WeakPolarHBondContact O-CB 2.89Å; R750-A754 PolarHBondContact O-N 3.34Å; R750-L882 WeakPolarHBondContact CD-O 3.38Å; R750-N886 PolarHBondContact NE-ND2 2.96Å; R750-N886 PolarHBondContact NH1-ND2 3.48Å
751L87.2Confident83.5Confident106 Ų10668.6 Ų68.656%0.55538%0.38SS*.Hα-helixtrans-62.9-43.8176.3-69.4171.8000111.3L747 R748 A754 V755L747-L751 HydrophobicContact CD1-CG 4.47Å; L747-L751 HydrophobicContact CG-CD1 4.18Å; L747-L751 WeakPolarHBondContact O-CG 3.3Å; L747-L751 PolarHBondContact O-N 3.5Å; R748-L751 PolarHBondContact O-N 3.33Å; L751-A754 PolarHBondContact O-N 2.79Å; L751-V755 WeakPolarHBondContact O-CG2 3.42Å; L751-V755 PolarHBondContact O-N 3.18Å
752L91Very high84.8Confident114 Ų11468.8 Ų68.860%0.59738%0.375SS*.Hα-helixtrans-60-48.8175.4-168.7102.4000111.4R748 T749 A754 V755 C756R748-L752 WeakPolarHBondContact O-CB 3.41Å; R748-L752 PolarHBondContact O-N 3.44Å; T749-L752 PolarHBondContact O-N 3.37Å; L752-A754 VanDerWaalsContact C-N 3.33Å; L752-A754 PolarHBondContact O-N 3.12Å; L752-V755 PolarHBondContact O-N 2.84Å; L752-C756 WeakPolarHBondContact O-CB 3.4Å; L752-C756 PolarHBondContact O-N 3.36Å; L752-C756 PolarHBondContact O-SG 2.8Å
753L91Very high86.5Confident48 Ų4871.3 Ų71.325%0.25139%0.387SS..Hα-helixtrans-60.7-40.4176.9-76.4168.4000112.1L745 T749 R750 C756 L757 L882L745-L753 HydrophobicContact CD1-CD1 4.26Å; T749-L753 HydrophobicContact CG2-CD1 4.15Å; T749-L753 WeakPolarHBondContact O-CB 3.25Å; T749-L753 VanDerWaalsContact O-CG 3.3Å; T749-L753 WeakPolarHBondContact O-CG 3.22Å; T749-L753 PolarHBondContact O-N 2.83Å; R750-L753 PolarHBondContact O-N 3.33Å; L753-C756 PolarHBondContact O-N 2.88Å; L753-L757 VanDerWaalsContact O-CB 3.32Å; L753-L757 WeakPolarHBondContact O-CB 3.25Å; L753-L757 VanDerWaalsContact O-CG 3.28Å; L753-L757 WeakPolarHBondContact O-CG 3.27Å; L753-L757 PolarHBondContact O-N 3.41Å; L753-L882 HydrophobicContact CB-CD1 4.21Å; L753-L882 HydrophobicContact CB-CD2 4.37Å
754A90.7Very high88Confident16 Ų1670.6 Ų70.613%0.13238%0.377CS..Hα-helixtrans-60.9-47.7176.400000111.2R750 L751 L752 L757 A758 L882R750-A754 WeakPolarHBondContact O-CB 2.89Å; R750-A754 PolarHBondContact O-N 3.34Å; L751-A754 PolarHBondContact O-N 2.79Å; L752-A754 VanDerWaalsContact C-N 3.33Å; L752-A754 PolarHBondContact O-N 3.12Å; A754-L757 PolarHBondContact O-N 3.15Å; A754-A758 WeakPolarHBondContact O-CB 3.25Å; A754-A758 PolarHBondContact O-N 3.46Å; A754-L882 VanDerWaalsContact CA-CD1 3.46Å; A754-L882 HydrophobicContact CB-CD1 3.57Å
755V92.4Very high89.1Confident102 Ų10267 Ų6762%0.61836%0.355SS*.Hα-helixtrans-63.7-45177.5173.30000111.1L751 L752 A758 A759L751-V755 WeakPolarHBondContact O-CG2 3.42Å; L751-V755 PolarHBondContact O-N 3.18Å; L752-V755 PolarHBondContact O-N 2.84Å; V755-A758 PolarHBondContact O-N 3.42Å; V755-A759 VanDerWaalsContact O-CB 3.25Å; V755-A759 WeakPolarHBondContact O-CB 3.42Å; V755-A759 PolarHBondContact O-N 2.94Å
756C93.5Very high89.8Confident68 Ų6865 Ų6546%0.45935%0.345SS..Hα-helixtrans-62.3-45178.1-69.70000112.2L752 L753 A759 A760L752-C756 WeakPolarHBondContact O-CB 3.4Å; L752-C756 PolarHBondContact O-N 3.36Å; L752-C756 PolarHBondContact O-SG 2.8Å; L753-C756 PolarHBondContact O-N 2.88Å; C756-A759 PolarHBondContact O-N 2.97Å; C756-A760 VanDerWaalsContact O-CB 3.29Å; C756-A760 WeakPolarHBondContact O-CB 3.47Å; C756-A760 PolarHBondContact O-N 2.93Å
757L93.3Very high90.2Very high24 Ų2455.2 Ų55.213%0.12631%0.308CS..Hα-helixtrans-69.4-37.4178.8-72175.4000112L753 A754 A760 G761 A769 A772 A773 L776 V878L753-L757 VanDerWaalsContact O-CB 3.32Å; L753-L757 WeakPolarHBondContact O-CB 3.25Å; L753-L757 VanDerWaalsContact O-CG 3.28Å; L753-L757 WeakPolarHBondContact O-CG 3.27Å; L753-L757 PolarHBondContact O-N 3.41Å; A754-L757 PolarHBondContact O-N 3.15Å; L757-A760 PolarHBondContact O-N 3.2Å; L757-G761 PolarHBondContact O-N 3.3Å; L757-A769 WeakPolarHBondContact O-CB 3.34Å; L757-A772 HydrophobicContact CD2-CB 3.71Å; L757-A773 HydrophobicContact CD1-CB 4.43Å; L757-L776 HydrophobicContact CD1-CD1 3.91Å; L757-V878 HydrophobicContact CB-CG1 3.8Å; L757-V878 HydrophobicContact CB-CG2 4.43Å; L757-V878 HydrophobicContact CD1-CG1 3.97Å
758A91.4Very high90.8Very high22 Ų2253.2 Ų53.218%0.18230%0.298CS..Hα-helixtrans-66.3-42.1174.200000111.8A754 V755 G761 S762 W871 V875A754-A758 WeakPolarHBondContact O-CB 3.25Å; A754-A758 PolarHBondContact O-N 3.46Å; V755-A758 PolarHBondContact O-N 3.42Å; A758-G761 PolarHBondContact O-N 3.41Å; A758-S762 PolarHBondContact O-N 3.01Å; A758-W871 WeakPolarHBondContact O-CH2 3.24Å; A758-W871 WeakPolarHBondContact O-CZ3 3.28Å; A758-V875 HydrophobicContact CB-CG2 4.11Å
759A91.7Very high91.2Very high48 Ų4842.7 Ų42.740%0.39726%0.258SS..Hα-helixtrans-66.5-4017500000112.1V755 C756 S762 T763V755-A759 VanDerWaalsContact O-CB 3.25Å; V755-A759 WeakPolarHBondContact O-CB 3.42Å; V755-A759 PolarHBondContact O-N 2.94Å; C756-A759 PolarHBondContact O-N 2.97Å; A759-S762 PolarHBondContact O-N 3.19Å; A759-S762 PolarHBondContact O-OG 3.35Å; A759-T763 WeakPolarHBondContact O-CB 3.38Å; A759-T763 WeakPolarHBondContact O-CG2 3.19Å; A759-T763 PolarHBondContact O-N 2.92Å; A759-T763 VanDerWaalsContact O-N 3.13Å; A759-T763 PolarHBondContact O-OG1 3.25Å
760A90.9Very high91.6Very high36 Ų3639.9 Ų39.930%0.29824%0.241SC..Hα-helixtrans-60.7-47.517200000110.2C756 L757 S762 T763 S764C756-A760 VanDerWaalsContact O-CB 3.29Å; C756-A760 WeakPolarHBondContact O-CB 3.47Å; C756-A760 PolarHBondContact O-N 2.93Å; L757-A760 PolarHBondContact O-N 3.2Å; A760-S762 VanDerWaalsContact C-N 3.34Å; A760-S762 PolarHBondContact O-N 2.92Å; A760-T763 PolarHBondContact O-N 3Å; A760-T763 PolarHBondContact O-OG1 3.25Å; A760-S764 WeakPolarHBondContact O-CB 3.09Å; A760-S764 PolarHBondContact O-N 3.45Å; A760-S764 PolarHBondContact O-OG 2.93Å
761G89.6Confident91.9Very high1 Ų138.8 Ų38.81%0.0124%0.242CC..Hα-helixtrans-59.4-39.4177.100000113.7L757 A758 S764 C765 W871L757-G761 PolarHBondContact O-N 3.3Å; A758-G761 PolarHBondContact O-N 3.41Å; G761-S764 CarbonylContact O-C 3.59Å; G761-C765 CarbonylContact O-C 3.44Å; G761-C765 PolarHBondContact O-N 3.37Å; G761-W871 VanDerWaalsContact C-CZ3 3.49Å
762S88.3Confident92.2Very high38 Ų3835.2 Ų35.227%0.26623%0.227SC..Hα-helixtrans-72.2-36.4-177.374.90000113.1A758 A759 A760 R864A758-S762 PolarHBondContact O-N 3.01Å; A759-S762 PolarHBondContact O-N 3.19Å; A759-S762 PolarHBondContact O-OG 3.35Å; A760-S762 VanDerWaalsContact C-N 3.34Å; A760-S762 PolarHBondContact O-N 2.92Å; S762-R864 WeakPolarHBondContact O-CD 3.27Å; S762-R864 PolarHBondContact O-NE 2.87Å
763T90.1Very high92.3Very high90 Ų9029.9 Ų29.955%0.55220%0.2SC*.Hα-helixtrans-85.6-22.3-178.253.60000112.5A759 A760A759-T763 WeakPolarHBondContact O-CB 3.38Å; A759-T763 WeakPolarHBondContact O-CG2 3.19Å; A759-T763 PolarHBondContact O-N 2.92Å; A759-T763 VanDerWaalsContact O-N 3.13Å; A759-T763 PolarHBondContact O-OG1 3.25Å; A760-T763 PolarHBondContact O-N 3Å; A760-T763 PolarHBondContact O-OG1 3.25Å
764S92.2Very high92.3Very high15 Ų1527.9 Ų27.911%0.10519%0.19CC..SBendtrans-119.4-96.7-179.8660000112.5A760 G761 W855 R864 L865A760-S764 WeakPolarHBondContact O-CB 3.09Å; A760-S764 PolarHBondContact O-N 3.45Å; A760-S764 PolarHBondContact O-OG 2.93Å; G761-S764 CarbonylContact O-C 3.59Å; S764-W855 VanDerWaalsContact CB-CZ2 3.49Å; S764-R864 WeakPolarHBondContact O-CA 3.44Å; S764-L865 PolarHBondContact O-N 3.18Å
765C93.1Very high92.3Very high0 Ų031.9 Ų31.90%021%0.208CC..  trans-146132.3-178.71770000110.3G761 A767 L768 W855 L865G761-C765 CarbonylContact O-C 3.44Å; G761-C765 PolarHBondContact O-N 3.37Å; C765-A767 PolarHBondContact O-N 3.29Å; C765-A767 PolarHBondContact SG-N 2.99Å; C765-L768 VanDerWaalsContact O-CB 3.26Å; C765-L768 WeakPolarHBondContact O-CB 3.46Å; C765-L768 PolarHBondContact O-N 2.63Å; C765-W855 HydrophobicContact CB-CB 4.14Å; C765-W855 HydrophobicContact CB-CD2 3.94Å; C765-W855 HydrophobicContact CB-CE3 4.42Å; C765-W855 HydrophobicContact CB-CG 3.79Å; C765-L865 HydrophobicContact CB-CB 4.22Å
766G92.6Very high92.1Very high0 Ų029.8 Ų29.80%019%0.194CC..Hα-helixtrans-59.5-32.1177.300000113L768 A769 I770 D868G766-L768 VanDerWaalsContact C-N 3.27Å; G766-L768 PolarHBondContact O-N 3Å; G766-A769 WeakPolarHBondContact O-CB 3.5Å; G766-A769 PolarHBondContact O-N 3.21Å; G766-A769 VanDerWaalsContact O-N 3.16Å; G766-I770 WeakPolarHBondContact O-CG1 3.27Å; G766-I770 PolarHBondContact O-N 3.27Å; G766-D868 WeakPolarHBondContact CA-OD2 3.26Å; G766-D868 PolarHBondContact N-OD2 2.57Å
767A93.3Very high91.9Very high1 Ų126.6 Ų26.61%0.00817%0.172CC..Hα-helixtrans-62.5-32.9174.400000112.6C765 I770 A771 S848 L852C765-A767 PolarHBondContact O-N 3.29Å; C765-A767 PolarHBondContact SG-N 2.99Å; A767-I770 PolarHBondContact O-N 3.13Å; A767-A771 WeakPolarHBondContact O-CB 3.46Å; A767-A771 PolarHBondContact O-N 2.77Å; A767-S848 WeakPolarHBondContact CB-O 3.32Å; A767-L852 HydrophobicContact CB-CB 3.9Å
768L94.4Very high91.6Very high62 Ų6227.3 Ų27.333%0.32518%0.175SC..Hα-helixtrans-64.7-43.5174.1-178.967.1000110.8C765 G766 A771 A772 L852 W855C765-L768 VanDerWaalsContact O-CB 3.26Å; C765-L768 WeakPolarHBondContact O-CB 3.46Å; C765-L768 PolarHBondContact O-N 2.63Å; G766-L768 VanDerWaalsContact C-N 3.27Å; G766-L768 PolarHBondContact O-N 3Å; L768-A771 PolarHBondContact O-N 3.2Å; L768-A772 VanDerWaalsContact O-CB 3.28Å; L768-A772 WeakPolarHBondContact O-CB 3.42Å; L768-A772 PolarHBondContact O-N 3.4Å; L768-L852 HydrophobicContact CB-CD1 3.85Å; L768-L852 HydrophobicContact CD1-CD1 4.03Å; L768-W855 HydrophobicContact CD2-CH2 4Å; L768-W855 HydrophobicContact CD2-CZ3 4.27Å
769A94.5Very high91.3Very high1 Ų130 Ų301%0.00819%0.187CC..Hα-helixtrans-64-41177.300000111.9L757 G766 A772 A773 V878L757-A769 WeakPolarHBondContact O-CB 3.34Å; G766-A769 WeakPolarHBondContact O-CB 3.5Å; G766-A769 PolarHBondContact O-N 3.21Å; G766-A769 VanDerWaalsContact O-N 3.16Å; A769-A772 PolarHBondContact O-N 3.34Å; A769-A773 WeakPolarHBondContact O-CB 3.11Å; A769-A773 PolarHBondContact O-N 3.11Å; A769-V878 HydrophobicContact CB-CG2 4.07Å
770I93.9Very high90.8Very high0 Ų028.5 Ų28.50%017%0.171CC..Hα-helixtrans-62.9-47.8175.4-66.5170.5000111.1G766 A767 A773 S774 P844 A845 C870 L877G766-I770 WeakPolarHBondContact O-CG1 3.27Å; G766-I770 PolarHBondContact O-N 3.27Å; A767-I770 PolarHBondContact O-N 3.13Å; I770-A773 PolarHBondContact O-N 3.15Å; I770-S774 WeakPolarHBondContact O-CB 3.32Å; I770-S774 PolarHBondContact O-N 3.34Å; I770-S774 PolarHBondContact O-OG 3.15Å; I770-P844 HydrophobicContact CG2-CB 4.2Å; I770-A845 HydrophobicContact CG2-CB 4.12Å; I770-C870 HydrophobicContact CD1-CB 4.17Å; I770-L877 HydrophobicContact CB-CD2 4.24Å; I770-L877 HydrophobicContact CD1-CD2 4.26Å; I770-L877 HydrophobicContact CG1-CD2 3.86Å; I770-L877 HydrophobicContact CG2-CD2 3.6Å
771A93.9Very high90.1Very high23 Ų2326.8 Ų26.819%0.1916%0.157CC..Hα-helixtrans-62.3-45.1178.300000111.4A767 L768 S774 L775 L852A767-A771 WeakPolarHBondContact O-CB 3.46Å; A767-A771 PolarHBondContact O-N 2.77Å; L768-A771 PolarHBondContact O-N 3.2Å; A771-S774 PolarHBondContact O-N 2.7Å; A771-L775 WeakPolarHBondContact O-CB 3.27Å; A771-L775 VanDerWaalsContact O-CG 3.31Å; A771-L775 WeakPolarHBondContact O-CG 3.34Å; A771-L775 PolarHBondContact O-N 2.72Å; A771-L852 HydrophobicContact CB-CD2 4.35Å
772A93.8Very high89.4Confident30 Ų3027.2 Ų27.225%0.24816%0.159CC..Hα-helixtrans-62.5-43.4177.200000112.3L757 L768 A769 S774 L775 L776L757-A772 HydrophobicContact CD2-CB 3.71Å; L768-A772 VanDerWaalsContact O-CB 3.28Å; L768-A772 WeakPolarHBondContact O-CB 3.42Å; L768-A772 PolarHBondContact O-N 3.4Å; A769-A772 PolarHBondContact O-N 3.34Å; A772-S774 PolarHBondContact O-N 3.38Å; A772-L775 PolarHBondContact O-N 3.39Å; A772-L776 WeakPolarHBondContact O-CG 3.35Å; A772-L776 PolarHBondContact O-N 3.41Å
773A92.9Very high88.5Confident2 Ų227.1 Ų27.12%0.01716%0.156CC..Hα-helixtrans-62.4-41.6175.600000112.3L757 A769 I770 L776 H777 V878L757-A773 HydrophobicContact CD1-CB 4.43Å; A769-A773 WeakPolarHBondContact O-CB 3.11Å; A769-A773 PolarHBondContact O-N 3.11Å; I770-A773 PolarHBondContact O-N 3.15Å; A773-L776 PolarHBondContact O-N 3.2Å; A773-H777 PolarHBondContact O-N 3.49Å; A773-H777 VanDerWaalsContact O-N 3.07Å; A773-V878 HydrophobicContact CB-CG2 4.06Å
774S91.2Very high87.8Confident6 Ų627.1 Ų27.14%0.04215%0.145CC..Hα-helixtrans-64.7-41177.1-55.70000111.8I770 A771 A772 H777 L778 L841I770-S774 WeakPolarHBondContact O-CB 3.32Å; I770-S774 PolarHBondContact O-N 3.34Å; I770-S774 PolarHBondContact O-OG 3.15Å; A771-S774 PolarHBondContact O-N 2.7Å; A772-S774 PolarHBondContact O-N 3.38Å; S774-H777 PolarHBondContact O-N 2.9Å; S774-L778 PolarHBondContact O-N 3.45Å; S774-L841 PolarHBondContact OG-O 3.31Å
775L90.6Very high87.2Confident100 Ų10027 Ų2752%0.52414%0.144SC..Hα-helixtrans-65.2-39.8174.7-73.8171.3000112.3A771 A772 H777 L778 N779A771-L775 WeakPolarHBondContact O-CB 3.27Å; A771-L775 VanDerWaalsContact O-CG 3.31Å; A771-L775 WeakPolarHBondContact O-CG 3.34Å; A771-L775 PolarHBondContact O-N 2.72Å; A772-L775 PolarHBondContact O-N 3.39Å; L775-H777 VanDerWaalsContact C-N 3.31Å; L775-H777 PolarHBondContact O-N 2.85Å; L775-L778 PolarHBondContact O-N 3.47Å; L775-N779 WeakPolarHBondContact O-CB 3.43Å; L775-N779 PolarHBondContact O-N 2.98Å; L775-N779 PolarHBondContact O-ND2 3.45Å
776L89.9Confident86.8Confident59 Ų5927.4 Ų27.431%0.30915%0.145SC..Hα-helixtrans-60.9-41.2174-73.7172.7000111.6L757 A772 A773 R780 L882 I885L757-L776 HydrophobicContact CD1-CD1 3.91Å; A772-L776 WeakPolarHBondContact O-CG 3.35Å; A772-L776 PolarHBondContact O-N 3.41Å; A773-L776 PolarHBondContact O-N 3.2Å; L776-R780 PolarHBondContact O-N 3.45Å; L776-L882 HydrophobicContact CD1-CD2 4.47Å; L776-I885 HydrophobicContact CB-CD1 4.23Å
777H88Confident86.3Confident1 Ų128.3 Ų28.31%0.00515%0.15CC..Hα-helixtrans-65.4-47.1175.8-163.585.5000111.1A773 S774 L775 N779 R780 V781 H834 L841A773-H777 PolarHBondContact O-N 3.49Å; A773-H777 VanDerWaalsContact O-N 3.07Å; S774-H777 PolarHBondContact O-N 2.9Å; L775-H777 VanDerWaalsContact C-N 3.31Å; L775-H777 PolarHBondContact O-N 2.85Å; H777-N779 VanDerWaalsContact C-N 3.32Å; H777-N779 PolarHBondContact O-N 2.91Å; H777-R780 WeakPolarHBondContact O-CB 3.46Å; H777-R780 PolarHBondContact O-N 3.13Å; H777-R780 VanDerWaalsContact O-N 3.07Å; H777-V781 WeakPolarHBondContact O-CG2 3.48Å; H777-V781 PolarHBondContact O-N 3.07Å; H777-V781 VanDerWaalsContact O-N 3.13Å; H777-H834 AromaticContact CE1-ND1 3.42Å; H777-H834 PolarHBondContact CE1-ND1 3.03Å; H777-H834 AromaticContact NE2-ND1 3.58Å; H777-L841 HydrophobicContact CB-CD1 4.21Å
778L86.9Confident85.7Confident38 Ų3828.6 Ų28.620%0.19915%0.151CC..Hα-helixtrans-60.5-39.9176.7-170.367.7000112.3L719 V723 S774 L775 R780 V781 V782L719-L778 HydrophobicContact CD1-CD1 3.92Å; V723-L778 HydrophobicContact CG2-CD1 4.11Å; S774-L778 PolarHBondContact O-N 3.45Å; L775-L778 PolarHBondContact O-N 3.47Å; L778-R780 VanDerWaalsContact C-N 3.28Å; L778-R780 PolarHBondContact O-N 3.42Å; L778-V781 WeakPolarHBondContact O-CB 3.41Å; L778-V781 PolarHBondContact O-N 3.33Å; L778-V781 VanDerWaalsContact O-N 3.08Å; L778-V782 HydrophobicContact CD1-CG2 4.45Å; L778-V782 HydrophobicContact CG-CG2 4.25Å; L778-V782 WeakPolarHBondContact O-CG2 3.31Å; L778-V782 PolarHBondContact O-N 3.01Å
779N84.8Confident85.2Confident79 Ų7927 Ų2742%0.42214%0.142SC..Hα-helixtrans-59.9-37.9174.9-78.2-22.7000111.8L775 H777 L783L775-N779 WeakPolarHBondContact O-CB 3.43Å; L775-N779 PolarHBondContact O-N 2.98Å; L775-N779 PolarHBondContact O-ND2 3.45Å; H777-N779 VanDerWaalsContact C-N 3.32Å; H777-N779 PolarHBondContact O-N 2.91Å; N779-L783 HydrophobicContact CB-CD1 4.45Å; N779-L783 VanDerWaalsContact O-CB 3.25Å; N779-L783 WeakPolarHBondContact O-CB 3.44Å; N779-L783 PolarHBondContact O-N 3.23Å
780R81.4Confident84.5Confident17 Ų1729.8 Ų29.86%0.06415%0.152CC..Hα-helixtrans-62.9-46.3171.8179.6-176.5176.1125.8-14.8111.1L776 H777 L778 V782 R784 L785 I885 N886 N888L776-R780 PolarHBondContact O-N 3.45Å; H777-R780 WeakPolarHBondContact O-CB 3.46Å; H777-R780 PolarHBondContact O-N 3.13Å; H777-R780 VanDerWaalsContact O-N 3.07Å; L778-R780 VanDerWaalsContact C-N 3.28Å; L778-R780 PolarHBondContact O-N 3.42Å; R780-V782 PolarHBondContact O-N 2.8Å; R780-R784 HydrophobicContact CG-CB 4.46Å; R780-R784 WeakPolarHBondContact O-CA 3.49Å; R780-R784 VanDerWaalsContact O-CB 3.28Å; R780-R784 WeakPolarHBondContact O-CB 3.33Å; R780-R784 PolarHBondContact O-N 3.49Å; R780-R784 VanDerWaalsContact O-N 3.1Å; R780-L785 PolarHBondContact O-N 2.94Å; R780-I885 WeakPolarHBondContact CD-O 3.45Å; R780-I885 PolarHBondContact NE-O 2.85Å; R780-I885 PolarHBondContact NH1-O 3.48Å; R780-I885 PolarHBondContact NH2-O 3.14Å; R780-N886 PolarHBondContact NH1-OD1 3.48Å; R780-N888 PolarHBondContact NH2-OD1 2.92Å
781V77.1Confident84Confident0 Ų030.8 Ų30.80%016%0.159CC..Iπ-helixtrans-59.2-48.9179.6-174.30000111V723 H777 L778 Q786 L831 H834 L835 A838V723-V781 HydrophobicContact CG1-CG1 4.17Å; V723-V781 HydrophobicContact CG2-CG1 4.36Å; H777-V781 WeakPolarHBondContact O-CG2 3.48Å; H777-V781 PolarHBondContact O-N 3.07Å; H777-V781 VanDerWaalsContact O-N 3.13Å; L778-V781 WeakPolarHBondContact O-CB 3.41Å; L778-V781 PolarHBondContact O-N 3.33Å; L778-V781 VanDerWaalsContact O-N 3.08Å; V781-Q786 WeakPolarHBondContact O-CB 3.32Å; V781-Q786 PolarHBondContact O-N 3.48Å; V781-L831 HydrophobicContact CG1-CD1 4.01Å; V781-H834 HydrophobicContact CG2-CB 3.93Å; V781-L835 HydrophobicContact CG1-CD2 3.78Å; V781-L835 HydrophobicContact CG1-CG 4.13Å; V781-A838 HydrophobicContact CG2-CB 4.29Å
782V74.2Confident83.3Confident9 Ų929.8 Ų29.86%0.05515%0.151CC..Iπ-helixtrans-72.8-59.7-176.6177.10000112.1V723 A726 L730 L778 R780 M787V723-V782 HydrophobicContact CB-CG2 4.21Å; V723-V782 HydrophobicContact CG1-CG2 4.05Å; V723-V782 HydrophobicContact CG2-CG2 3.85Å; A726-V782 HydrophobicContact CB-CG1 3.81Å; L730-V782 HydrophobicContact CD1-CG1 4Å; L778-V782 HydrophobicContact CD1-CG2 4.45Å; L778-V782 HydrophobicContact CG-CG2 4.25Å; L778-V782 WeakPolarHBondContact O-CG2 3.31Å; L778-V782 PolarHBondContact O-N 3.01Å; R780-V782 PolarHBondContact O-N 2.8Å; V782-M787 WeakPolarHBondContact O-CG 3.48Å
783L70.3Confident82.7Confident37 Ų3729.3 Ų29.319%0.19415%0.146CC..Iπ-helixtrans-79.5-23.7-168.6-68.3170.3000113.3L730 N779 M787L730-L783 HydrophobicContact CB-CD2 3.93Å; L730-L783 HydrophobicContact CD1-CD2 3.81Å; L730-L783 HydrophobicContact CD2-CD2 4.14Å; L730-L783 HydrophobicContact CG-CD2 4.17Å; N779-L783 HydrophobicContact CB-CD1 4.45Å; N779-L783 VanDerWaalsContact O-CB 3.25Å; N779-L783 WeakPolarHBondContact O-CB 3.44Å; N779-L783 PolarHBondContact O-N 3.23Å; L783-M787 WeakPolarHBondContact O-CB 3.36Å
784R73.8Confident82.2Confident90 Ų9035 Ų3534%0.3417%0.172SC..Iπ-helixtrans-106.9-64.7-174.8-55.4-171.6169.8166.70.8110.9G743 R780 T788G743-R784 VanDerWaalsContact C-NH1 3.28Å; G743-R784 VanDerWaalsContact CA-NH1 3.34Å; G743-R784 PolarHBondContact O-NH1 2.87Å; R780-R784 HydrophobicContact CG-CB 4.46Å; R780-R784 WeakPolarHBondContact O-CA 3.49Å; R780-R784 VanDerWaalsContact O-CB 3.28Å; R780-R784 WeakPolarHBondContact O-CB 3.33Å; R780-R784 PolarHBondContact O-N 3.49Å; R780-R784 VanDerWaalsContact O-N 3.1Å; R784-T788 WeakPolarHBondContact O-CB 3.25Å; R784-T788 WeakPolarHBondContact O-CG2 3.4Å; R784-T788 PolarHBondContact O-N 3.08Å; R784-T788 PolarHBondContact O-OG1 3.07Å
785L80.5Confident81.6Confident13 Ų1337.4 Ų37.47%0.06818%0.183CC..Iπ-helixtrans-75-44.9-171-64.7170.9000113.6R780 T788 E789 D830 L831 H834R780-L785 PolarHBondContact O-N 2.94Å; L785-T788 WeakPolarHBondContact CA-OG1 3.49Å; L785-T788 PolarHBondContact O-OG1 3.2Å; L785-E789 WeakPolarHBondContact O-CB 3.22Å; L785-E789 PolarHBondContact O-N 3.37Å; L785-D830 HydrophobicContact CD2-CB 4.2Å; L785-L831 HydrophobicContact CB-CB 4.28Å; L785-L831 HydrophobicContact CB-CD1 3.83Å; L785-H834 HydrophobicContact CD1-CB 3.73Å; L785-H834 WeakPolarHBondContact CD1-CD2 3.41Å
786Q84.9Confident81Confident8 Ų834.4 Ų34.44%0.03717%0.167CC..Iπ-helixtrans-70.9-33.6-179.8-176.263.465.500112.3V723 S727 V781 E789 R790 L831V723-Q786 HydrophobicContact CG1-CB 3.87Å; V723-Q786 HydrophobicContact CG1-CG 3.89Å; S727-Q786 WeakPolarHBondContact OG-CG 3.14Å; V781-Q786 WeakPolarHBondContact O-CB 3.32Å; V781-Q786 PolarHBondContact O-N 3.48Å; Q786-E789 PolarHBondContact NE2-OE2 2.98Å; Q786-R790 WeakPolarHBondContact O-CG 3.34Å; Q786-R790 PolarHBondContact O-N 3.48Å; Q786-L831 HydrophobicContact CB-CD1 4.28Å
787M81.6Confident80.4Confident19 Ų1938.2 Ų38.29%0.09419%0.188CC..Hα-helixtrans-73.5-40176.8-75.5-64.4-68.900112.7A731 V782 L783 R790 S791A731-M787 HydrophobicContact CB-CE 3.76Å; A731-M787 HydrophobicContact CB-SD 4.25Å; V782-M787 WeakPolarHBondContact O-CG 3.48Å; L783-M787 WeakPolarHBondContact O-CB 3.36Å; M787-R790 PolarHBondContact O-N 3.42Å; M787-S791 WeakPolarHBondContact O-CB 3.34Å; M787-S791 PolarHBondContact O-N 3.47Å; M787-S791 PolarHBondContact O-OG 3.22Å
788T80.2Confident79.8Confident6 Ų644.1 Ų44.14%0.03722%0.219CC..Hα-helixtrans-64.6-46.3174.154.20000110.4S737 R784 L785 R790 S791 L792 V827S737-T788 WeakPolarHBondContact O-CG2 3.21Å; S737-T788 WeakPolarHBondContact OG-CG2 3.4Å; R784-T788 WeakPolarHBondContact O-CB 3.25Å; R784-T788 WeakPolarHBondContact O-CG2 3.4Å; R784-T788 PolarHBondContact O-N 3.08Å; R784-T788 PolarHBondContact O-OG1 3.07Å; L785-T788 WeakPolarHBondContact CA-OG1 3.49Å; L785-T788 PolarHBondContact O-OG1 3.2Å; T788-R790 VanDerWaalsContact C-N 3.3Å; T788-R790 PolarHBondContact O-N 2.84Å; T788-S791 PolarHBondContact O-N 3.13Å; T788-L792 VanDerWaalsContact O-CB 3.32Å; T788-L792 WeakPolarHBondContact O-CB 3.41Å; T788-L792 PolarHBondContact O-N 3.37Å; T788-V827 WeakPolarHBondContact OG1-CG1 3.29Å
789E84.3Confident79Confident30 Ų3044.3 Ų44.314%0.1423%0.226CC..Hα-helixtrans-54-46.5176.5-173.3-80.2143.700111.5L785 Q786 S793 L824 V827 R828 L831L785-E789 WeakPolarHBondContact O-CB 3.22Å; L785-E789 PolarHBondContact O-N 3.37Å; Q786-E789 PolarHBondContact NE2-OE2 2.98Å; E789-S793 WeakPolarHBondContact O-CB 3.46Å; E789-S793 PolarHBondContact O-N 3.1Å; E789-S793 PolarHBondContact O-OG 3.21Å; E789-S793 VanDerWaalsContact O-OG 3.07Å; E789-S793 PolarHBondContact OE1-OG 2.88Å; E789-L824 HydrophobicContact CG-CD1 4.17Å; E789-V827 HydrophobicContact CB-CG1 4Å; E789-R828 HydrophobicContact CG-CG 3.98Å; E789-R828 IonicContact OE1-NE 3.68Å; E789-L831 HydrophobicContact CB-CD2 4.4Å; E789-L831 HydrophobicContact CG-CD2 4.39Å
790R81.3Confident77.6Confident58 Ų5846.2 Ų46.222%0.21924%0.243CC..Hα-helixtrans-64.2-46177.3-77.5174.9173.4-172.9-2.3113.4R724 S727 L728 Q786 M787 T788 L792 S793 H794R724-R790 VanDerWaalsContact C-NH2 3.34Å; R724-R790 VanDerWaalsContact CA-NH2 3.33Å; R724-R790 PolarHBondContact O-NH1 2.85Å; R724-R790 PolarHBondContact O-NH2 3.27Å; S727-R790 PolarHBondContact O-NH1 3.41Å; S727-R790 PolarHBondContact OG-NH1 2.89Å; S727-R790 PolarHBondContact OG-NH2 3.31Å; L728-R790 VanDerWaalsContact CD2-NH1 3.33Å; L728-R790 VanDerWaalsContact CG-NH1 3.31Å; Q786-R790 WeakPolarHBondContact O-CG 3.34Å; Q786-R790 PolarHBondContact O-N 3.48Å; M787-R790 PolarHBondContact O-N 3.42Å; T788-R790 VanDerWaalsContact C-N 3.3Å; T788-R790 PolarHBondContact O-N 2.84Å; R790-L792 VanDerWaalsContact C-N 3.31Å; R790-L792 PolarHBondContact O-N 3.46Å; R790-S793 PolarHBondContact O-N 2.86Å; R790-H794 VanDerWaalsContact O-CB 3.29Å; R790-H794 WeakPolarHBondContact O-CB 3.38Å; R790-H794 PolarHBondContact O-N 3.23Å
791S81.5Confident76.2Confident21 Ų2157.1 Ų57.115%0.14728%0.284CS..Hα-helixtrans-62.2-44.3-179-56.60000110.1M787 T788 H794 M795M787-S791 WeakPolarHBondContact O-CB 3.34Å; M787-S791 PolarHBondContact O-N 3.47Å; M787-S791 PolarHBondContact O-OG 3.22Å; T788-S791 PolarHBondContact O-N 3.13Å; S791-H794 PolarHBondContact O-N 3.42Å; S791-M795 WeakPolarHBondContact O-CB 3.28Å; S791-M795 VanDerWaalsContact O-CG 3.27Å; S791-M795 WeakPolarHBondContact O-CG 3.43Å; S791-M795 PolarHBondContact O-N 2.85Å
792L79.7Confident74.7Confident3 Ų367 Ų672%0.01633%0.327CS..Hα-helixtrans-70.6-41.3179.9-130.2147.8000111.5V738 T788 R790 M795 L796 L824V738-L792 HydrophobicContact CG1-CD1 4.27Å; T788-L792 VanDerWaalsContact O-CB 3.32Å; T788-L792 WeakPolarHBondContact O-CB 3.41Å; T788-L792 PolarHBondContact O-N 3.37Å; R790-L792 VanDerWaalsContact C-N 3.31Å; R790-L792 PolarHBondContact O-N 3.46Å; L792-M795 HydrophobicContact CB-CE 4.42Å; L792-M795 HydrophobicContact CG-CE 4.18Å; L792-M795 PolarHBondContact O-N 2.99Å; L792-L796 HydrophobicContact CD2-CD1 3.73Å; L792-L796 HydrophobicContact CD2-CG 4.49Å; L792-L796 WeakPolarHBondContact O-CB 3.32Å; L792-L796 PolarHBondContact O-N 2.78Å; L792-L824 HydrophobicContact CB-CD1 4.13Å; L792-L824 HydrophobicContact CD2-CB 3.89Å
793S82.6Confident73Confident19 Ų1975 Ų7513%0.13336%0.364CS..Hα-helixtrans-60.3-42.5171.6-76.40000112E789 R790 N797 L824E789-S793 WeakPolarHBondContact O-CB 3.46Å; E789-S793 PolarHBondContact O-N 3.1Å; E789-S793 PolarHBondContact O-OG 3.21Å; E789-S793 VanDerWaalsContact O-OG 3.07Å; E789-S793 PolarHBondContact OE1-OG 2.88Å; R790-S793 PolarHBondContact O-N 2.86Å; S793-N797 WeakPolarHBondContact O-CB 3.33Å; S793-N797 PolarHBondContact O-N 2.99Å; S793-N797 PolarHBondContact O-ND2 2.76Å; S793-L824 WeakPolarHBondContact OG-CD1 3.25Å
794H81.3Confident71.4Confident121 Ų12182.4 Ų82.456%0.5639%0.394SS*.Hα-helixtrans-67.5-43.8176.9-173.3-94.5000112R790 S791 L796 N797 L798R790-H794 VanDerWaalsContact O-CB 3.29Å; R790-H794 WeakPolarHBondContact O-CB 3.38Å; R790-H794 PolarHBondContact O-N 3.23Å; S791-H794 PolarHBondContact O-N 3.42Å; H794-L796 PolarHBondContact O-N 3.49Å; H794-N797 PolarHBondContact O-N 3.31Å; H794-L798 WeakPolarHBondContact CE1-CD1 3.48Å; H794-L798 WeakPolarHBondContact ND1-CD1 3.42Å; H794-L798 WeakPolarHBondContact O-CG 3.36Å; H794-L798 PolarHBondContact O-N 3.42Å; H794-L798 VanDerWaalsContact O-N 3.08Å
795M78.4Confident70.5Confident58 Ų5884.1 Ų84.129%0.28642%0.417SS..Hα-helixtrans-63-39.8175.9-73.5-174.8-60.900112.4V738 S791 L792 L798 A799 L819V738-M795 HydrophobicContact CB-CE 4.25Å; V738-M795 HydrophobicContact CG1-CE 3.65Å; V738-M795 HydrophobicContact CG2-CE 3.64Å; V738-M795 HydrophobicContact CG2-SD 4.22Å; S791-M795 WeakPolarHBondContact O-CB 3.28Å; S791-M795 VanDerWaalsContact O-CG 3.27Å; S791-M795 WeakPolarHBondContact O-CG 3.43Å; S791-M795 PolarHBondContact O-N 2.85Å; L792-M795 HydrophobicContact CB-CE 4.42Å; L792-M795 HydrophobicContact CG-CE 4.18Å; L792-M795 PolarHBondContact O-N 2.99Å; M795-L798 PolarHBondContact O-N 3.37Å; M795-A799 PolarHBondContact O-N 3.49Å; M795-A799 VanDerWaalsContact O-N 3.12Å; M795-L819 HydrophobicContact CB-CD1 4.11Å; M795-L819 HydrophobicContact CE-CD2 4.02Å; M795-L819 HydrophobicContact SD-CD2 4.46Å
796L78.5Confident68.4Low36 Ų3688.5 Ų88.519%0.18846%0.455CS..Hα-helixtrans-68.5-37.4175.7-83.7158.9000112.5L792 H794 L798 A799 E821 L824L792-L796 HydrophobicContact CD2-CD1 3.73Å; L792-L796 HydrophobicContact CD2-CG 4.49Å; L792-L796 WeakPolarHBondContact O-CB 3.32Å; L792-L796 PolarHBondContact O-N 2.78Å; H794-L796 PolarHBondContact O-N 3.49Å; L796-L798 VanDerWaalsContact C-N 3.26Å; L796-L798 PolarHBondContact O-N 3.48Å; L796-A799 WeakPolarHBondContact O-CB 3.25Å; L796-A799 PolarHBondContact O-N 3.33Å; L796-E821 HydrophobicContact CD2-CG 4.33Å; L796-L824 HydrophobicContact CD1-CB 3.79Å; L796-L824 HydrophobicContact CD1-CD2 3.5Å; L796-L824 HydrophobicContact CD1-CG 4.23Å
797N78Confident66.5Low139 Ų13992.1 Ų92.174%0.74349%0.486SS*.Hα-helixtrans-67.6-26.2174.8-73.6-21.2000112.9S793 H794S793-N797 WeakPolarHBondContact O-CB 3.33Å; S793-N797 PolarHBondContact O-N 2.99Å; S793-N797 PolarHBondContact O-ND2 2.76Å; H794-N797 PolarHBondContact O-N 3.31Å
798L75.8Confident64.5Low125 Ų12599.2 Ų99.265%0.65453%0.525SS*.THydrogen-bonded Turntrans-88.2-9.5174.8-69.6176000113.5H794 M795 L796H794-L798 WeakPolarHBondContact CE1-CD1 3.48Å; H794-L798 WeakPolarHBondContact ND1-CD1 3.42Å; H794-L798 WeakPolarHBondContact O-CG 3.36Å; H794-L798 PolarHBondContact O-N 3.42Å; H794-L798 VanDerWaalsContact O-N 3.08Å; M795-L798 PolarHBondContact O-N 3.37Å; L796-L798 VanDerWaalsContact C-N 3.26Å; L796-L798 PolarHBondContact O-N 3.48Å
799A68.4Low62.8Low42 Ų42102.2 Ų102.235%0.34756%0.557SS.*SBendtrans-73.2134.8-179.800000110.7M795 L796 R801M795-A799 PolarHBondContact O-N 3.49Å; M795-A799 VanDerWaalsContact O-N 3.12Å; L796-A799 WeakPolarHBondContact O-CB 3.25Å; L796-A799 PolarHBondContact O-N 3.33Å; A799-R801 PolarHBondContact O-N 3.25Å; A799-R801 VanDerWaalsContact O-N 3.16Å
800P56.8Low60.4Low120 Ų120107 Ų10778%0.77959%0.588SS**  trans-65.4117.4-179.223.9-31.3000110.9K802P800-K802 PolarHBondContact O-N 3.43Å
801R51.7Low58.2Low246 Ų246110.2 Ų110.293%0.92862%0.617SS**  trans-65.999.9169.4-92.2-179.2166.3176.5-3.8108.9A799 Q803A799-R801 PolarHBondContact O-N 3.25Å; A799-R801 VanDerWaalsContact O-N 3.16Å; R801-Q803 PolarHBondContact O-N 3.24Å; R801-Q803 VanDerWaalsContact O-N 3.08Å
802K44.8Very low55.8Low207 Ų207118 Ų11890%0.965%0.65SS**  trans-62.9111.2171-81.9-172.3176.4179.70109.4P800P800-K802 PolarHBondContact O-N 3.43Å
803Q39.8Very low53.9Low177 Ų177123 Ų12383%0.82769%0.693SS**  trans-99.8138.1164-92-170.3-3.700110.8R801R801-Q803 PolarHBondContact O-N 3.24Å; R801-Q803 VanDerWaalsContact O-N 3.08Å
804K35.9Very low51.6Low193 Ų193125.2 Ų125.284%0.83972%0.718SS**  trans95.5133.8159.1-76.2-176176.11790120
805P55Low49.3Very low125 Ų125128.8 Ų128.881%0.81274%0.735SS**  trans-88.7144.7174.237.3-31000110.5
806A36.3Very low47.2Very low105 Ų105137.2 Ų137.287%0.86876%0.764SS**  trans-147.3149.6161.500000110.5
807A44.2Very low45.2Very low84 Ų84138.8 Ų138.869%0.69479%0.789SS**  trans-67.5157-161.700000115.5
808N40.9Very low43.7Very low168 Ų168140 Ų14090%0.89880%0.795SS**  trans78.3116.2157.5-60.9-16000118.5
809G44.5Very low42.7Very low70 Ų70137.4 Ų137.472%0.72278%0.781SS**  trans104.8104.413800000116.5
810V34Very low42.4Very low129 Ų129138.9 Ų138.978%0.78279%0.789SS**  trans73.9121.7160.7-166.10000116.5E812V810-E812 PolarHBondContact O-N 3.17Å
811P34.4Very low43.1Very low127 Ų127140.5 Ų140.583%0.82579%0.786SS**  trans-78.798.7168.131.4-27.7000109.1A813P811-A813 PolarHBondContact O-N 3.48Å
812E30.5Very low44.2Very low183 Ų183130.4 Ų130.486%0.85576%0.758SS**  trans-69.6114.8160.5-83.3-168.1156.300109.3V810 G814V810-E812 PolarHBondContact O-N 3.17Å; E812-G814 PolarHBondContact O-N 2.86Å
813A39.8Very low45.7Very low110 Ų110122.3 Ų122.391%0.90973%0.73SS**  trans-69.9104.3165.600000108.9P811P811-A813 PolarHBondContact O-N 3.48Å
814G34.5Very low47.7Very low65 Ų65114.5 Ų114.567%0.6769%0.694SS**  trans165.481.7174.100000113.8E812E812-G814 PolarHBondContact O-N 2.86Å
815E33.3Very low49.9Very low196 Ų196108.4 Ų108.492%0.91667%0.668SS**  172.8103.3129.1-96-179.3174.500108.7G817E815-G817 PolarHBondContact O-N 3.4Å
816R34.5Very low51.2Low234 Ų234106.1 Ų106.188%0.88365%0.647SS**  trans-57.2107.2165.4-74.2173.6179.2169.9-0.2107.8L818R816-L818 VanDerWaalsContact C-N 3.31Å; R816-L818 PolarHBondContact O-N 3.43Å
817G37.1Very low53.5Low70 Ų70101.3 Ų101.372%0.72261%0.607SS**  trans-57.396162.700000109.3E815 L819E815-G817 PolarHBondContact O-N 3.4Å; G817-L819 PolarHBondContact O-N 3.02Å; G817-L819 VanDerWaalsContact O-N 3.07Å
818L46.1Very low55.5Low164 Ų164102 Ų10286%0.85959%0.592SS**SBendtrans-71.46.9-172.9-96.9148.8000114.5R816R816-L818 VanDerWaalsContact C-N 3.31Å; R816-L818 PolarHBondContact O-N 3.43Å
819L55.1Low57.7Low71 Ų7194.7 Ų94.737%0.37255%0.552SS.*  trans-131.684.7175.1-70.9168.9000109.1V738 M795 G817V738-L819 HydrophobicContact CG1-CD2 4.16Å; M795-L819 HydrophobicContact CB-CD1 4.11Å; M795-L819 HydrophobicContact CE-CD2 4.02Å; M795-L819 HydrophobicContact SD-CD2 4.46Å; G817-L819 PolarHBondContact O-N 3.02Å; G817-L819 VanDerWaalsContact O-N 3.07Å
820S60.3Low59.8Low72 Ų7291.4 Ų91.450%0.50352%0.518SS..  trans-86.7132.5178.9173.50000110.6G822 A823S820-G822 PolarHBondContact O-N 3.34Å; S820-G822 PolarHBondContact OG-N 3.01Å; S820-G822 VanDerWaalsContact OG-N 3.15Å; S820-A823 PolarHBondContact O-N 3.24Å
821E72.7Confident62.3Low155 Ų15585.6 Ų85.672%0.72448%0.483SS*.Hα-helixtrans-48.6-27.2167.7-70.7-175.7154.100112.4L796 L824 Q825L796-E821 HydrophobicContact CD2-CG 4.33Å; E821-L824 PolarHBondContact O-N 3.41Å; E821-Q825 PolarHBondContact O-N 3.43Å
822G75.4Confident65Low33 Ų3381 Ų8134%0.3445%0.45SS..Hα-helixtrans-61.4-41.4173.500000113.7S820 L824 Q825 E826S820-G822 PolarHBondContact O-N 3.34Å; S820-G822 PolarHBondContact OG-N 3.01Å; S820-G822 VanDerWaalsContact OG-N 3.15Å; G822-L824 VanDerWaalsContact C-N 3.34Å; G822-L824 PolarHBondContact O-N 2.79Å; G822-Q825 PolarHBondContact O-N 2.81Å; G822-E826 WeakPolarHBondContact O-CG 3.43Å; G822-E826 PolarHBondContact O-N 3.05Å
823A75.4Confident67.7Low38 Ų3872.4 Ų72.431%0.31441%0.41SS..Hα-helixtrans-67.8-35.6177.900000111.8S820 V827S820-A823 PolarHBondContact O-N 3.24Å; A823-V827 VanDerWaalsContact O-CG2 3.32Å; A823-V827 WeakPolarHBondContact O-CG2 3.28Å; A823-V827 PolarHBondContact O-N 3.08Å; A823-V827 VanDerWaalsContact O-N 3.16Å
824L80.9Confident70.1Confident13 Ų1367.1 Ų67.17%0.06837%0.367CS..Hα-helixtrans-64.3-42.5172.2179.658.4000111.1E789 L792 S793 L796 E821 G822 V827 R828E789-L824 HydrophobicContact CG-CD1 4.17Å; L792-L824 HydrophobicContact CB-CD1 4.13Å; L792-L824 HydrophobicContact CD2-CB 3.89Å; S793-L824 WeakPolarHBondContact OG-CD1 3.25Å; L796-L824 HydrophobicContact CD1-CB 3.79Å; L796-L824 HydrophobicContact CD1-CD2 3.5Å; L796-L824 HydrophobicContact CD1-CG 4.23Å; E821-L824 PolarHBondContact O-N 3.41Å; G822-L824 VanDerWaalsContact C-N 3.34Å; G822-L824 PolarHBondContact O-N 2.79Å; L824-V827 PolarHBondContact O-N 3.47Å; L824-R828 WeakPolarHBondContact O-CG 3.48Å; L824-R828 PolarHBondContact O-N 2.78Å
825Q83.1Confident72.7Confident64 Ų6464.1 Ų64.130%0.29934%0.335SS..Hα-helixtrans-66.2-42179.9-170.658.934.200112E821 G822 V827 R828 D829E821-Q825 PolarHBondContact O-N 3.43Å; G822-Q825 PolarHBondContact O-N 2.81Å; Q825-V827 PolarHBondContact O-N 2.99Å; Q825-R828 WeakPolarHBondContact O-CB 3.43Å; Q825-R828 PolarHBondContact O-N 3.39Å; Q825-D829 PolarHBondContact NE2-OD1 3.22Å; Q825-D829 VanDerWaalsContact O-CG 3.24Å; Q825-D829 PolarHBondContact O-N 3.01Å
826E83.3Confident75.4Confident78 Ų7855.1 Ų55.136%0.36429%0.294SS..Hα-helixtrans-60-43.3174.9-72.6178.216500112.5R740 G822 R828 D829 D830R740-E826 WeakPolarHBondContact CD-OE2 3.4Å; R740-E826 IonicContact CZ-OE2 3.98Å; R740-E826 IonicContact NE-OE2 2.86Å; R740-E826 IonicContact NH1-OE1 3.56Å; R740-E826 PolarHBondContact NH1-OE1 2.88Å; R740-E826 VanDerWaalsContact NH1-OE1 3.12Å; R740-E826 IonicContact NH1-OE2 3.02Å; R740-E826 PolarHBondContact NH1-OE2 3.31Å; G822-E826 WeakPolarHBondContact O-CG 3.43Å; G822-E826 PolarHBondContact O-N 3.05Å; E826-R828 VanDerWaalsContact C-N 3.34Å; E826-D829 PolarHBondContact O-N 3.1Å; E826-D830 WeakPolarHBondContact O-CB 3.43Å; E826-D830 PolarHBondContact O-N 2.86Å
827V83.4Confident78.1Confident4 Ų444.1 Ų44.12%0.02425%0.252CS..Hα-helixtrans-66-37.1176.3171.10000111.4T788 E789 A823 L824 Q825 L831T788-V827 WeakPolarHBondContact OG1-CG1 3.29Å; E789-V827 HydrophobicContact CB-CG1 4Å; A823-V827 VanDerWaalsContact O-CG2 3.32Å; A823-V827 WeakPolarHBondContact O-CG2 3.28Å; A823-V827 PolarHBondContact O-N 3.08Å; A823-V827 VanDerWaalsContact O-N 3.16Å; L824-V827 PolarHBondContact O-N 3.47Å; Q825-V827 PolarHBondContact O-N 2.99Å; V827-L831 VanDerWaalsContact O-CB 3.24Å; V827-L831 WeakPolarHBondContact O-CB 3.29Å; V827-L831 PolarHBondContact O-N 3.16Å
828R86.9Confident80.7Confident99 Ų9940.9 Ų40.937%0.37422%0.219SC..Hα-helixtrans-64-44.2174-77.9175.9-175.1167.41.4111.5E789 L824 Q825 E826 L831 Q832E789-R828 HydrophobicContact CG-CG 3.98Å; E789-R828 IonicContact OE1-NE 3.68Å; L824-R828 WeakPolarHBondContact O-CG 3.48Å; L824-R828 PolarHBondContact O-N 2.78Å; Q825-R828 WeakPolarHBondContact O-CB 3.43Å; Q825-R828 PolarHBondContact O-N 3.39Å; E826-R828 VanDerWaalsContact C-N 3.34Å; R828-L831 WeakPolarHBondContact O-CB 3.28Å; R828-L831 PolarHBondContact O-N 3.46Å; R828-Q832 WeakPolarHBondContact O-CG 3.32Å; R828-Q832 PolarHBondContact O-N 3.23Å
829D86.7Confident82.8Confident13 Ų1333.9 Ų33.97%0.0718%0.183CC..Hα-helixtrans-65.5-43.1180-64.5-13000110.6A631 Q825 E826 L831 Q832 L833 T889A631-D829 HydrophobicContact CB-CB 4.13Å; A631-D829 VanDerWaalsContact CB-O 3.24Å; A631-D829 WeakPolarHBondContact CB-O 3.3Å; Q825-D829 PolarHBondContact NE2-OD1 3.22Å; Q825-D829 VanDerWaalsContact O-CG 3.24Å; Q825-D829 PolarHBondContact O-N 3.01Å; E826-D829 PolarHBondContact O-N 3.1Å; D829-L831 PolarHBondContact O-N 3.41Å; D829-Q832 PolarHBondContact O-N 3.39Å; D829-L833 PolarHBondContact O-N 3.16Å; D829-L833 VanDerWaalsContact O-N 3.08Å; D829-T889 HydrophobicContact CB-CG2 4.05Å
830D87.5Confident84.5Confident1 Ų130.5 Ų30.51%0.00517%0.166CC..Hα-helixtrans-61.6-42.4173.2-72.5-28.9000111.1R740 L785 E826 Q832 L833 H834 N888 T889R740-D830 IonicContact CZ-OD2 3.97Å; R740-D830 IonicContact NE-OD2 3.37Å; R740-D830 PolarHBondContact NE-OD2 3.21Å; R740-D830 VanDerWaalsContact NE-OD2 3.15Å; R740-D830 IonicContact NH2-OD1 2.72Å; R740-D830 IonicContact NH2-OD2 3.12Å; L785-D830 HydrophobicContact CD2-CB 4.2Å; E826-D830 WeakPolarHBondContact O-CB 3.43Å; E826-D830 PolarHBondContact O-N 2.86Å; D830-Q832 PolarHBondContact O-N 2.89Å; D830-L833 PolarHBondContact O-N 3.44Å; D830-H834 PolarHBondContact O-CD2 3.37Å; D830-H834 PolarHBondContact O-N 3.26Å; D830-N888 WeakPolarHBondContact OD1-CA 3.32Å; D830-T889 PolarHBondContact OD1-N 3Å; D830-T889 PolarHBondContact OD1-OG1 3.29Å
831L88.3Confident86Confident8 Ų827.2 Ų27.24%0.04214%0.142CC..Hα-helixtrans-60.9-42.1175.8177.264000112.3V781 L785 Q786 E789 V827 R828 D829 H834 L835V781-L831 HydrophobicContact CG1-CD1 4.01Å; L785-L831 HydrophobicContact CB-CB 4.28Å; L785-L831 HydrophobicContact CB-CD1 3.83Å; Q786-L831 HydrophobicContact CB-CD1 4.28Å; E789-L831 HydrophobicContact CB-CD2 4.4Å; E789-L831 HydrophobicContact CG-CD2 4.39Å; V827-L831 VanDerWaalsContact O-CB 3.24Å; V827-L831 WeakPolarHBondContact O-CB 3.29Å; V827-L831 PolarHBondContact O-N 3.16Å; R828-L831 WeakPolarHBondContact O-CB 3.28Å; R828-L831 PolarHBondContact O-N 3.46Å; D829-L831 PolarHBondContact O-N 3.41Å; L831-H834 PolarHBondContact O-N 3.34Å; L831-L835 HydrophobicContact CD1-CD1 4.23Å; L831-L835 HydrophobicContact CD1-CG 4.24Å; L831-L835 HydrophobicContact CG-CD1 4.08Å; L831-L835 WeakPolarHBondContact O-CB 3.3Å; L831-L835 VanDerWaalsContact O-CG 3.25Å; L831-L835 WeakPolarHBondContact O-CG 3.42Å; L831-L835 PolarHBondContact O-N 2.91Å
832Q89.6Confident86.9Confident29 Ų2922.4 Ų22.414%0.13612%0.121CC..Hα-helixtrans-65-43.2177.8-68.4-56.7-30.800112.2A631 D633 R828 D829 D830 L835 S836A631-Q832 HydrophobicContact CB-CB 3.96Å; D633-Q832 PolarHBondContact OD1-NE2 2.82Å; D633-Q832 PolarHBondContact OD1-OE1 3.5Å; R828-Q832 WeakPolarHBondContact O-CG 3.32Å; R828-Q832 PolarHBondContact O-N 3.23Å; D829-Q832 PolarHBondContact O-N 3.39Å; D830-Q832 PolarHBondContact O-N 2.89Å; Q832-L835 PolarHBondContact O-N 2.97Å; Q832-S836 PolarHBondContact O-N 3.16Å; Q832-S836 VanDerWaalsContact O-N 3.15Å
833L88.9Confident87.7Confident3 Ų322 Ų222%0.01611%0.111CC..Hα-helixtrans-58.7-51.9174.9176.162.4000110.9I625 D829 D830 L835 S836 L837 T889I625-L833 HydrophobicContact CD1-CD1 4.02Å; I625-L833 HydrophobicContact CD1-CD2 4.48Å; D829-L833 PolarHBondContact O-N 3.16Å; D829-L833 VanDerWaalsContact O-N 3.08Å; D830-L833 PolarHBondContact O-N 3.44Å; L833-L835 VanDerWaalsContact C-N 3.34Å; L833-L835 PolarHBondContact O-N 2.99Å; L833-S836 WeakPolarHBondContact O-CB 3.36Å; L833-S836 PolarHBondContact O-N 2.92Å; L833-S836 VanDerWaalsContact O-N 3.11Å; L833-S836 PolarHBondContact O-OG 3.29Å; L833-L837 HydrophobicContact CD1-CD1 4.3Å; L833-L837 HydrophobicContact CD1-CG 4.42Å; L833-L837 HydrophobicContact CG-CD1 4.2Å; L833-L837 WeakPolarHBondContact O-CG 3.4Å; L833-L837 PolarHBondContact O-N 2.79Å; L833-T889 HydrophobicContact CB-CG2 4.3Å; L833-T889 HydrophobicContact CD2-CG2 4.1Å
834H89.6Confident88.5Confident0 Ų020.2 Ų20.20%010%0.096CC..Hα-helixtrans-67.3-30.2-178.5-80.3-77.1000113.6H777 V781 L785 D830 L831 S836 L837 A838 L884 I885 C887H777-H834 AromaticContact CE1-ND1 3.42Å; H777-H834 PolarHBondContact CE1-ND1 3.03Å; H777-H834 AromaticContact NE2-ND1 3.58Å; V781-H834 HydrophobicContact CG2-CB 3.93Å; L785-H834 HydrophobicContact CD1-CB 3.73Å; L785-H834 WeakPolarHBondContact CD1-CD2 3.41Å; D830-H834 PolarHBondContact O-CD2 3.37Å; D830-H834 PolarHBondContact O-N 3.26Å; L831-H834 PolarHBondContact O-N 3.34Å; H834-S836 VanDerWaalsContact C-N 3.35Å; H834-L837 PolarHBondContact O-N 3.03Å; H834-A838 WeakPolarHBondContact O-CB 3.29Å; H834-A838 PolarHBondContact O-N 3.48Å; H834-L884 PolarHBondContact CE1-O 3.37Å; H834-I885 PolarHBondContact CE1-O 3.33Å; H834-C887 PolarHBondContact CE1-O 2.72Å; H834-C887 PolarHBondContact NE2-O 2.71Å
835L89.4Confident89Confident2 Ų220.4 Ų20.41%0.0110%0.1CC..Hα-helixtrans-63.3-41.1170.6-77.4169.2000111.6M634 V723 V781 L831 Q832 L833 A838 T839M634-L835 WeakPolarHBondContact CE-O 3.46Å; M634-L835 HydrophobicContact SD-CB 3.76Å; V723-L835 HydrophobicContact CG2-CD2 4.24Å; V781-L835 HydrophobicContact CG1-CD2 3.78Å; V781-L835 HydrophobicContact CG1-CG 4.13Å; L831-L835 HydrophobicContact CD1-CD1 4.23Å; L831-L835 HydrophobicContact CD1-CG 4.24Å; L831-L835 HydrophobicContact CG-CD1 4.08Å; L831-L835 WeakPolarHBondContact O-CB 3.3Å; L831-L835 VanDerWaalsContact O-CG 3.25Å; L831-L835 WeakPolarHBondContact O-CG 3.42Å; L831-L835 PolarHBondContact O-N 2.91Å; Q832-L835 PolarHBondContact O-N 2.97Å; L833-L835 VanDerWaalsContact C-N 3.34Å; L833-L835 PolarHBondContact O-N 2.99Å; L835-A838 PolarHBondContact O-N 2.89Å; L835-T839 PolarHBondContact O-N 3.35Å; L835-T839 PolarHBondContact O-OG1 3.39Å
836S89.3Confident89.5Confident7 Ų722.3 Ų22.35%0.04912%0.115CC..Hα-helixtrans-66.1-41.8176.277.40000112.6Q832 L833 H834 T839 L840Q832-S836 PolarHBondContact O-N 3.16Å; Q832-S836 VanDerWaalsContact O-N 3.15Å; L833-S836 WeakPolarHBondContact O-CB 3.36Å; L833-S836 PolarHBondContact O-N 2.92Å; L833-S836 VanDerWaalsContact O-N 3.11Å; L833-S836 PolarHBondContact O-OG 3.29Å; H834-S836 VanDerWaalsContact C-N 3.35Å; S836-T839 PolarHBondContact O-N 3.21Å; S836-T839 PolarHBondContact O-OG1 2.88Å; S836-L840 PolarHBondContact O-N 3.29Å
837L90.5Very high89.8Confident2 Ų219.8 Ų19.81%0.0110%0.104CC..Hα-helixtrans-67.2-40.3176.2-64.9177000111.8L833 H834 T839 L840 L841 L884 L934L833-L837 HydrophobicContact CD1-CD1 4.3Å; L833-L837 HydrophobicContact CD1-CG 4.42Å; L833-L837 HydrophobicContact CG-CD1 4.2Å; L833-L837 WeakPolarHBondContact O-CG 3.4Å; L833-L837 PolarHBondContact O-N 2.79Å; H834-L837 PolarHBondContact O-N 3.03Å; L837-T839 VanDerWaalsContact C-N 3.32Å; L837-T839 PolarHBondContact O-N 2.65Å; L837-L840 PolarHBondContact O-N 2.67Å; L837-L840 VanDerWaalsContact O-N 3.15Å; L837-L841 WeakPolarHBondContact O-CB 3Å; L837-L841 WeakPolarHBondContact O-CG 3.24Å; L837-L841 PolarHBondContact O-N 2.94Å; L837-L884 HydrophobicContact CD1-CD2 4.46Å; L837-L884 HydrophobicContact CD2-CD1 4.46Å; L837-L934 HydrophobicContact CD2-CD2 3.66Å
838A91.6Very high90.2Very high3 Ų319.9 Ų19.93%0.02511%0.105CC..Hα-helixtrans-59.2-41.5176.200000111.9L719 V781 H834 L835 L840 L841 L842L719-A838 HydrophobicContact CD2-CB 4.14Å; V781-A838 HydrophobicContact CG2-CB 4.29Å; H834-A838 WeakPolarHBondContact O-CB 3.29Å; H834-A838 PolarHBondContact O-N 3.48Å; L835-A838 PolarHBondContact O-N 2.89Å; A838-L840 VanDerWaalsContact C-N 3.34Å; A838-L840 PolarHBondContact O-N 3.32Å; A838-L841 PolarHBondContact O-N 3.39Å; A838-L842 WeakPolarHBondContact O-CB 3.28Å; A838-L842 WeakPolarHBondContact O-CG 3.29Å; A838-L842 PolarHBondContact O-N 2.98Å
839T90.3Very high90.5Very high16 Ų1616.9 Ų16.910%0.09810%0.102CC..Hα-helixtrans-63.2-37.9175.1410000113.7M634 L719 L835 S836 L837M634-T839 HydrophobicContact CE-CG2 3.25Å; M634-T839 VanDerWaalsContact CE-OG1 3.31Å; M634-T839 WeakPolarHBondContact CE-OG1 3.47Å; L719-T839 HydrophobicContact CD2-CG2 3.52Å; L835-T839 PolarHBondContact O-N 3.35Å; L835-T839 PolarHBondContact O-OG1 3.39Å; S836-T839 PolarHBondContact O-N 3.21Å; S836-T839 PolarHBondContact O-OG1 2.88Å; L837-T839 VanDerWaalsContact C-N 3.32Å; L837-T839 PolarHBondContact O-N 2.65Å
840L91.5Very high90.7Very high1 Ų117.1 Ų17.11%0.00510%0.104CC..Hα-helixtrans-71.2-37.7176.9-73.1177.7000112.4L614 C618 S836 L837 A838 L843 P844 L927 L931L614-L840 HydrophobicContact CB-CD2 3.71Å; C618-L840 HydrophobicContact CB-CD1 3.56Å; S836-L840 PolarHBondContact O-N 3.29Å; L837-L840 PolarHBondContact O-N 2.67Å; L837-L840 VanDerWaalsContact O-N 3.15Å; A838-L840 VanDerWaalsContact C-N 3.34Å; A838-L840 PolarHBondContact O-N 3.32Å; L840-L843 PolarHBondContact O-N 3.33Å; L840-P844 WeakPolarHBondContact O-CD 3.14Å; L840-L927 HydrophobicContact CD2-CD2 3.94Å; L840-L931 HydrophobicContact CD1-CD2 4.37Å
841L91.8Very high90.9Very high2 Ų217.5 Ų17.51%0.0111%0.107CC..Hα-helixtrans-75.5-29.1179.8-69174.7000113S774 H777 L837 A838 L843 P844 L877 S881 L931S774-L841 PolarHBondContact OG-O 3.31Å; H777-L841 HydrophobicContact CB-CD1 4.21Å; L837-L841 WeakPolarHBondContact O-CB 3Å; L837-L841 WeakPolarHBondContact O-CG 3.24Å; L837-L841 PolarHBondContact O-N 2.94Å; A838-L841 PolarHBondContact O-N 3.39Å; L841-L843 VanDerWaalsContact C-N 3.27Å; L841-L843 PolarHBondContact O-N 2.94Å; L841-P844 WeakPolarHBondContact O-CD 3.46Å; L841-L877 HydrophobicContact CD2-CD1 4.46Å; L841-S881 WeakPolarHBondContact CD2-OG 3.38Å; L841-L931 HydrophobicContact CD2-CD1 3.88Å
842L91.9Very high91.1Very high55 Ų5519.2 Ų19.229%0.28812%0.116SC..Hα-helixtrans-67.6-27.6174-77.7168.7000112.7L719 A838 A845 V846L719-L842 HydrophobicContact CD1-CD1 3.9Å; L719-L842 HydrophobicContact CD2-CD1 4.06Å; A838-L842 WeakPolarHBondContact O-CB 3.28Å; A838-L842 WeakPolarHBondContact O-CG 3.29Å; A838-L842 PolarHBondContact O-N 2.98Å; L842-A845 WeakPolarHBondContact O-CB 3.42Å; L842-A845 PolarHBondContact O-N 3.26Å; L842-V846 WeakPolarHBondContact O-CG2 3.44Å; L842-V846 PolarHBondContact O-N 2.99Å
843L92.3Very high91.2Very high24 Ų2422.6 Ų22.613%0.12613%0.134CC..Hα-helixtrans-64.7-49-176177.865.8000112.9S611 L840 L841 A845 V846 L847 I923 L927S611-L843 WeakPolarHBondContact OG-CD2 3.36Å; L840-L843 PolarHBondContact O-N 3.33Å; L841-L843 VanDerWaalsContact C-N 3.27Å; L841-L843 PolarHBondContact O-N 2.94Å; L843-A845 VanDerWaalsContact C-N 3.29Å; L843-A845 PolarHBondContact O-N 3.3Å; L843-V846 PolarHBondContact O-N 3.46Å; L843-L847 HydrophobicContact CD1-CD1 4.46Å; L843-L847 HydrophobicContact CG-CD1 4.38Å; L843-L847 WeakPolarHBondContact O-CG 3.11Å; L843-L847 PolarHBondContact O-N 3.18Å; L843-I923 HydrophobicContact CD2-CG2 4.01Å; L843-I923 HydrophobicContact CG-CG2 4.5Å; L843-L927 HydrophobicContact CB-CD1 4.38Å; L843-L927 HydrophobicContact CD2-CD1 3.67Å; L843-L927 HydrophobicContact CG-CD1 4.13Å
844P92.2Very high91.3Very high0 Ų022.8 Ų22.80%014%0.135CC..Hα-helixtrans-57.3-36.5169.2-27.734000114.4I770 L840 L841 L847 S848 L877 V924 L927I770-P844 HydrophobicContact CG2-CB 4.2Å; L840-P844 WeakPolarHBondContact O-CD 3.14Å; L841-P844 WeakPolarHBondContact O-CD 3.46Å; P844-L847 PolarHBondContact O-N 3.39Å; P844-S848 WeakPolarHBondContact O-CB 3.39Å; P844-S848 PolarHBondContact O-N 3.47Å; P844-S848 PolarHBondContact O-OG 3.33Å; P844-L877 HydrophobicContact CB-CD2 3.66Å; P844-L877 HydrophobicContact CG-CD1 4.27Å; P844-L877 HydrophobicContact CG-CD2 4.08Å; P844-V924 HydrophobicContact CB-CG1 4.28Å; P844-V924 HydrophobicContact CB-CG2 4.16Å; P844-V924 HydrophobicContact CG-CG1 4.41Å; P844-V924 HydrophobicContact CG-CG2 4.47Å; P844-L927 HydrophobicContact CG-CD1 3.86Å
845A92.1Very high91.5Very high18 Ų1824.4 Ų24.415%0.14914%0.141CC..Hα-helixtrans-65.3-39.1176.400000112.2I770 L842 L843 S848 A849I770-A845 HydrophobicContact CG2-CB 4.12Å; L842-A845 WeakPolarHBondContact O-CB 3.42Å; L842-A845 PolarHBondContact O-N 3.26Å; L843-A845 VanDerWaalsContact C-N 3.29Å; L843-A845 PolarHBondContact O-N 3.3Å; A845-S848 PolarHBondContact O-OG 3.48Å; A845-A849 PolarHBondContact O-N 3.42Å; A845-A849 VanDerWaalsContact O-N 3.13Å
846V91.8Very high91.6Very high103 Ų10326.7 Ų26.762%0.62416%0.157SC*.Hα-helixtrans-68.2-44.1174.8172.80000111.3L842 L843 S848 A849L842-V846 WeakPolarHBondContact O-CG2 3.44Å; L842-V846 PolarHBondContact O-N 2.99Å; L843-V846 PolarHBondContact O-N 3.46Å; V846-S848 VanDerWaalsContact C-N 3.29Å; V846-S848 PolarHBondContact O-N 3.38Å; V846-A849 WeakPolarHBondContact O-CB 3.35Å; V846-A849 PolarHBondContact O-N 3.08Å
847L90.7Very high91.6Very high25 Ų2533.6 Ų33.613%0.13118%0.182CC..Hα-helixtrans-65.5-31.8179.4-69.7173.9000112.5L843 P844 I923 V924L843-L847 HydrophobicContact CD1-CD1 4.46Å; L843-L847 HydrophobicContact CG-CD1 4.38Å; L843-L847 WeakPolarHBondContact O-CG 3.11Å; L843-L847 PolarHBondContact O-N 3.18Å; P844-L847 PolarHBondContact O-N 3.39Å; L847-I923 HydrophobicContact CD1-CB 3.88Å; L847-I923 HydrophobicContact CD1-CD1 4.17Å; L847-I923 HydrophobicContact CD1-CG2 3.91Å; L847-V924 HydrophobicContact CD1-CG2 4.11Å
848S91.9Very high91.4Very high6 Ų634.2 Ų34.24%0.04219%0.187CC..Hα-helixtrans-89.8-5.5178.558.90000114.5A767 P844 A845 V846 P850 S851 L852 C870A767-S848 WeakPolarHBondContact CB-O 3.32Å; P844-S848 WeakPolarHBondContact O-CB 3.39Å; P844-S848 PolarHBondContact O-N 3.47Å; P844-S848 PolarHBondContact O-OG 3.33Å; A845-S848 PolarHBondContact O-OG 3.48Å; V846-S848 VanDerWaalsContact C-N 3.29Å; V846-S848 PolarHBondContact O-N 3.38Å; S848-P850 VanDerWaalsContact C-CD 3.42Å; S848-P850 VanDerWaalsContact C-N 3.33Å; S848-S851 WeakPolarHBondContact O-CB 3.43Å; S848-S851 PolarHBondContact O-N 3.14Å; S848-S851 VanDerWaalsContact O-N 3.14Å; S848-L852 PolarHBondContact O-N 3.32Å; S848-C870 WeakPolarHBondContact CB-SG 3.43Å
849A92.3Very high91.2Very high36 Ų3637.9 Ų37.930%0.29821%0.206SC..Hα-helixtrans-55.3-37.8-178.700000114.2A845 V846 S851 L852 L853A845-A849 PolarHBondContact O-N 3.42Å; A845-A849 VanDerWaalsContact O-N 3.13Å; V846-A849 WeakPolarHBondContact O-CB 3.35Å; V846-A849 PolarHBondContact O-N 3.08Å; A849-S851 PolarHBondContact O-N 2.96Å; A849-L852 WeakPolarHBondContact O-CB 3.38Å; A849-L852 PolarHBondContact O-N 3.2Å; A849-L853 WeakPolarHBondContact O-CG 3.43Å; A849-L853 PolarHBondContact O-N 2.85Å
850P91.2Very high91Very high19 Ų1948.1 Ų48.112%0.12324%0.242CC..Hα-helixtrans-61.9-39.3176.8-26.538.4000113.8L130 L206 S848 L852 L853 H854L130-P850 HydrophobicContact CB-CB 3.69Å; L130-P850 HydrophobicContact CB-CG 4.32Å; L130-P850 HydrophobicContact CD1-CB 4.11Å; L130-P850 HydrophobicContact CD1-CG 4.28Å; L206-P850 HydrophobicContact CD1-CG 4.01Å; S848-P850 VanDerWaalsContact C-CD 3.42Å; S848-P850 VanDerWaalsContact C-N 3.33Å; P850-L852 VanDerWaalsContact C-N 3.35Å; P850-L853 PolarHBondContact O-N 3.07Å; P850-H854 WeakPolarHBondContact O-CB 3.37Å; P850-H854 PolarHBondContact O-N 2.87Å
851S91.6Very high90.8Very high8 Ų852.5 Ų52.56%0.05626%0.262CS..Hα-helixtrans-63.2-41.7175.2-55.50000111.4S848 A849 H854 W855S848-S851 WeakPolarHBondContact O-CB 3.43Å; S848-S851 PolarHBondContact O-N 3.14Å; S848-S851 VanDerWaalsContact O-N 3.14Å; A849-S851 PolarHBondContact O-N 2.96Å; S851-H854 PolarHBondContact O-N 2.8Å; S851-W855 WeakPolarHBondContact O-CB 3.5Å; S851-W855 PolarHBondContact O-N 3.29Å
852L92.6Very high90.4Very high44 Ų4455.4 Ų55.423%0.2328%0.281CS..Hα-helixtrans-62.9-44.7175.6-178.362.9000111.7A767 L768 A771 S848 A849 P850 W855 S856A767-L852 HydrophobicContact CB-CB 3.9Å; L768-L852 HydrophobicContact CB-CD1 3.85Å; L768-L852 HydrophobicContact CD1-CD1 4.03Å; A771-L852 HydrophobicContact CB-CD2 4.35Å; S848-L852 PolarHBondContact O-N 3.32Å; A849-L852 WeakPolarHBondContact O-CB 3.38Å; A849-L852 PolarHBondContact O-N 3.2Å; P850-L852 VanDerWaalsContact C-N 3.35Å; L852-W855 HydrophobicContact CD1-CE3 3.93Å; L852-W855 HydrophobicContact CD1-CZ3 4.16Å; L852-W855 PolarHBondContact O-N 3.28Å; L852-S856 WeakPolarHBondContact O-CB 3.25Å; L852-S856 PolarHBondContact O-N 2.88Å
853L92.3Very high90.1Very high100 Ų10057.8 Ų57.852%0.52430%0.298SS..Hα-helixtrans-63.9-43.9177.5-72.3172.6000111.6L127 A849 P850 S856 R857L127-L853 HydrophobicContact CD1-CB 3.94Å; A849-L853 WeakPolarHBondContact O-CG 3.43Å; A849-L853 PolarHBondContact O-N 2.85Å; P850-L853 PolarHBondContact O-N 3.07Å; L853-S856 PolarHBondContact O-N 3.39Å; L853-S856 PolarHBondContact O-OG 3.47Å; L853-R857 PolarHBondContact O-N 3Å
854H91.4Very high90Very high8 Ų862.6 Ų62.64%0.03732%0.315CS..Hα-helixtrans-58.3-53.1175.5-179.496.9000110.9Y131 S134 P850 S851 S856 R857 S858Y131-H854 AromaticContact CD1-CD2 3.81Å; Y131-H854 AromaticContact CD1-CE1 3.59Å; Y131-H854 AromaticContact CD1-CG 3.76Å; Y131-H854 AromaticContact CD1-ND1 3.61Å; Y131-H854 AromaticContact CD1-NE2 3.74Å; Y131-H854 AromaticContact CE1-CD2 3.8Å; Y131-H854 AromaticContact CE1-CE1 3.86Å; Y131-H854 AromaticContact CE1-NE2 3.58Å; S134-H854 PolarHBondContact OG-CE1 2.97Å; S134-H854 VanDerWaalsContact OG-CE1 3.32Å; S134-H854 PolarHBondContact OG-NE2 3.44Å; P850-H854 WeakPolarHBondContact O-CB 3.37Å; P850-H854 PolarHBondContact O-N 2.87Å; S851-H854 PolarHBondContact O-N 2.8Å; H854-S856 VanDerWaalsContact C-N 3.34Å; H854-S856 PolarHBondContact O-N 3.18Å; H854-R857 PolarHBondContact O-N 2.74Å; H854-S858 PolarHBondContact O-N 2.73Å; H854-S858 PolarHBondContact O-OG 3.07Å
855W92.5Very high89.9Confident34 Ų3463 Ų6313%0.12932%0.317CS..Hα-helixtrans-56.6-46177.9169.978.4000112S764 C765 L768 S851 L852 R857 S858 L859 T863 L865S764-W855 VanDerWaalsContact CB-CZ2 3.49Å; C765-W855 HydrophobicContact CB-CB 4.14Å; C765-W855 HydrophobicContact CB-CD2 3.94Å; C765-W855 HydrophobicContact CB-CE3 4.42Å; C765-W855 HydrophobicContact CB-CG 3.79Å; L768-W855 HydrophobicContact CD2-CH2 4Å; L768-W855 HydrophobicContact CD2-CZ3 4.27Å; S851-W855 WeakPolarHBondContact O-CB 3.5Å; S851-W855 PolarHBondContact O-N 3.29Å; L852-W855 HydrophobicContact CD1-CE3 3.93Å; L852-W855 HydrophobicContact CD1-CZ3 4.16Å; L852-W855 PolarHBondContact O-N 3.28Å; W855-R857 VanDerWaalsContact C-N 3.25Å; W855-R857 PolarHBondContact O-N 3.42Å; W855-S858 CarbonylContact O-C 3.57Å; W855-S858 PolarHBondContact O-N 3.39Å; W855-L859 HydrophobicContact CD2-CD2 4.23Å; W855-L859 HydrophobicContact CH2-CD2 3.93Å; W855-L859 HydrophobicContact CZ2-CD2 3.38Å; W855-L859 HydrophobicContact CZ2-CG 4.39Å; W855-L859 PolarHBondContact O-N 2.83Å; W855-L859 VanDerWaalsContact O-N 3.1Å; W855-T863 PolarHBondContact NE1-O 3.3Å; W855-L865 HydrophobicContact CB-CB 4.42Å; W855-L865 HydrophobicContact CB-CD1 4.25Å
856S91.4Very high89.6Confident50 Ų5068.1 Ų68.135%0.3534%0.342SS..Hα-helixtrans-59.2-34-178.8750000113.6L852 L853 H854 L859L852-S856 WeakPolarHBondContact O-CB 3.25Å; L852-S856 PolarHBondContact O-N 2.88Å; L853-S856 PolarHBondContact O-N 3.39Å; L853-S856 PolarHBondContact O-OG 3.47Å; H854-S856 VanDerWaalsContact C-N 3.34Å; H854-S856 PolarHBondContact O-N 3.18Å; S856-L859 WeakPolarHBondContact O-CD1 3.41Å
857R88.8Confident89.5Confident151 Ų15164.7 Ų64.757%0.5732%0.322SS*.Hα-helixtrans-76.7-30.5176.6-75.2-176.3151.5177.2-6.6112.7L853 H854 W855L853-R857 PolarHBondContact O-N 3Å; H854-R857 PolarHBondContact O-N 2.74Å; W855-R857 VanDerWaalsContact C-N 3.25Å; W855-R857 PolarHBondContact O-N 3.42Å
858S86.6Confident89.5Confident15 Ų1564.5 Ų64.511%0.10532%0.321CS..Hα-helixtrans-89.9-0.1-177.6-61.20000114.3H854 W855 R860 F861 C862H854-S858 PolarHBondContact O-N 2.73Å; H854-S858 PolarHBondContact O-OG 3.07Å; W855-S858 CarbonylContact O-C 3.57Å; W855-S858 PolarHBondContact O-N 3.39Å; S858-R860 PolarHBondContact O-N 3.45Å; S858-F861 PolarHBondContact O-N 3.05Å; S858-C862 PolarHBondContact O-N 2.86Å
859L87.1Confident89.3Confident81 Ų8164.9 Ų64.942%0.42432%0.323SS..THydrogen-bonded Turntrans-50.1-29.3-180-82.3174.6000114.9W855 S856 F861W855-L859 HydrophobicContact CD2-CD2 4.23Å; W855-L859 HydrophobicContact CH2-CD2 3.93Å; W855-L859 HydrophobicContact CZ2-CD2 3.38Å; W855-L859 HydrophobicContact CZ2-CG 4.39Å; W855-L859 PolarHBondContact O-N 2.83Å; W855-L859 VanDerWaalsContact O-N 3.1Å; S856-L859 WeakPolarHBondContact O-CD1 3.41Å; L859-F861 PolarHBondContact O-N 2.92Å
860R87.6Confident89.1Confident230 Ų23063.4 Ų63.487%0.86831%0.311SS*.THydrogen-bonded Turntrans-69.1-23.2178.4-64-176.2-174.9-177.51.5113.3S858S858-R860 PolarHBondContact O-N 3.45Å
861F85.9Confident88.9Confident94 Ų9466.6 Ų66.641%0.41232%0.32SS..THydrogen-bonded Turntrans-112.6-35.6-173.1-55.7-70.1000112.5A58 N124 S858 L859A58-F861 HydrophobicContact CB-CD1 4.02Å; A58-F861 HydrophobicContact CB-CD2 3.76Å; A58-F861 HydrophobicContact CB-CE1 4.11Å; A58-F861 HydrophobicContact CB-CE2 3.86Å; A58-F861 HydrophobicContact CB-CG 3.84Å; A58-F861 HydrophobicContact CB-CZ 4.03Å; N124-F861 WeakPolarHBondContact ND2-CE2 3.44Å; S858-F861 PolarHBondContact O-N 3.05Å; L859-F861 PolarHBondContact O-N 2.92Å
862C83.8Confident88.6Confident63 Ų6373 Ų7343%0.42635%0.353SS..  trans-141.2135.2178.7-159.20000110.9S858 R864S858-C862 PolarHBondContact O-N 2.86Å; C862-R864 PolarHBondContact SG-O 2.89Å
863T87.1Confident88.5Confident105 Ų10571.7 Ų71.764%0.64435%0.346SS*.SBendtrans-82.4-28.9176.850.60000112.3W855W855-T863 PolarHBondContact NE1-O 3.3Å
864R90.1Very high88.4Confident124 Ų12467 Ų6747%0.46832%0.321SS..SBendtrans-107.9137.2179.2-176.2178.4175.5-169.7-1.4110.9S762 S764 C862 D866S762-R864 WeakPolarHBondContact O-CD 3.27Å; S762-R864 PolarHBondContact O-NE 2.87Å; S764-R864 WeakPolarHBondContact O-CA 3.44Å; C862-R864 PolarHBondContact SG-O 2.89Å; R864-D866 PolarHBondContact O-N 3.01Å
865L89.3Confident88.4Confident9 Ų968.9 Ų68.95%0.04733%0.333CS..  trans-75.2121169.2-171.264.7000109.3Y131 S764 C765 W855 D868Y131-L865 HydrophobicContact CE1-CD1 4.26Å; Y131-L865 HydrophobicContact CE2-CD1 4.16Å; Y131-L865 HydrophobicContact CE2-CD2 4.09Å; Y131-L865 HydrophobicContact CE2-CG 4.27Å; Y131-L865 WeakPolarHBondContact OH-CD1 3.45Å; S764-L865 PolarHBondContact O-N 3.18Å; C765-L865 HydrophobicContact CB-CB 4.22Å; W855-L865 HydrophobicContact CB-CB 4.42Å; W855-L865 HydrophobicContact CB-CD1 4.25Å; L865-D868 HydrophobicContact CB-CB 4.32Å; L865-D868 HydrophobicContact CD2-CB 4.39Å; L865-D868 HydrophobicContact CG-CB 4.4Å
866D86.1Confident88.4Confident125 Ų12569.7 Ų69.767%0.66834%0.343SS*.SBendtrans-137.4120.7178.4-169.617.6000110.2R864R864-D866 PolarHBondContact O-N 3.01Å
867P89.6Confident88.5Confident31 Ų3167.4 Ų67.420%0.20133%0.327CS..SBendcis-78137.5-6.933-36.1000113.3Y131 Y209 P869Y131-P867 WeakPolarHBondContact CE2-O 3.41Å; Y131-P867 PolarHBondContact OH-O 3.31Å; Y209-P867 HydrophobicContact CD1-CG 4.15Å; Y209-P867 HydrophobicContact CD2-CB 4.39Å; Y209-P867 HydrophobicContact CD2-CG 4.02Å; Y209-P867 HydrophobicContact CE1-CB 3.95Å; Y209-P867 HydrophobicContact CE1-CG 4.05Å; Y209-P867 HydrophobicContact CE2-CB 3.76Å; Y209-P867 HydrophobicContact CE2-CG 3.9Å; Y209-P867 HydrophobicContact CG-CG 4.14Å; P867-P869 VanDerWaalsContact O-CD 3.3Å; P867-P869 WeakPolarHBondContact O-CD 3.35Å
868D89.7Confident88.6Confident21 Ų2160.2 Ų60.211%0.11230%0.3CS..  trans-90.1111.3177-176.2-0.2000112.3G766 L865 C870 W871G766-D868 WeakPolarHBondContact CA-OD2 3.26Å; G766-D868 PolarHBondContact N-OD2 2.57Å; L865-D868 HydrophobicContact CB-CB 4.32Å; L865-D868 HydrophobicContact CD2-CB 4.39Å; L865-D868 HydrophobicContact CG-CB 4.4Å; D868-C870 PolarHBondContact O-N 2.91Å; D868-C870 WeakPolarHBondContact OD1-CA 3.5Å; D868-C870 WeakPolarHBondContact OD1-CB 3.47Å; D868-C870 PolarHBondContact OD1-N 3.16Å; D868-W871 HydrophobicContact CB-CB 4Å
869P88.2Confident88.8Confident14 Ų1462 Ų629%0.09131%0.312CS..THydrogen-bonded Turntrans-68.8-20.817929.5-36.5000112.9Y131 D207 Y209 P867 H873Y131-P869 HydrophobicContact CD2-CG 4.37Å; Y131-P869 HydrophobicContact CE2-CG 4.31Å; D207-P869 HydrophobicContact CB-CB 3.92Å; D207-P869 HydrophobicContact CB-CG 4.2Å; Y209-P869 HydrophobicContact CD2-CB 4.21Å; Y209-P869 HydrophobicContact CE2-CB 4.02Å; P867-P869 VanDerWaalsContact O-CD 3.3Å; P867-P869 WeakPolarHBondContact O-CD 3.35Å; P869-H873 PolarHBondContact O-CE1 3.49Å; P869-H873 PolarHBondContact O-ND1 3.49Å
870C89.1Confident89Confident6 Ų658.5 Ų58.54%0.04129%0.294CS..THydrogen-bonded Turntrans-89-19.7-175.6-67.50000113.7I770 S848 D868 L872 H873 S874I770-C870 HydrophobicContact CD1-CB 4.17Å; S848-C870 WeakPolarHBondContact CB-SG 3.43Å; D868-C870 PolarHBondContact O-N 2.91Å; D868-C870 WeakPolarHBondContact OD1-CA 3.5Å; D868-C870 WeakPolarHBondContact OD1-CB 3.47Å; D868-C870 PolarHBondContact OD1-N 3.16Å; C870-L872 PolarHBondContact O-N 3.08Å; C870-H873 WeakPolarHBondContact CA-CE1 3.35Å; C870-H873 PolarHBondContact O-N 3.23Å; C870-S874 WeakPolarHBondContact O-CB 3.16Å; C870-S874 PolarHBondContact O-N 3.41Å; C870-S874 PolarHBondContact O-OG 3.35Å
871W86.6Confident89.2Confident86 Ų8647.6 Ų47.633%0.32625%0.253SS..Hα-helixtrans-56.5-45.3-169.9175.6-116.3000113.9A758 G761 D868 H873 S874 V875A758-W871 WeakPolarHBondContact O-CH2 3.24Å; A758-W871 WeakPolarHBondContact O-CZ3 3.28Å; G761-W871 VanDerWaalsContact C-CZ3 3.49Å; D868-W871 HydrophobicContact CB-CB 4Å; W871-H873 VanDerWaalsContact C-N 3.27Å; W871-H873 PolarHBondContact O-N 3.33Å; W871-S874 PolarHBondContact O-N 2.9Å; W871-S874 PolarHBondContact O-OG 2.92Å; W871-V875 HydrophobicContact CH2-CG2 3.87Å; W871-V875 HydrophobicContact CZ2-CG2 4.43Å; W871-V875 HydrophobicContact CZ3-CG2 4.11Å
872L85.6Confident89.3Confident141 Ų14143.4 Ų43.474%0.73824%0.235SC*.Hα-helixtrans-62.8-34-175.9-172.166.8000112.5C870C870-L872 PolarHBondContact O-N 3.08Å
873H88.8Confident89.5Confident17 Ų1743 Ų438%0.07923%0.228CC..Hα-helixtrans-103.7-12.1-176.958.4-100.7000113.7P869 C870 W871 V875 P876 L877 V924 L928P869-H873 PolarHBondContact O-CE1 3.49Å; P869-H873 PolarHBondContact O-ND1 3.49Å; C870-H873 WeakPolarHBondContact CA-CE1 3.35Å; C870-H873 PolarHBondContact O-N 3.23Å; W871-H873 VanDerWaalsContact C-N 3.27Å; W871-H873 PolarHBondContact O-N 3.33Å; H873-V875 PolarHBondContact O-N 3.31Å; H873-P876 WeakPolarHBondContact O-CD 3.47Å; H873-L877 VanDerWaalsContact O-CB 3.32Å; H873-L877 WeakPolarHBondContact O-CB 3.31Å; H873-L877 PolarHBondContact O-N 2.98Å; H873-L877 VanDerWaalsContact O-N 3.13Å; H873-V924 HydrophobicContact CB-CG1 4.41Å; H873-L928 HydrophobicContact CB-CD1 3.8Å
874S91.3Very high89.6Confident1 Ų138 Ų381%0.00720%0.197CC..Hα-helixtrans-64.1-39.4177.658.90000112.2C870 W871 L877 V878C870-S874 WeakPolarHBondContact O-CB 3.16Å; C870-S874 PolarHBondContact O-N 3.41Å; C870-S874 PolarHBondContact O-OG 3.35Å; W871-S874 PolarHBondContact O-N 2.9Å; W871-S874 PolarHBondContact O-OG 2.92Å; S874-L877 PolarHBondContact O-N 3.12Å; S874-V878 WeakPolarHBondContact O-CB 3.47Å; S874-V878 WeakPolarHBondContact O-CG2 3.4Å; S874-V878 PolarHBondContact O-N 3.4Å
875V91.6Very high89.4Confident49 Ų4932.3 Ų32.330%0.29718%0.176SC..Hα-helixtrans-66.3-53.2-179.5175.80000111.9A758 W871 H873 L877 V878 C879A758-V875 HydrophobicContact CB-CG2 4.11Å; W871-V875 HydrophobicContact CH2-CG2 3.87Å; W871-V875 HydrophobicContact CZ2-CG2 4.43Å; W871-V875 HydrophobicContact CZ3-CG2 4.11Å; H873-V875 PolarHBondContact O-N 3.31Å; V875-L877 VanDerWaalsContact C-N 3.29Å; V875-L877 PolarHBondContact O-N 3.3Å; V875-V878 PolarHBondContact O-N 2.66Å; V875-C879 WeakPolarHBondContact O-CB 3.43Å; V875-C879 PolarHBondContact O-N 3.28Å; V875-C879 PolarHBondContact O-SG 3.37Å
876P92.6Very high89.2Confident51 Ų5132.7 Ų32.733%0.33118%0.178SC..Hα-helixtrans-54.5-43.2173.5-26.833.9000113.1H873 C879 V880 L928H873-P876 WeakPolarHBondContact O-CD 3.47Å; P876-C879 PolarHBondContact O-N 3.35Å; P876-V880 WeakPolarHBondContact O-CB 3.34Å; P876-V880 VanDerWaalsContact O-CG2 3.28Å; P876-V880 WeakPolarHBondContact O-CG2 3.39Å; P876-V880 PolarHBondContact O-N 3.26Å; P876-L928 HydrophobicContact CB-CD1 4.31Å; P876-L928 HydrophobicContact CB-CD2 4.07Å
877L92.3Very high89.1Confident1 Ų126.8 Ų26.81%0.00515%0.147CC..Hα-helixtrans-67.3-41.7-177.9-162.377.9000112.2I770 L841 P844 H873 S874 V875 S881 L928 L931I770-L877 HydrophobicContact CB-CD2 4.24Å; I770-L877 HydrophobicContact CD1-CD2 4.26Å; I770-L877 HydrophobicContact CG1-CD2 3.86Å; I770-L877 HydrophobicContact CG2-CD2 3.6Å; L841-L877 HydrophobicContact CD2-CD1 4.46Å; P844-L877 HydrophobicContact CB-CD2 3.66Å; P844-L877 HydrophobicContact CG-CD1 4.27Å; P844-L877 HydrophobicContact CG-CD2 4.08Å; H873-L877 VanDerWaalsContact O-CB 3.32Å; H873-L877 WeakPolarHBondContact O-CB 3.31Å; H873-L877 PolarHBondContact O-N 2.98Å; H873-L877 VanDerWaalsContact O-N 3.13Å; S874-L877 PolarHBondContact O-N 3.12Å; V875-L877 VanDerWaalsContact C-N 3.29Å; V875-L877 PolarHBondContact O-N 3.3Å; L877-S881 VanDerWaalsContact O-CB 3.24Å; L877-S881 WeakPolarHBondContact O-CB 3.49Å; L877-S881 PolarHBondContact O-N 3.05Å; L877-S881 PolarHBondContact O-OG 3.42Å; L877-L928 HydrophobicContact CB-CD2 4.04Å; L877-L928 HydrophobicContact CD1-CD2 3.56Å; L877-L928 HydrophobicContact CD1-CG 4.12Å; L877-L928 HydrophobicContact CG-CD2 4.42Å; L877-L931 HydrophobicContact CD1-CD1 4.33Å
878V92.2Very high89Confident1 Ų126.5 Ų26.51%0.00614%0.143CC..Hα-helixtrans-61.5-48.4174.51670000110.3L757 A769 A773 S874 V875 V880 S881 L882L757-V878 HydrophobicContact CB-CG1 3.8Å; L757-V878 HydrophobicContact CB-CG2 4.43Å; L757-V878 HydrophobicContact CD1-CG1 3.97Å; A769-V878 HydrophobicContact CB-CG2 4.07Å; A773-V878 HydrophobicContact CB-CG2 4.06Å; S874-V878 WeakPolarHBondContact O-CB 3.47Å; S874-V878 WeakPolarHBondContact O-CG2 3.4Å; S874-V878 PolarHBondContact O-N 3.4Å; V875-V878 PolarHBondContact O-N 2.66Å; V878-V880 PolarHBondContact O-N 2.96Å; V878-S881 PolarHBondContact O-N 2.95Å; V878-L882 HydrophobicContact CG1-CD1 3.92Å; V878-L882 WeakPolarHBondContact O-CB 3.4Å; V878-L882 VanDerWaalsContact O-CG 3.31Å; V878-L882 WeakPolarHBondContact O-CG 3.46Å; V878-L882 PolarHBondContact O-N 3.16Å
879C90.7Very high88.7Confident53 Ų5325.7 Ų25.736%0.35814%0.139SC..Hα-helixtrans-57.8-50.1178.9-72.30000111.5V875 P876 L882 L883V875-C879 WeakPolarHBondContact O-CB 3.43Å; V875-C879 PolarHBondContact O-N 3.28Å; V875-C879 PolarHBondContact O-SG 3.37Å; P876-C879 PolarHBondContact O-N 3.35Å; C879-L882 PolarHBondContact O-N 3.4Å; C879-L883 WeakPolarHBondContact O-CG 3.24Å; C879-L883 PolarHBondContact O-N 3.1Å
880V91.9Very high88.5Confident7 Ų729.6 Ų29.64%0.04216%0.159CC..Hα-helixtrans-66.2-42.2-179.8171.90000112.1P876 V878 L882 L883 L884 L931 V932P876-V880 WeakPolarHBondContact O-CB 3.34Å; P876-V880 VanDerWaalsContact O-CG2 3.28Å; P876-V880 WeakPolarHBondContact O-CG2 3.39Å; P876-V880 PolarHBondContact O-N 3.26Å; V878-V880 PolarHBondContact O-N 2.96Å; V880-L882 PolarHBondContact O-N 3.5Å; V880-L883 PolarHBondContact O-N 2.93Å; V880-L883 VanDerWaalsContact O-N 3.14Å; V880-L884 HydrophobicContact CG1-CD1 3.68Å; V880-L884 HydrophobicContact CG1-CG 4.06Å; V880-L884 WeakPolarHBondContact O-CB 3.34Å; V880-L884 WeakPolarHBondContact O-CG 3.17Å; V880-L884 PolarHBondContact O-N 3.2Å; V880-L931 HydrophobicContact CG1-CB 3.74Å; V880-L931 WeakPolarHBondContact CG1-O 2.98Å; V880-V932 HydrophobicContact CG2-CB 4.09Å; V880-V932 HydrophobicContact CG2-CG2 3.5Å
881S90.7Very high88.3Confident1 Ų133.7 Ų33.71%0.00718%0.177CC..Hα-helixtrans-58.6-38.1177-60.30000111.8L841 L877 V878 I885L841-S881 WeakPolarHBondContact CD2-OG 3.38Å; L877-S881 VanDerWaalsContact O-CB 3.24Å; L877-S881 WeakPolarHBondContact O-CB 3.49Å; L877-S881 PolarHBondContact O-N 3.05Å; L877-S881 PolarHBondContact O-OG 3.42Å; V878-S881 PolarHBondContact O-N 2.95Å; S881-I885 WeakPolarHBondContact O-CB 3.31Å; S881-I885 PolarHBondContact O-N 3.33Å
882L89.1Confident88.2Confident6 Ų629.6 Ų29.63%0.03116%0.162CC..Hα-helixtrans-76-30.6177.5-69.2171.2000113.2R750 L753 A754 L776 V878 C879 V880 I885R750-L882 WeakPolarHBondContact CD-O 3.38Å; L753-L882 HydrophobicContact CB-CD1 4.21Å; L753-L882 HydrophobicContact CB-CD2 4.37Å; A754-L882 VanDerWaalsContact CA-CD1 3.46Å; A754-L882 HydrophobicContact CB-CD1 3.57Å; L776-L882 HydrophobicContact CD1-CD2 4.47Å; V878-L882 HydrophobicContact CG1-CD1 3.92Å; V878-L882 WeakPolarHBondContact O-CB 3.4Å; V878-L882 VanDerWaalsContact O-CG 3.31Å; V878-L882 WeakPolarHBondContact O-CG 3.46Å; V878-L882 PolarHBondContact O-N 3.16Å; C879-L882 PolarHBondContact O-N 3.4Å; V880-L882 PolarHBondContact O-N 3.5Å; L882-I885 HydrophobicContact CD2-CD1 4.35Å; L882-I885 VanDerWaalsContact O-CG2 3.31Å; L882-I885 WeakPolarHBondContact O-CG2 3.33Å
883L88.1Confident88.2Confident54 Ų5424.9 Ų24.928%0.28314%0.14SC..Hα-helixtrans-66.9-53.7170.7-71.9175.6000110.6C879 V880 I885 N886 V939C879-L883 WeakPolarHBondContact O-CG 3.24Å; C879-L883 PolarHBondContact O-N 3.1Å; V880-L883 PolarHBondContact O-N 2.93Å; V880-L883 VanDerWaalsContact O-N 3.14Å; L883-I885 PolarHBondContact O-N 3.44Å; L883-N886 PolarHBondContact O-N 3.32Å; L883-V939 HydrophobicContact CD2-CG2 3.91Å
884L88.3Confident88.1Confident0 Ų029.8 Ų29.80%017%0.167CC..Hα-helixtrans-61.2-26.5178.6-69.7176.7000112.4H834 L837 V880 N886 C887 L931 L934H834-L884 PolarHBondContact CE1-O 3.37Å; L837-L884 HydrophobicContact CD1-CD2 4.46Å; L837-L884 HydrophobicContact CD2-CD1 4.46Å; V880-L884 HydrophobicContact CG1-CD1 3.68Å; V880-L884 HydrophobicContact CG1-CG 4.06Å; V880-L884 WeakPolarHBondContact O-CB 3.34Å; V880-L884 WeakPolarHBondContact O-CG 3.17Å; V880-L884 PolarHBondContact O-N 3.2Å; L884-N886 PolarHBondContact O-N 3.47Å; L884-N886 VanDerWaalsContact O-N 3.12Å; L884-C887 WeakPolarHBondContact O-CB 3.36Å; L884-C887 PolarHBondContact O-N 2.89Å; L884-L931 HydrophobicContact CD1-CD2 3.98Å; L884-L934 HydrophobicContact CD2-CB 4.39Å; L884-L934 HydrophobicContact CD2-CD2 4.07Å; L884-L934 HydrophobicContact CD2-CG 3.86Å
885I86.6Confident87.9Confident4 Ų430.1 Ų30.12%0.02117%0.17CC..Hα-helixtrans-50.2-43.5178.6-128.4168.6000109.9L745 L776 R780 H834 S881 L882 L883L745-I885 HydrophobicContact CD1-CD1 4.19Å; L745-I885 HydrophobicContact CD1-CG2 3.93Å; L776-I885 HydrophobicContact CB-CD1 4.23Å; R780-I885 WeakPolarHBondContact CD-O 3.45Å; R780-I885 PolarHBondContact NE-O 2.85Å; R780-I885 PolarHBondContact NH1-O 3.48Å; R780-I885 PolarHBondContact NH2-O 3.14Å; H834-I885 PolarHBondContact CE1-O 3.33Å; S881-I885 WeakPolarHBondContact O-CB 3.31Å; S881-I885 PolarHBondContact O-N 3.33Å; L882-I885 HydrophobicContact CD2-CD1 4.35Å; L882-I885 VanDerWaalsContact O-CG2 3.31Å; L882-I885 WeakPolarHBondContact O-CG2 3.33Å; L883-I885 PolarHBondContact O-N 3.44Å
886N83.7Confident87.6Confident17 Ų1738.9 Ų38.99%0.09120%0.198CC..THydrogen-bonded Turntrans-90.83-176.7-80.7-13.5000115.5L745 R750 R780 L883 L884 N888 Q891L745-N886 PolarHBondContact N-OD1 3.35Å; L745-N886 PolarHBondContact O-ND2 2.96Å; R750-N886 PolarHBondContact NE-ND2 2.96Å; R750-N886 PolarHBondContact NH1-ND2 3.48Å; R780-N886 PolarHBondContact NH1-OD1 3.48Å; L883-N886 PolarHBondContact O-N 3.32Å; L884-N886 PolarHBondContact O-N 3.47Å; L884-N886 VanDerWaalsContact O-N 3.12Å; N886-N888 PolarHBondContact O-OD1 2.05Å; N886-Q891 PolarHBondContact O-OE1 3.1Å
887C85.6Confident87.3Confident2 Ų239.7 Ų39.71%0.01420%0.199CC..  trans-70.6137.5-173.1-154.20000111.6H834 L884 C938H834-C887 PolarHBondContact CE1-O 2.72Å; H834-C887 PolarHBondContact NE2-O 2.71Å; L884-C887 WeakPolarHBondContact O-CB 3.36Å; L884-C887 PolarHBondContact O-N 2.89Å; C887-C938 HydrophobicContact CB-CB 3.85Å; C887-C938 WeakPolarHBondContact CB-SG 3.34Å; C887-C938 WeakPolarHBondContact SG-CB 3.49Å; C887-C938 CovalentContact SG-SG 2.05Å; C887-C938 PolarHBondContact SG-SG 3.29Å
888N85.8Confident87.1Confident24 Ų2439.7 Ų39.713%0.12820%0.198CC..  trans-125.8156.5175.6-65.74000109.6R780 D830 N886 L890 Q891 L892R780-N888 PolarHBondContact NH2-OD1 2.92Å; D830-N888 WeakPolarHBondContact OD1-CA 3.32Å; N886-N888 PolarHBondContact O-OD1 2.05Å; N888-L890 VanDerWaalsContact C-N 3.27Å; N888-L890 PolarHBondContact O-N 2.93Å; N888-Q891 PolarHBondContact O-N 3.2Å; N888-Q891 VanDerWaalsContact O-N 3.09Å; N888-L892 PolarHBondContact O-N 3.45Å; N888-L892 VanDerWaalsContact O-N 3.14Å
889T85Confident86.8Confident5 Ų542.5 Ų42.53%0.03122%0.217CC..Hα-helixtrans-57.2-38.6-177.652.70000113.1I625 A631 D829 D830 L833 L892 S893I625-T889 HydrophobicContact CD1-CG2 4.28Å; A631-T889 HydrophobicContact CB-CG2 4.17Å; D829-T889 HydrophobicContact CB-CG2 4.05Å; D830-T889 PolarHBondContact OD1-N 3Å; D830-T889 PolarHBondContact OD1-OG1 3.29Å; L833-T889 HydrophobicContact CB-CG2 4.3Å; L833-T889 HydrophobicContact CD2-CG2 4.1Å; T889-L892 PolarHBondContact O-N 3.21Å; T889-S893 PolarHBondContact O-N 3.42Å; T889-S893 PolarHBondContact O-OG 3.12Å
890L84.1Confident86.7Confident95 Ų9544.6 Ų44.650%0.49723%0.228SC..Hα-helixtrans-64.9-38.7177.3-171.981.3000113.2N888 L892 S893 N894N888-L890 VanDerWaalsContact C-N 3.27Å; N888-L890 PolarHBondContact O-N 2.93Å; L890-L892 VanDerWaalsContact C-N 3.31Å; L890-S893 PolarHBondContact O-OG 3.16Å; L890-N894 VanDerWaalsContact O-CG 3.24Å; L890-N894 PolarHBondContact O-N 3.31Å; L890-N894 PolarHBondContact O-ND2 3.15Å
891Q84.5Confident86.5Confident92 Ų9244.6 Ų44.643%0.4323%0.228SC..Hα-helixtrans-67.4-40.8177.4-70.2179.4-35.800110N886 N888 N894 S895N886-Q891 PolarHBondContact O-OE1 3.1Å; N888-Q891 PolarHBondContact O-N 3.2Å; N888-Q891 VanDerWaalsContact O-N 3.09Å; Q891-N894 PolarHBondContact O-N 3.38Å; Q891-S895 PolarHBondContact O-N 3.35Å
892L85.1Confident86.4Confident1 Ų145.4 Ų45.41%0.00523%0.233CC..Hα-helixtrans-66.3-45.2179.6-147.279.8000111.7L622 I625 N888 T889 L890 N894 S895 L898 L934 C937L622-L892 HydrophobicContact CD2-CD2 3.56Å; I625-L892 HydrophobicContact CD1-CD2 3.88Å; I625-L892 HydrophobicContact CG2-CB 4.33Å; I625-L892 HydrophobicContact CG2-CD2 4.35Å; N888-L892 PolarHBondContact O-N 3.45Å; N888-L892 VanDerWaalsContact O-N 3.14Å; T889-L892 PolarHBondContact O-N 3.21Å; L890-L892 VanDerWaalsContact C-N 3.31Å; L892-N894 PolarHBondContact O-N 2.99Å; L892-S895 PolarHBondContact O-N 2.98Å; L892-S895 VanDerWaalsContact O-N 3.15Å; L892-L898 HydrophobicContact CD2-CD1 3.94Å; L892-L898 HydrophobicContact CG-CD1 3.95Å; L892-L898 HydrophobicContact CG-CD2 4.31Å; L892-L898 WeakPolarHBondContact O-CD2 3.01Å; L892-L934 HydrophobicContact CD1-CD1 3.87Å; L892-L934 HydrophobicContact CD2-CD1 4.33Å; L892-C937 HydrophobicContact CD1-CB 4.1Å
893S85.4Confident86.3Confident41 Ų4149.3 Ų49.329%0.28726%0.26SS..Hα-helixtrans-61.3-28.7179.264.90000113.3T889 L890T889-S893 PolarHBondContact O-N 3.42Å; T889-S893 PolarHBondContact O-OG 3.12Å; L890-S893 PolarHBondContact O-OG 3.16Å
894N85.6Confident86.3Confident120 Ų12049.3 Ų49.364%0.64226%0.26SS*.Hα-helixtrans-89.3-9-178.9-66.2-11000113.3L890 Q891 L892L890-N894 VanDerWaalsContact O-CG 3.24Å; L890-N894 PolarHBondContact O-N 3.31Å; L890-N894 PolarHBondContact O-ND2 3.15Å; Q891-N894 PolarHBondContact O-N 3.38Å; L892-N894 PolarHBondContact O-N 2.99Å
895S87.1Confident86.4Confident8 Ų849.4 Ų49.46%0.05626%0.261CS..  trans-75.8130.3-177.8-174.50000111.6Q891 L892 L897 L898 C937 L940Q891-S895 PolarHBondContact O-N 3.35Å; L892-S895 PolarHBondContact O-N 2.98Å; L892-S895 VanDerWaalsContact O-N 3.15Å; S895-L897 PolarHBondContact O-N 3.48Å; S895-L897 PolarHBondContact OG-N 2.75Å; S895-L898 PolarHBondContact O-N 3.39Å; S895-C937 WeakPolarHBondContact CB-O 3.48Å; S895-C937 WeakPolarHBondContact OG-CA 3.33Å; S895-C937 PolarHBondContact OG-O 2.96Å; S895-L940 WeakPolarHBondContact CB-OXT 3.33Å; S895-L940 PolarHBondContact OG-OXT 2.89Å
896R85.1Confident86.5Confident234 Ų23452.7 Ų52.788%0.88328%0.278SS*.THydrogen-bonded Turntrans-67.2-19177.4-63.2-176.2-178.1-173.20.4113.3P899R896-P899 WeakPolarHBondContact O-CD 3.3Å
897L86.8Confident86.7Confident68 Ų6855.1 Ų55.136%0.35630%0.295SS..THydrogen-bonded Turntrans-88.7-15.2-177.8-66.8174.8000112.9S895 P899 V900 V901 V936 C937 L940S895-L897 PolarHBondContact O-N 3.48Å; S895-L897 PolarHBondContact OG-N 2.75Å; L897-P899 VanDerWaalsContact C-CD 3.46Å; L897-V900 PolarHBondContact O-N 3.34Å; L897-V901 WeakPolarHBondContact O-CG2 3.38Å; L897-V901 PolarHBondContact O-N 2.95Å; L897-V936 HydrophobicContact CD1-CG1 3.87Å; L897-C937 VanDerWaalsContact CB-SG 3.5Å; L897-L940 HydrophobicContact CD1-CB 4.33Å; L897-L940 HydrophobicContact CD1-CD1 3.79Å
898L87Confident86.8Confident0 Ų056.5 Ų56.50%030%0.302CS..Hα-helixtrans-56.2-41.9-177.5-17861.4000114L622 I625 L626 L892 S895 V900 V901 S902L622-L898 HydrophobicContact CB-CD1 4.24Å; L622-L898 HydrophobicContact CD2-CD1 4.03Å; I625-L898 HydrophobicContact CG2-CD2 4.24Å; L626-L898 HydrophobicContact CB-CD2 4.21Å; L626-L898 HydrophobicContact CD1-CB 4.41Å; L626-L898 HydrophobicContact CD1-CD2 3.95Å; L626-L898 HydrophobicContact CD1-CG 4.01Å; L892-L898 HydrophobicContact CD2-CD1 3.94Å; L892-L898 HydrophobicContact CG-CD1 3.95Å; L892-L898 HydrophobicContact CG-CD2 4.31Å; L892-L898 WeakPolarHBondContact O-CD2 3.01Å; S895-L898 PolarHBondContact O-N 3.39Å; L898-V900 VanDerWaalsContact C-N 3.33Å; L898-V900 PolarHBondContact O-N 3.48Å; L898-V901 PolarHBondContact O-N 3.35Å; L898-S902 VanDerWaalsContact O-CB 3.31Å; L898-S902 WeakPolarHBondContact O-CB 3.41Å; L898-S902 PolarHBondContact O-N 3.19Å; L898-S902 PolarHBondContact O-OG 3.23Å
899P87.3Confident87Confident61 Ų6155.3 Ų55.340%0.39630%0.296SS..Hα-helixtrans-58-44.9178.2-22.631.6000112.4L626 R896 L897 S902 C903L626-P899 HydrophobicContact CD1-CB 4.47Å; L626-P899 HydrophobicContact CD1-CG 3.91Å; R896-P899 WeakPolarHBondContact O-CD 3.3Å; L897-P899 VanDerWaalsContact C-CD 3.46Å; P899-S902 PolarHBondContact O-N 3.19Å; P899-S902 PolarHBondContact O-OG 3.05Å; P899-C903 PolarHBondContact O-SG 2.99Å
900V87.8Confident87Confident97 Ų9755.6 Ų55.659%0.58830%0.297SS*.Hα-helixtrans-67.5-46.7179.6-179.60000110.6L897 L898 S902 C903L897-V900 PolarHBondContact O-N 3.34Å; L898-V900 VanDerWaalsContact C-N 3.33Å; L898-V900 PolarHBondContact O-N 3.48Å; V900-S902 VanDerWaalsContact C-N 3.29Å; V900-S902 PolarHBondContact O-N 3.41Å; V900-C903 PolarHBondContact O-N 3.49Å; V900-C903 VanDerWaalsContact O-N 3.16Å
901V88.2Confident87Confident7 Ų752.8 Ų52.84%0.04228%0.284CS..Hα-helixtrans-65.2-33-179.5176.80000111.8L622 L897 L898 C903 L904 P905 P933 L934L622-V901 HydrophobicContact CD1-CG1 4.23Å; L897-V901 WeakPolarHBondContact O-CG2 3.38Å; L897-V901 PolarHBondContact O-N 2.95Å; L898-V901 PolarHBondContact O-N 3.35Å; V901-C903 PolarHBondContact O-N 3.18Å; V901-L904 PolarHBondContact O-N 3.4Å; V901-P905 VanDerWaalsContact O-CD 3.27Å; V901-P905 WeakPolarHBondContact O-CD 3.38Å; V901-P933 HydrophobicContact CG1-CB 4.28Å; V901-P933 HydrophobicContact CG2-CB 3.6Å; V901-L934 HydrophobicContact CG1-CB 4.24Å; V901-L934 HydrophobicContact CG1-CD1 4.29Å
902S87.8Confident87.2Confident17 Ų1748.4 Ų48.412%0.11926%0.264CS..Hα-helixtrans-65.5-22.2176.777.70000113.9L898 P899 V900 P905L898-S902 VanDerWaalsContact O-CB 3.31Å; L898-S902 WeakPolarHBondContact O-CB 3.41Å; L898-S902 PolarHBondContact O-N 3.19Å; L898-S902 PolarHBondContact O-OG 3.23Å; P899-S902 PolarHBondContact O-N 3.19Å; P899-S902 PolarHBondContact O-OG 3.05Å; V900-S902 VanDerWaalsContact C-N 3.29Å; V900-S902 PolarHBondContact O-N 3.41Å; S902-P905 WeakPolarHBondContact O-CD 3.45Å
903C87.6Confident87.1Confident89 Ų8948.8 Ų48.860%0.60127%0.267SS*.Hα-helixtrans-86.5-17.8177.7-67.10000113.8P899 V900 V901 P907P899-C903 PolarHBondContact O-SG 2.99Å; V900-C903 PolarHBondContact O-N 3.49Å; V900-C903 VanDerWaalsContact O-N 3.16Å; V901-C903 PolarHBondContact O-N 3.18Å; C903-P907 WeakPolarHBondContact O-CD 3.27Å
904L88.6Confident86.8Confident54 Ų5446.8 Ų46.828%0.28325%0.253SS..SBendtrans-68.4-36-177.2-65.8175.9000115.6V901 L906 P907 L908 P933V901-L904 PolarHBondContact O-N 3.4Å; L904-L906 VanDerWaalsContact C-N 3.33Å; L904-L906 PolarHBondContact O-N 3.02Å; L904-P907 VanDerWaalsContact O-CD 3.22Å; L904-P907 WeakPolarHBondContact O-CD 3.38Å; L904-P907 VanDerWaalsContact O-CG 3.31Å; L904-P907 WeakPolarHBondContact O-CG 3.45Å; L904-L908 HydrophobicContact CB-CD1 4.18Å; L904-L908 WeakPolarHBondContact O-CB 3.19Å; L904-L908 WeakPolarHBondContact O-CG 3.37Å; L904-L908 PolarHBondContact O-N 2.98Å; L904-P933 HydrophobicContact CD1-CB 4.22Å; L904-P933 HydrophobicContact CD1-CG 4.06Å
905P89.9Confident86.7Confident2 Ų241.6 Ų41.61%0.01323%0.225CC..Hα-helixtrans-59.7-35.6-174.5-31.238.7000114.9L615 V901 S902 A909 V930L615-P905 HydrophobicContact CG-CB 4.2Å; V901-P905 VanDerWaalsContact O-CD 3.27Å; V901-P905 WeakPolarHBondContact O-CD 3.38Å; S902-P905 WeakPolarHBondContact O-CD 3.45Å; P905-A909 WeakPolarHBondContact O-CB 3.22Å; P905-A909 PolarHBondContact O-N 3.03Å; P905-V930 HydrophobicContact CG-CG1 4.2Å
906L87.8Confident86.5Confident72 Ų7241.2 Ų41.238%0.37722%0.222SC..Hα-helixtrans-68.2-55.4-178.9-178.166.2000113.4L616 K646 L904 L908 A909 V910L616-L906 HydrophobicContact CD2-CB 4.4Å; L616-L906 HydrophobicContact CD2-CD1 3.83Å; K646-L906 HydrophobicContact CB-CD1 4.19Å; L904-L906 VanDerWaalsContact C-N 3.33Å; L904-L906 PolarHBondContact O-N 3.02Å; L906-L908 VanDerWaalsContact C-N 3.27Å; L906-L908 PolarHBondContact O-N 3.26Å; L906-A909 WeakPolarHBondContact O-CB 3.09Å; L906-A909 PolarHBondContact O-N 3.08Å; L906-V910 WeakPolarHBondContact O-CG2 3.31Å; L906-V910 PolarHBondContact O-N 3.11Å; L906-V910 VanDerWaalsContact O-N 3.1Å
907P87.9Confident86Confident69 Ų6930.5 Ų30.545%0.44818%0.183SC..Hα-helixtrans-62.8-34.7177.424-33.4000112.2C903 L904 V910 T911C903-P907 WeakPolarHBondContact O-CD 3.27Å; L904-P907 VanDerWaalsContact O-CD 3.22Å; L904-P907 WeakPolarHBondContact O-CD 3.38Å; L904-P907 VanDerWaalsContact O-CG 3.31Å; L904-P907 WeakPolarHBondContact O-CG 3.45Å; P907-V910 PolarHBondContact O-N 3.49Å; P907-T911 WeakPolarHBondContact O-CG2 3.27Å; P907-T911 PolarHBondContact O-N 3.14Å; P907-T911 PolarHBondContact O-OG1 3.28Å
908L89.3Confident85.2Confident30 Ų3030.4 Ų30.416%0.15718%0.182CC..Hα-helixtrans-72-31.7176.2-69.6169.6000112.9L615 L904 L906 T911 M912 F926 A929 V930L615-L908 HydrophobicContact CD2-CB 4.19Å; L904-L908 HydrophobicContact CB-CD1 4.18Å; L904-L908 WeakPolarHBondContact O-CB 3.19Å; L904-L908 WeakPolarHBondContact O-CG 3.37Å; L904-L908 PolarHBondContact O-N 2.98Å; L906-L908 VanDerWaalsContact C-N 3.27Å; L906-L908 PolarHBondContact O-N 3.26Å; L908-T911 WeakPolarHBondContact CA-OG1 3.2Å; L908-T911 PolarHBondContact O-OG1 3.16Å; L908-M912 WeakPolarHBondContact O-CB 3.46Å; L908-M912 PolarHBondContact O-N 3.38Å; L908-F926 HydrophobicContact CD2-CD1 4.05Å; L908-A929 HydrophobicContact CD1-CB 3.92Å; L908-A929 HydrophobicContact CD2-CB 4.24Å; L908-V930 HydrophobicContact CB-CG2 4.39Å; L908-V930 HydrophobicContact CD1-CG2 3.31Å; L908-V930 HydrophobicContact CG-CG2 4.47Å
909A89Confident85.1Confident0 Ų031.8 Ų31.80%019%0.189CC..Hα-helixtrans-64-42.9170.800000112V612 L615 L616 P905 L906 A913V612-A909 HydrophobicContact CG1-CB 3.93Å; L615-A909 HydrophobicContact CD2-CB 4.33Å; L616-A909 HydrophobicContact CD1-CB 4.38Å; L616-A909 HydrophobicContact CD2-CB 3.78Å; L616-A909 HydrophobicContact CG-CB 3.94Å; P905-A909 WeakPolarHBondContact O-CB 3.22Å; P905-A909 PolarHBondContact O-N 3.03Å; L906-A909 WeakPolarHBondContact O-CB 3.09Å; L906-A909 PolarHBondContact O-N 3.08Å; A909-A913 PolarHBondContact O-N 3.07Å; A909-A913 VanDerWaalsContact O-N 3.12Å
910V85.1Confident85.1Confident10 Ų1029.3 Ų29.36%0.06117%0.172CC..Hα-helixtrans-63.7-49.3176.5174.70000110.1P650 L651 L654 L906 P907 M912 A913 T914P650-V910 HydrophobicContact CB-CG1 4.22Å; P650-V910 HydrophobicContact CB-CG2 4.08Å; L651-V910 HydrophobicContact CD2-CG1 3.84Å; L651-V910 WeakPolarHBondContact CD2-O 3.4Å; L651-V910 HydrophobicContact CG-CG1 4.07Å; L654-V910 HydrophobicContact CD2-CG1 3.86Å; L906-V910 WeakPolarHBondContact O-CG2 3.31Å; L906-V910 PolarHBondContact O-N 3.11Å; L906-V910 VanDerWaalsContact O-N 3.1Å; P907-V910 PolarHBondContact O-N 3.49Å; V910-M912 PolarHBondContact O-N 3.46Å; V910-A913 PolarHBondContact O-N 2.79Å; V910-T914 PolarHBondContact O-N 3.49Å
911T84.9Confident85.1Confident37 Ų3726.6 Ų26.623%0.22715%0.152CC..Hα-helixtrans-68.2-32.4178.956.50000113.2L654 P907 L908 T914 F915 F926L654-T911 HydrophobicContact CD2-CG2 4.46Å; P907-T911 WeakPolarHBondContact O-CG2 3.27Å; P907-T911 PolarHBondContact O-N 3.14Å; P907-T911 PolarHBondContact O-OG1 3.28Å; L908-T911 WeakPolarHBondContact CA-OG1 3.2Å; L908-T911 PolarHBondContact O-OG1 3.16Å; T911-T914 WeakPolarHBondContact CA-OG1 3.34Å; T911-T914 PolarHBondContact O-N 2.85Å; T911-T914 PolarHBondContact O-OG1 3.33Å; T911-F915 WeakPolarHBondContact O-CB 3.44Å; T911-F915 VanDerWaalsContact O-CD2 3.26Å; T911-F915 WeakPolarHBondContact O-CD2 3.45Å; T911-F915 PolarHBondContact O-N 2.95Å; T911-F926 VanDerWaalsContact OG1-CE1 3.32Å; T911-F926 WeakPolarHBondContact OG1-CE1 3.31Å
912M88Confident85.1Confident0 Ų027.5 Ų27.50%015%0.154CC..Hα-helixtrans-64.5-41.4175-178167.961.400111.7S611 V612 L615 L908 V910 T914 S916 I923 F926S611-M912 VanDerWaalsContact C-CE 3.46Å; V612-M912 VanDerWaalsContact CA-CE 3.49Å; V612-M912 HydrophobicContact CB-CE 4.13Å; V612-M912 HydrophobicContact CG2-CE 3.52Å; V612-M912 VanDerWaalsContact N-CE 3.32Å; L615-M912 HydrophobicContact CB-CE 4.43Å; L615-M912 HydrophobicContact CD2-CE 4.04Å; L908-M912 WeakPolarHBondContact O-CB 3.46Å; L908-M912 PolarHBondContact O-N 3.38Å; V910-M912 PolarHBondContact O-N 3.46Å; M912-T914 VanDerWaalsContact C-N 3.34Å; M912-T914 PolarHBondContact O-N 3.01Å; M912-S916 WeakPolarHBondContact O-CB 3.36Å; M912-S916 PolarHBondContact O-N 3.4Å; M912-S916 PolarHBondContact O-OG 3.37Å; M912-I923 HydrophobicContact SD-CB 4.46Å; M912-I923 HydrophobicContact SD-CG1 4.42Å; M912-I923 HydrophobicContact SD-CG2 4.04Å; M912-F926 HydrophobicContact CB-CB 4.12Å; M912-F926 HydrophobicContact CB-CD1 4.28Å; M912-F926 HydrophobicContact CB-CD2 3.89Å; M912-F926 HydrophobicContact CB-CE2 4.4Å; M912-F926 HydrophobicContact CB-CG 3.84Å; M912-F926 HydrophobicContact CG-CB 4.21Å; M912-F926 HydrophobicContact CG-CD2 3.9Å; M912-F926 HydrophobicContact CG-CG 4.16Å; M912-F926 HydrophobicContact SD-CB 3.93Å
913A84Confident85.3Confident8 Ų826.7 Ų26.77%0.06615%0.149CC..Hα-helixtrans-67.4-30.8176.600000113.1Y609 V612 L651 A909 V910Y609-A913 HydrophobicContact CE1-CB 4.3Å; V612-A913 HydrophobicContact CG2-CB 4.14Å; L651-A913 HydrophobicContact CD1-CB 3.97Å; L651-A913 HydrophobicContact CD2-CB 3.87Å; A909-A913 PolarHBondContact O-N 3.07Å; A909-A913 VanDerWaalsContact O-N 3.12Å; V910-A913 PolarHBondContact O-N 2.79Å
914T78.8Confident85.5Confident0 Ų022.7 Ų22.70%012%0.121CC..Hα-helixtrans-78.2-41.1175.557.40000113.5L651 L654 D675 V910 T911 M912L651-T914 HydrophobicContact CD2-CG2 3.29Å; L654-T914 HydrophobicContact CD2-CG2 3.74Å; L654-T914 HydrophobicContact CG-CG2 4.43Å; D675-T914 WeakPolarHBondContact CB-O 3.18Å; D675-T914 PolarHBondContact N-O 2.97Å; V910-T914 PolarHBondContact O-N 3.49Å; T911-T914 WeakPolarHBondContact CA-OG1 3.34Å; T911-T914 PolarHBondContact O-N 2.85Å; T911-T914 PolarHBondContact O-OG1 3.33Å; M912-T914 VanDerWaalsContact C-N 3.34Å; M912-T914 PolarHBondContact O-N 3.01Å
915F82.1Confident85.6Confident11 Ų1124.7 Ų24.75%0.04813%0.126CC..Hα-helixtrans-105-4.6-169-65.2-69.7000114.9L658 L671 P672 E674 T911 R922 F926L658-F915 HydrophobicContact CD1-CZ 4.18Å; L658-F915 HydrophobicContact CD2-CZ 4.28Å; L671-F915 HydrophobicContact CD2-CE1 4.44Å; L671-F915 HydrophobicContact CD2-CE2 4.17Å; L671-F915 HydrophobicContact CD2-CZ 3.65Å; P672-F915 HydrophobicContact CG-CD1 4.1Å; P672-F915 HydrophobicContact CG-CE1 4.46Å; P672-F915 WeakPolarHBondContact O-CE1 3.29Å; E674-F915 HydrophobicContact CG-CE1 4.07Å; T911-F915 WeakPolarHBondContact O-CB 3.44Å; T911-F915 VanDerWaalsContact O-CD2 3.26Å; T911-F915 WeakPolarHBondContact O-CD2 3.45Å; T911-F915 PolarHBondContact O-N 2.95Å; F915-R922 WeakPolarHBondContact O-CD 3.35Å; F915-R922 PolarHBondContact O-NH1 3.02Å; F915-F926 HydrophobicContact CB-CE2 4.35Å; F915-F926 HydrophobicContact CB-CZ 4.09Å
916S83.4Confident85.7Confident0 Ų026.2 Ų26.20%013%0.132CC..SBendtrans-115.38.5177.3-44.50000113.1V608 M912 L918 H919 F926V608-S916 WeakPolarHBondContact CG2-O 3.4Å; M912-S916 WeakPolarHBondContact O-CB 3.36Å; M912-S916 PolarHBondContact O-N 3.4Å; M912-S916 PolarHBondContact O-OG 3.37Å; S916-L918 PolarHBondContact O-N 3.29Å; S916-H919 PolarHBondContact O-N 2.71Å; S916-F926 WeakPolarHBondContact OG-CE2 3.38Å
917S74.2Confident85.9Confident8 Ų822.8 Ų22.86%0.05612%0.115CC..SBendtrans-63.5-31.3-171.8105.10000112.3D675D675-S917 VanDerWaalsContact CB-OG 3.23Å; D675-S917 WeakPolarHBondContact CB-OG 3.24Å; D675-S917 PolarHBondContact O-OG 3.12Å; D675-S917 PolarHBondContact OD2-N 2.93Å
918L70.8Confident86.1Confident66 Ų6620.4 Ų20.435%0.34610%0.098SC..SBendtrans-113.5-20.1175.6-61.9175.2000112.6A205 D675 V676 S916A205-L918 VanDerWaalsContact CB-O 3.31Å; A205-L918 WeakPolarHBondContact CB-O 3.34Å; D675-L918 HydrophobicContact CB-CB 4.09Å; D675-L918 HydrophobicContact CB-CD1 4.28Å; D675-L918 HydrophobicContact CB-CG 4.07Å; D675-L918 PolarHBondContact OD2-N 3.33Å; V676-L918 WeakPolarHBondContact O-CD1 3.46Å; S916-L918 PolarHBondContact O-N 3.29Å
919H84.3Confident86.2Confident30 Ų3021.1 Ų21.114%0.13911%0.108CC..  trans-11682.4-173-5981.2000111.6L211 D675 S916 Y921 R922L211-H919 WeakPolarHBondContact CD1-CD2 3.03Å; L211-H919 WeakPolarHBondContact CD2-NE2 3.37Å; D675-H919 IonicContact OD1-CE1 2.77Å; D675-H919 PolarHBondContact OD1-CE1 3.18Å; D675-H919 IonicContact OD1-CG 2.66Å; D675-H919 IonicContact OD1-ND1 2.73Å; D675-H919 PolarHBondContact OD1-ND1 2.9Å; D675-H919 IonicContact OD2-CE1 3.59Å; D675-H919 IonicContact OD2-CG 3.21Å; D675-H919 PolarHBondContact OD2-N 3.27Å; D675-H919 VanDerWaalsContact OD2-N 3.1Å; D675-H919 IonicContact OD2-ND1 2.77Å; D675-H919 PolarHBondContact OD2-ND1 2.92Å; S916-H919 PolarHBondContact O-N 2.71Å; H919-Y921 VanDerWaalsContact C-N 3.25Å; H919-Y921 HydrophobicContact CB-CD1 4.14Å; H919-Y921 HydrophobicContact CB-CE1 3.68Å; H919-Y921 AromaticContact CD2-CE1 3.93Å; H919-Y921 PolarHBondContact O-N 3.24Å; H919-R922 HydrophobicContact CB-CG 4.07Å; H919-R922 WeakPolarHBondContact O-CB 3.46Å; H919-R922 PolarHBondContact O-N 2.93Å; H919-R922 VanDerWaalsContact O-N 3.12Å
920L87.1Confident86.4Confident8 Ų821.1 Ų21.14%0.04211%0.108CC..G310 helixtrans-60.3-29.6-173.7-70.4177.5000114.1L204 A205 L206 P607 V608 R922 I923L204-L920 HydrophobicContact CD2-CD1 4.12Å; A205-L920 PolarHBondContact O-N 3.28Å; A205-L920 VanDerWaalsContact O-N 3.13Å; L206-L920 HydrophobicContact CD2-CB 4.02Å; L206-L920 HydrophobicContact CD2-CD1 3.8Å; P607-L920 HydrophobicContact CB-CD2 4.2Å; V608-L920 HydrophobicContact CG2-CD2 3.6Å; L920-R922 PolarHBondContact O-N 3.45Å; L920-I923 HydrophobicContact CD2-CD1 3.85Å; L920-I923 WeakPolarHBondContact O-CB 3.16Å; L920-I923 WeakPolarHBondContact O-CD1 3.36Å; L920-I923 VanDerWaalsContact O-CG1 3.27Å; L920-I923 WeakPolarHBondContact O-CG1 3.49Å; L920-I923 PolarHBondContact O-N 3Å
921Y87.4Confident86.7Confident41 Ų4120.7 Ų20.716%0.16111%0.105CC..G310 helixtrans-62.1-25.6178.774.2-86.5000113.3L206 P208 L211 H919 I923 V924 Y925L206-Y921 VanDerWaalsContact O-CB 3.29Å; L206-Y921 WeakPolarHBondContact O-CB 3.32Å; P208-Y921 HydrophobicContact CB-CE2 4.21Å; L211-Y921 HydrophobicContact CD1-CD1 4.18Å; L211-Y921 HydrophobicContact CD1-CE1 3.46Å; L211-Y921 VanDerWaalsContact CD1-CE1 3.46Å; H919-Y921 VanDerWaalsContact C-N 3.25Å; H919-Y921 HydrophobicContact CB-CD1 4.14Å; H919-Y921 HydrophobicContact CB-CE1 3.68Å; H919-Y921 AromaticContact CD2-CE1 3.93Å; H919-Y921 PolarHBondContact O-N 3.24Å; Y921-I923 PolarHBondContact O-N 2.95Å; Y921-V924 PolarHBondContact O-N 3.49Å; Y921-Y925 AromaticContact CD2-CE2 3.86Å; Y921-Y925 HydrophobicContact CD2-CE2 3.86Å; Y921-Y925 AromaticContact CE2-CE2 3.81Å; Y921-Y925 HydrophobicContact CE2-CE2 3.81Å
922R89.6Confident87.1Confident26 Ų2621.8 Ų21.810%0.09811%0.112CC..G310 helixtrans-68.6-20.8-179.8-65.3177.1-176.7167.41.5113.1D675 F915 H919 L920 V924 Y925 F926D675-R922 IonicContact OD1-CZ 3.2Å; D675-R922 IonicContact OD1-NH1 3.13Å; D675-R922 PolarHBondContact OD1-NH1 3.26Å; D675-R922 IonicContact OD2-NH1 2.75Å; F915-R922 WeakPolarHBondContact O-CD 3.35Å; F915-R922 PolarHBondContact O-NH1 3.02Å; H919-R922 HydrophobicContact CB-CG 4.07Å; H919-R922 WeakPolarHBondContact O-CB 3.46Å; H919-R922 PolarHBondContact O-N 2.93Å; H919-R922 VanDerWaalsContact O-N 3.12Å; L920-R922 PolarHBondContact O-N 3.45Å; R922-V924 PolarHBondContact O-N 3.44Å; R922-Y925 HydrophobicContact CB-CD2 4.18Å; R922-Y925 HydrophobicContact CG-CD2 4.29Å; R922-Y925 HydrophobicContact CG-CE2 4.32Å; R922-Y925 WeakPolarHBondContact O-CB 3.32Å; R922-Y925 PolarHBondContact O-N 3.24Å; R922-F926 HydrophobicContact CB-CE2 4.32Å; R922-F926 VanDerWaalsContact O-CD2 3.27Å; R922-F926 WeakPolarHBondContact O-CD2 3.28Å; R922-F926 PolarHBondContact O-N 3.14Å
923I91.3Very high87.2Confident0 Ų023.6 Ų23.60%012%0.123CC..Hα-helixtrans-52.2-41.2176.2-65.9170.9000110.7V608 L843 L847 M912 L920 Y921 Y925 F926 L927V608-I923 HydrophobicContact CG2-CD1 4.22Å; L843-I923 HydrophobicContact CD2-CG2 4.01Å; L843-I923 HydrophobicContact CG-CG2 4.5Å; L847-I923 HydrophobicContact CD1-CB 3.88Å; L847-I923 HydrophobicContact CD1-CD1 4.17Å; L847-I923 HydrophobicContact CD1-CG2 3.91Å; M912-I923 HydrophobicContact SD-CB 4.46Å; M912-I923 HydrophobicContact SD-CG1 4.42Å; M912-I923 HydrophobicContact SD-CG2 4.04Å; L920-I923 HydrophobicContact CD2-CD1 3.85Å; L920-I923 WeakPolarHBondContact O-CB 3.16Å; L920-I923 WeakPolarHBondContact O-CD1 3.36Å; L920-I923 VanDerWaalsContact O-CG1 3.27Å; L920-I923 WeakPolarHBondContact O-CG1 3.49Å; L920-I923 PolarHBondContact O-N 3Å; Y921-I923 PolarHBondContact O-N 2.95Å; I923-Y925 VanDerWaalsContact C-N 3.27Å; I923-Y925 PolarHBondContact O-N 3.18Å; I923-F926 PolarHBondContact O-N 3.4Å; I923-L927 HydrophobicContact CG2-CD1 3.86Å; I923-L927 HydrophobicContact CG2-CG 4.18Å; I923-L927 WeakPolarHBondContact O-CG 3.32Å; I923-L927 PolarHBondContact O-N 3.15Å
924V91.6Very high87.5Confident5 Ų523.3 Ų23.33%0.0312%0.121CC..Hα-helixtrans-63.3-33.6-178-175.40000111.9P844 L847 H873 Y921 R922 L928P844-V924 HydrophobicContact CB-CG1 4.28Å; P844-V924 HydrophobicContact CB-CG2 4.16Å; P844-V924 HydrophobicContact CG-CG1 4.41Å; P844-V924 HydrophobicContact CG-CG2 4.47Å; L847-V924 HydrophobicContact CD1-CG2 4.11Å; H873-V924 HydrophobicContact CB-CG1 4.41Å; Y921-V924 PolarHBondContact O-N 3.49Å; R922-V924 PolarHBondContact O-N 3.44Å; V924-L928 HydrophobicContact CG1-CD1 4.33Å; V924-L928 WeakPolarHBondContact O-CB 3.35Å; V924-L928 WeakPolarHBondContact O-CG 3.44Å; V924-L928 PolarHBondContact O-N 3.37Å
925Y90.9Very high87.9Confident95 Ų9523.3 Ų23.337%0.37312%0.121SC..Hα-helixtrans-67.8-43.9177.2-53.3-43000111.9Y921 R922 I923 L928 A929Y921-Y925 AromaticContact CD2-CE2 3.86Å; Y921-Y925 HydrophobicContact CD2-CE2 3.86Å; Y921-Y925 AromaticContact CE2-CE2 3.81Å; Y921-Y925 HydrophobicContact CE2-CE2 3.81Å; R922-Y925 HydrophobicContact CB-CD2 4.18Å; R922-Y925 HydrophobicContact CG-CD2 4.29Å; R922-Y925 HydrophobicContact CG-CE2 4.32Å; R922-Y925 WeakPolarHBondContact O-CB 3.32Å; R922-Y925 PolarHBondContact O-N 3.24Å; I923-Y925 VanDerWaalsContact C-N 3.27Å; I923-Y925 PolarHBondContact O-N 3.18Å; Y925-L928 PolarHBondContact O-N 3.32Å; Y925-A929 PolarHBondContact O-N 3.35Å
926F91.9Very high88.1Confident35 Ų3525.5 Ų25.515%0.15414%0.135CC..Hα-helixtrans-66-38177.1-68.8-72.8000112.2L908 T911 M912 F915 S916 R922 I923 A929L908-F926 HydrophobicContact CD2-CD1 4.05Å; T911-F926 VanDerWaalsContact OG1-CE1 3.32Å; T911-F926 WeakPolarHBondContact OG1-CE1 3.31Å; M912-F926 HydrophobicContact CB-CB 4.12Å; M912-F926 HydrophobicContact CB-CD1 4.28Å; M912-F926 HydrophobicContact CB-CD2 3.89Å; M912-F926 HydrophobicContact CB-CE2 4.4Å; M912-F926 HydrophobicContact CB-CG 3.84Å; M912-F926 HydrophobicContact CG-CB 4.21Å; M912-F926 HydrophobicContact CG-CD2 3.9Å; M912-F926 HydrophobicContact CG-CG 4.16Å; M912-F926 HydrophobicContact SD-CB 3.93Å; F915-F926 HydrophobicContact CB-CE2 4.35Å; F915-F926 HydrophobicContact CB-CZ 4.09Å; S916-F926 WeakPolarHBondContact OG-CE2 3.38Å; R922-F926 HydrophobicContact CB-CE2 4.32Å; R922-F926 VanDerWaalsContact O-CD2 3.27Å; R922-F926 WeakPolarHBondContact O-CD2 3.28Å; R922-F926 PolarHBondContact O-N 3.14Å; I923-F926 PolarHBondContact O-N 3.4Å; F926-A929 WeakPolarHBondContact O-CB 3.47Å; F926-A929 PolarHBondContact O-N 3.09Å
927L92.3Very high88.3Confident0 Ų025.5 Ų25.50%014%0.135CC..Hα-helixtrans-63.6-45173.9-67.7175.5000111.6L615 L840 L843 P844 I923 A929 V930 L931L615-L927 HydrophobicContact CD1-CD2 4.35Å; L840-L927 HydrophobicContact CD2-CD2 3.94Å; L843-L927 HydrophobicContact CB-CD1 4.38Å; L843-L927 HydrophobicContact CD2-CD1 3.67Å; L843-L927 HydrophobicContact CG-CD1 4.13Å; P844-L927 HydrophobicContact CG-CD1 3.86Å; I923-L927 HydrophobicContact CG2-CD1 3.86Å; I923-L927 HydrophobicContact CG2-CG 4.18Å; I923-L927 WeakPolarHBondContact O-CG 3.32Å; I923-L927 PolarHBondContact O-N 3.15Å; L927-A929 VanDerWaalsContact C-N 3.28Å; L927-A929 PolarHBondContact O-N 3.48Å; L927-V930 PolarHBondContact O-N 3.24Å; L927-V930 VanDerWaalsContact O-N 3.16Å; L927-L931 HydrophobicContact CB-CD1 4.32Å; L927-L931 WeakPolarHBondContact O-CB 3.22Å; L927-L931 VanDerWaalsContact O-CG 3.25Å; L927-L931 WeakPolarHBondContact O-CG 3.36Å; L927-L931 PolarHBondContact O-N 3.12Å
928L92.8Very high88.6Confident19 Ų1926.1 Ų26.110%0.09914%0.139CC..Hα-helixtrans-60.6-37.1176.1-80.2172.4000112.5H873 P876 L877 V924 Y925 V930 L931 V932H873-L928 HydrophobicContact CB-CD1 3.8Å; P876-L928 HydrophobicContact CB-CD1 4.31Å; P876-L928 HydrophobicContact CB-CD2 4.07Å; L877-L928 HydrophobicContact CB-CD2 4.04Å; L877-L928 HydrophobicContact CD1-CD2 3.56Å; L877-L928 HydrophobicContact CD1-CG 4.12Å; L877-L928 HydrophobicContact CG-CD2 4.42Å; V924-L928 HydrophobicContact CG1-CD1 4.33Å; V924-L928 WeakPolarHBondContact O-CB 3.35Å; V924-L928 WeakPolarHBondContact O-CG 3.44Å; V924-L928 PolarHBondContact O-N 3.37Å; Y925-L928 PolarHBondContact O-N 3.32Å; L928-V930 PolarHBondContact O-N 3.46Å; L928-L931 PolarHBondContact O-N 2.72Å; L928-V932 HydrophobicContact CD2-CG2 4.3Å; L928-V932 WeakPolarHBondContact O-CB 3.31Å; L928-V932 VanDerWaalsContact O-CG2 3.27Å; L928-V932 WeakPolarHBondContact O-CG2 3.37Å; L928-V932 PolarHBondContact O-N 2.85Å
929A91.7Very high89Confident44 Ų4427.7 Ų27.736%0.36415%0.151SC..Hα-helixtrans-61.6-23.9177.600000113.6L908 Y925 F926 L927 P933L908-A929 HydrophobicContact CD1-CB 3.92Å; L908-A929 HydrophobicContact CD2-CB 4.24Å; Y925-A929 PolarHBondContact O-N 3.35Å; F926-A929 WeakPolarHBondContact O-CB 3.47Å; F926-A929 PolarHBondContact O-N 3.09Å; L927-A929 VanDerWaalsContact C-N 3.28Å; L927-A929 PolarHBondContact O-N 3.48Å; A929-P933 WeakPolarHBondContact O-CD 3.42Å; A929-P933 VanDerWaalsContact O-CG 3.31Å; A929-P933 WeakPolarHBondContact O-CG 3.46Å
930V91.5Very high88.2Confident0 Ų033.1 Ų33.10%018%0.18CC..Hα-helixtrans-95.1-43.4172177.10000112.2L615 P905 L908 L927 L928 V932 P933 L934L615-V930 HydrophobicContact CD1-CB 4.02Å; L615-V930 HydrophobicContact CD1-CG1 4.13Å; L615-V930 HydrophobicContact CD1-CG2 3.79Å; L615-V930 HydrophobicContact CD2-CG2 4.47Å; P905-V930 HydrophobicContact CG-CG1 4.2Å; L908-V930 HydrophobicContact CB-CG2 4.39Å; L908-V930 HydrophobicContact CD1-CG2 3.31Å; L908-V930 HydrophobicContact CG-CG2 4.47Å; L927-V930 PolarHBondContact O-N 3.24Å; L927-V930 VanDerWaalsContact O-N 3.16Å; L928-V930 PolarHBondContact O-N 3.46Å; V930-V932 PolarHBondContact O-N 3.15Å; V930-P933 WeakPolarHBondContact O-CD 3.43Å; V930-L934 WeakPolarHBondContact O-CB 3.15Å; V930-L934 PolarHBondContact O-N 2.91Å; V930-L934 VanDerWaalsContact O-N 3.16Å
931L92.1Very high88.3Confident1 Ų134.4 Ų34.41%0.00519%0.187CC..Hα-helixtrans-68.2-35.7-174.3-67.1171.5000112.2L840 L841 L877 V880 L884 L927 L928 L934 G935L840-L931 HydrophobicContact CD1-CD2 4.37Å; L841-L931 HydrophobicContact CD2-CD1 3.88Å; L877-L931 HydrophobicContact CD1-CD1 4.33Å; V880-L931 HydrophobicContact CG1-CB 3.74Å; V880-L931 WeakPolarHBondContact CG1-O 2.98Å; L884-L931 HydrophobicContact CD1-CD2 3.98Å; L927-L931 HydrophobicContact CB-CD1 4.32Å; L927-L931 WeakPolarHBondContact O-CB 3.22Å; L927-L931 VanDerWaalsContact O-CG 3.25Å; L927-L931 WeakPolarHBondContact O-CG 3.36Å; L927-L931 PolarHBondContact O-N 3.12Å; L928-L931 PolarHBondContact O-N 2.72Å; L931-L934 PolarHBondContact O-N 3.07Å; L931-G935 PolarHBondContact O-N 3.32Å
932V92.7Very high88.3Confident61 Ų6134 Ų3437%0.3719%0.189SC..Hα-helixtrans-62.7-55.6178.5171.10000111.2V880 L928 V930 L934 G935 V936V880-V932 HydrophobicContact CG2-CB 4.09Å; V880-V932 HydrophobicContact CG2-CG2 3.5Å; L928-V932 HydrophobicContact CD2-CG2 4.3Å; L928-V932 WeakPolarHBondContact O-CB 3.31Å; L928-V932 VanDerWaalsContact O-CG2 3.27Å; L928-V932 WeakPolarHBondContact O-CG2 3.37Å; L928-V932 PolarHBondContact O-N 2.85Å; V930-V932 PolarHBondContact O-N 3.15Å; V932-L934 VanDerWaalsContact C-N 3.26Å; V932-L934 PolarHBondContact O-N 2.84Å; V932-G935 PolarHBondContact O-N 3.47Å; V932-G935 VanDerWaalsContact O-N 3.14Å; V932-V936 WeakPolarHBondContact O-CG2 3.4Å; V932-V936 PolarHBondContact O-N 3.01Å; V932-V936 VanDerWaalsContact O-N 3.1Å
933P91Very high88.2Confident37 Ų3734.4 Ų34.424%0.2419%0.194CC..Hα-helixtrans-56.9-38.8174.3-25.934000113.3V901 L904 A929 V930 G935 V936 C937V901-P933 HydrophobicContact CG1-CB 4.28Å; V901-P933 HydrophobicContact CG2-CB 3.6Å; L904-P933 HydrophobicContact CD1-CB 4.22Å; L904-P933 HydrophobicContact CD1-CG 4.06Å; A929-P933 WeakPolarHBondContact O-CD 3.42Å; A929-P933 VanDerWaalsContact O-CG 3.31Å; A929-P933 WeakPolarHBondContact O-CG 3.46Å; V930-P933 WeakPolarHBondContact O-CD 3.43Å; P933-G935 PolarHBondContact O-N 3.23Å; P933-V936 WeakPolarHBondContact O-CB 3.46Å; P933-V936 PolarHBondContact O-N 3.23Å; P933-V936 VanDerWaalsContact O-N 3.15Å; P933-C937 PolarHBondContact O-N 3.35Å; P933-C937 PolarHBondContact O-SG 3.22Å
934L89.6Confident88.1Confident2 Ų236.5 Ų36.51%0.0121%0.205CC..Hα-helixtrans-63.7-40.7177-174.165.4000112.3L622 L837 L884 L892 V901 V930 L931 V932 V936 C937 C938L622-L934 HydrophobicContact CD1-CD1 4.17Å; L622-L934 HydrophobicContact CD2-CD1 3.49Å; L622-L934 VanDerWaalsContact CD2-CD1 3.49Å; L622-L934 HydrophobicContact CG-CD1 4.49Å; L837-L934 HydrophobicContact CD2-CD2 3.66Å; L884-L934 HydrophobicContact CD2-CB 4.39Å; L884-L934 HydrophobicContact CD2-CD2 4.07Å; L884-L934 HydrophobicContact CD2-CG 3.86Å; L892-L934 HydrophobicContact CD1-CD1 3.87Å; L892-L934 HydrophobicContact CD2-CD1 4.33Å; V901-L934 HydrophobicContact CG1-CB 4.24Å; V901-L934 HydrophobicContact CG1-CD1 4.29Å; V930-L934 WeakPolarHBondContact O-CB 3.15Å; V930-L934 PolarHBondContact O-N 2.91Å; V930-L934 VanDerWaalsContact O-N 3.16Å; L931-L934 PolarHBondContact O-N 3.07Å; V932-L934 VanDerWaalsContact C-N 3.26Å; V932-L934 PolarHBondContact O-N 2.84Å; L934-V936 VanDerWaalsContact C-N 3.26Å; L934-V936 PolarHBondContact O-N 3.15Å; L934-C937 WeakPolarHBondContact O-CB 3.19Å; L934-C937 PolarHBondContact O-N 3.41Å; L934-C938 PolarHBondContact O-N 3.21Å; L934-C938 PolarHBondContact O-SG 3.38Å; L934-C938 VanDerWaalsContact O-SG 3.37Å
935G87.6Confident87.8Confident0 Ų038.4 Ų38.40%022%0.216CC..Hα-helixtrans-62-34.6173.800000112.6L931 V932 P933 C938L931-G935 PolarHBondContact O-N 3.32Å; V932-G935 PolarHBondContact O-N 3.47Å; V932-G935 VanDerWaalsContact O-N 3.14Å; P933-G935 PolarHBondContact O-N 3.23Å; G935-C938 PolarHBondContact O-N 3.18Å
936V87.4Confident87.6Confident57 Ų5734.7 Ų34.735%0.34521%0.206SC..Hα-helixtrans-69.2-38.9175.4174.70000111.5L897 V932 P933 L934 C938 V939 L940L897-V936 HydrophobicContact CD1-CG1 3.87Å; V932-V936 WeakPolarHBondContact O-CG2 3.4Å; V932-V936 PolarHBondContact O-N 3.01Å; V932-V936 VanDerWaalsContact O-N 3.1Å; P933-V936 WeakPolarHBondContact O-CB 3.46Å; P933-V936 PolarHBondContact O-N 3.23Å; P933-V936 VanDerWaalsContact O-N 3.15Å; L934-V936 VanDerWaalsContact C-N 3.26Å; L934-V936 PolarHBondContact O-N 3.15Å; V936-C938 PolarHBondContact O-N 2.65Å; V936-V939 PolarHBondContact O-N 3.33Å; V936-L940 HydrophobicContact CG1-CD1 3.58Å; V936-L940 HydrophobicContact CG1-CG 4.16Å; V936-L940 PolarHBondContact O-N 3.3Å
937C86.5Confident87.3Confident1 Ų134.6 Ų34.61%0.00721%0.209CC..Hα-helixtrans-58-26.6173-68.40000113.7L892 S895 L897 P933 L934 V939L892-C937 HydrophobicContact CD1-CB 4.1Å; S895-C937 WeakPolarHBondContact CB-O 3.48Å; S895-C937 WeakPolarHBondContact OG-CA 3.33Å; S895-C937 PolarHBondContact OG-O 2.96Å; L897-C937 VanDerWaalsContact CB-SG 3.5Å; P933-C937 PolarHBondContact O-N 3.35Å; P933-C937 PolarHBondContact O-SG 3.22Å; L934-C937 WeakPolarHBondContact O-CB 3.19Å; L934-C937 PolarHBondContact O-N 3.41Å; C937-V939 VanDerWaalsContact C-N 3.25Å; C937-V939 PolarHBondContact O-N 2.99Å
938C81.2Confident87Confident21 Ų2137.3 Ų37.314%0.14223%0.226CC..THydrogen-bonded Turntrans-81.1-7177.8-52.70000112.7C887 L934 G935 V936C887-C938 HydrophobicContact CB-CB 3.85Å; C887-C938 WeakPolarHBondContact CB-SG 3.34Å; C887-C938 WeakPolarHBondContact SG-CB 3.49Å; C887-C938 CovalentContact SG-SG 2.05Å; C887-C938 PolarHBondContact SG-SG 3.29Å; L934-C938 PolarHBondContact O-N 3.21Å; L934-C938 PolarHBondContact O-SG 3.38Å; L934-C938 VanDerWaalsContact O-SG 3.37Å; G935-C938 PolarHBondContact O-N 3.18Å; V936-C938 PolarHBondContact O-N 2.65Å
939V78.7Confident86.5Confident99 Ų9938.8 Ų38.860%0.624%0.236SC*.THydrogen-bonded Turntrans-109.4-36.3179.7-179.50000111.9L883 V936 C937L883-V939 HydrophobicContact CD2-CG2 3.91Å; V936-V939 PolarHBondContact O-N 3.33Å; C937-V939 VanDerWaalsContact C-N 3.25Å; C937-V939 PolarHBondContact O-N 2.99Å
940L67.8Low86Confident143 Ų14338.4 Ų38.475%0.74922%0.224SC*.  trans-105.40-179.8-63.4178.3000111.4S895 L897 V936S895-L940 WeakPolarHBondContact CB-OXT 3.33Å; S895-L940 PolarHBondContact OG-OXT 2.89Å; L897-L940 HydrophobicContact CD1-CB 4.33Å; L897-L940 HydrophobicContact CD1-CD1 3.79Å; V936-L940 HydrophobicContact CG1-CD1 3.58Å; V936-L940 HydrophobicContact CG1-CG 4.16Å; V936-L940 PolarHBondContact O-N 3.3Å

Retrieved 940 of 940 residues in 1245.8 ms (Link to these results)

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