A0A060XP77_ONCMY Loading...

NTF2 domain-containing protein

AlphaFold DB , UniProt , Accession A0A060XP77, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110520388, Length 302 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
1M37.2Very low73.5Confident219 Ų21989.5 Ų89.5100%1.07947%0.472SS*.  0120.40-66.3-71.8-12400106.7V3M1-V3 PolarHBondContact O-N 3.05Å; M1-V3 VanDerWaalsContact O-N 3.16Å
2P49.1Very low74.6Confident110 Ų11082.1 Ų82.171%0.71443%0.433SS*.  trans-67.4117.7175.926.4-24.9000107.4L4P2-L4 VanDerWaalsContact C-N 3.27Å
3V67.6Low75.6Confident90 Ų9085.6 Ų85.655%0.54544%0.442SS..  trans-79.1-19.1-178-174.80000110.8M1 K53M1-V3 PolarHBondContact O-N 3.05Å; M1-V3 VanDerWaalsContact O-N 3.16Å; V3-K53 HydrophobicContact CG1-CB 4.12Å; V3-K53 VanDerWaalsContact CG1-O 3.23Å; V3-K53 WeakPolarHBondContact CG1-O 3.33Å; V3-K53 HydrophobicContact CG2-CG 4.37Å
4L71.7Confident76.4Confident12 Ų1283.8 Ų83.86%0.06343%0.434CS..SBendtrans-94.9140.1178.8-55.6-176.9000111.3P2 E8 T52 T55P2-L4 VanDerWaalsContact C-N 3.27Å; L4-E8 HydrophobicContact CB-CB 4.3Å; L4-T52 HydrophobicContact CD1-CG2 4.3Å; L4-T52 HydrophobicContact CD2-CG2 4.39Å; L4-T55 HydrophobicContact CD1-CG2 4.31Å; L4-T55 HydrophobicContact CD2-CG2 3.51Å; L4-T55 HydrophobicContact CG-CG2 4.48Å
5S80.3Confident77.4Confident52 Ų5278.2 Ų78.236%0.36441%0.405SS..  trans-64.9160169.363.50000111.7T7 E8 R9S5-T7 PolarHBondContact O-N 3.36Å; S5-T7 PolarHBondContact OG-OG1 3.39Å; S5-E8 WeakPolarHBondContact CB-OE2 3.32Å; S5-E8 PolarHBondContact N-OE2 2.94Å; S5-E8 PolarHBondContact O-N 3.25Å; S5-E8 WeakPolarHBondContact OG-CB 3.45Å; S5-E8 VanDerWaalsContact OG-CD 3.27Å; S5-E8 WeakPolarHBondContact OG-CG 3.47Å; S5-E8 PolarHBondContact OG-N 3.02Å; S5-E8 PolarHBondContact OG-OE2 2.85Å; S5-R9 WeakPolarHBondContact O-CB 3.49Å; S5-R9 PolarHBondContact O-N 3.13Å
6D80.7Confident78Confident143 Ų14373.3 Ų73.377%0.76538%0.379SS*.Hα-helixtrans-60.8-33.2-180-70.5-40.6000112.7K10D6-K10 VanDerWaalsContact O-CB 3.3Å; D6-K10 WeakPolarHBondContact O-CB 3.34Å; D6-K10 PolarHBondContact O-N 3.49Å
7T81.9Confident78.4Confident74 Ų7472.8 Ų72.845%0.45440%0.396SS..Hα-helixtrans-70-45176.648.80000111.7S5 K10 G11 W97S5-T7 PolarHBondContact O-N 3.36Å; S5-T7 PolarHBondContact OG-OG1 3.39Å; T7-K10 PolarHBondContact O-N 2.78Å; T7-G11 PolarHBondContact O-N 3.46Å; T7-W97 WeakPolarHBondContact CB-O 3.46Å; T7-W97 PolarHBondContact OG1-O 2.98Å
8E83.5Confident78.7Confident35 Ų3571.7 Ų71.716%0.16439%0.39CS..Hα-helixtrans-63.7-43.4174-71.7171.8120.900111.5L4 S5 K10 G11 C12 T55 W97L4-E8 HydrophobicContact CB-CB 4.3Å; S5-E8 WeakPolarHBondContact CB-OE2 3.32Å; S5-E8 PolarHBondContact N-OE2 2.94Å; S5-E8 PolarHBondContact O-N 3.25Å; S5-E8 WeakPolarHBondContact OG-CB 3.45Å; S5-E8 VanDerWaalsContact OG-CD 3.27Å; S5-E8 WeakPolarHBondContact OG-CG 3.47Å; S5-E8 PolarHBondContact OG-N 3.02Å; S5-E8 PolarHBondContact OG-OE2 2.85Å; E8-K10 VanDerWaalsContact C-N 3.33Å; E8-K10 PolarHBondContact O-N 2.88Å; E8-G11 PolarHBondContact O-N 3.06Å; E8-C12 VanDerWaalsContact O-CB 3.3Å; E8-C12 WeakPolarHBondContact O-CB 3.25Å; E8-C12 PolarHBondContact O-N 3.36Å; E8-C12 PolarHBondContact O-SG 3.21Å; E8-T55 HydrophobicContact CB-CG2 4.07Å; E8-T55 HydrophobicContact CG-CG2 4.25Å; E8-T55 PolarHBondContact OE1-OG1 3.12Å; E8-W97 HydrophobicContact CB-CE3 4.31Å; E8-W97 HydrophobicContact CG-CB 3.79Å; E8-W97 HydrophobicContact CG-CD2 4.43Å; E8-W97 HydrophobicContact CG-CE3 4.05Å; E8-W97 HydrophobicContact CG-CG 4.39Å
9R84.1Confident79.1Confident105 Ų10568.9 Ų68.940%0.39637%0.374SS..Hα-helixtrans-61.8-43.5179.5-164.2175.4-151.5-120.3-1.4111.3S5 K13 L49S5-R9 WeakPolarHBondContact O-CB 3.49Å; S5-R9 PolarHBondContact O-N 3.13Å; R9-K13 WeakPolarHBondContact O-CB 3.36Å; R9-K13 PolarHBondContact O-N 3.07Å; R9-L49 HydrophobicContact CG-CD1 4.45Å; R9-L49 HydrophobicContact CG-CD2 4.2Å
10K85.1Confident79.5Confident142 Ų14268.4 Ų68.462%0.61738%0.376SS*.Hα-helixtrans-65.4-45.4174.7-175.1179.9178.5-175.70111.4D6 T7 E8 K13 N14D6-K10 VanDerWaalsContact O-CB 3.3Å; D6-K10 WeakPolarHBondContact O-CB 3.34Å; D6-K10 PolarHBondContact O-N 3.49Å; T7-K10 PolarHBondContact O-N 2.78Å; E8-K10 VanDerWaalsContact C-N 3.33Å; E8-K10 PolarHBondContact O-N 2.88Å; K10-K13 PolarHBondContact O-N 3.33Å; K10-N14 PolarHBondContact O-N 3.24Å
11G86.8Confident79.6Confident3 Ų372.3 Ų72.33%0.03139%0.385CS..Hα-helixtrans-62.2-47.3179.100000113T7 E8 K13 N14 M15 Y72 W97T7-G11 PolarHBondContact O-N 3.46Å; E8-G11 PolarHBondContact O-N 3.06Å; G11-K13 VanDerWaalsContact C-N 3.35Å; G11-K13 PolarHBondContact O-N 2.83Å; G11-N14 PolarHBondContact O-N 2.78Å; G11-M15 WeakPolarHBondContact O-CB 3.38Å; G11-M15 PolarHBondContact O-N 3.47Å; G11-Y72 WeakPolarHBondContact CA-OH 3.49Å; G11-W97 VanDerWaalsContact C-CZ2 3.48Å
12C86.9Confident81.8Confident0 Ų064 Ų640%036%0.355CS..Hα-helixtrans-57.5-46172.7-77.70000111.6E8 N14 M15 L16 L49 W97E8-C12 VanDerWaalsContact O-CB 3.3Å; E8-C12 WeakPolarHBondContact O-CB 3.25Å; E8-C12 PolarHBondContact O-N 3.36Å; E8-C12 PolarHBondContact O-SG 3.21Å; C12-N14 VanDerWaalsContact C-N 3.34Å; C12-N14 PolarHBondContact O-N 3.41Å; C12-M15 PolarHBondContact O-N 3.16Å; C12-L16 WeakPolarHBondContact O-CB 3.45Å; C12-L16 VanDerWaalsContact O-CG 3.23Å; C12-L16 WeakPolarHBondContact O-CG 3.27Å; C12-L16 PolarHBondContact O-N 3.5Å; C12-L49 HydrophobicContact CB-CD2 3.53Å; C12-W97 HydrophobicContact CB-CH2 4.46Å; C12-W97 WeakPolarHBondContact SG-CH2 3.5Å; C12-W97 VanDerWaalsContact SG-CZ3 3.56Å
13K87.8Confident83.5Confident128 Ų12860.6 Ų60.656%0.55733%0.331SS*.Hα-helixtrans-60.2-43.6178.6-170.2173.2-178.5173.80111.9R9 K10 G11 G17 V45 L49R9-K13 WeakPolarHBondContact O-CB 3.36Å; R9-K13 PolarHBondContact O-N 3.07Å; K10-K13 PolarHBondContact O-N 3.33Å; G11-K13 VanDerWaalsContact C-N 3.35Å; G11-K13 PolarHBondContact O-N 2.83Å; K13-G17 PolarHBondContact O-N 3.33Å; K13-V45 HydrophobicContact CG-CG1 4.26Å; K13-L49 HydrophobicContact CB-CD1 4.12Å; K13-L49 HydrophobicContact CD-CD1 4.46Å; K13-L49 HydrophobicContact CG-CD1 4.36Å
14N86.8Confident84.5Confident60 Ų6056.5 Ų56.532%0.32131%0.306SS..Hα-helixtrans-65-41.6177.4-75.72.2000112.3K10 G11 C12 G17 Y72 E76K10-N14 PolarHBondContact O-N 3.24Å; G11-N14 PolarHBondContact O-N 2.78Å; C12-N14 VanDerWaalsContact C-N 3.34Å; C12-N14 PolarHBondContact O-N 3.41Å; N14-G17 PolarHBondContact O-N 3.46Å; N14-Y72 HydrophobicContact CB-CD2 4.32Å; N14-Y72 HydrophobicContact CB-CE2 3.69Å; N14-E76 PolarHBondContact ND2-OE1 2.93Å
15M91.1Very high85.1Confident0 Ų057.8 Ų57.80%031%0.313CS..Hα-helixtrans-65.6-45.2177.6-175.1-163.469.700111.8G11 C12 G17 I18 L59 V64 V68 I69 Y72G11-M15 WeakPolarHBondContact O-CB 3.38Å; G11-M15 PolarHBondContact O-N 3.47Å; C12-M15 PolarHBondContact O-N 3.16Å; M15-G17 PolarHBondContact O-N 2.97Å; M15-I18 WeakPolarHBondContact O-CB 3.39Å; M15-I18 PolarHBondContact O-N 3.4Å; M15-L59 HydrophobicContact CE-CD2 3.89Å; M15-L59 HydrophobicContact SD-CD2 3.33Å; M15-L59 WeakPolarHBondContact SD-CD2 3.49Å; M15-V64 HydrophobicContact CE-CG1 4.12Å; M15-V64 HydrophobicContact SD-CG1 4.1Å; M15-V68 HydrophobicContact CG-CG1 4.03Å; M15-I69 HydrophobicContact SD-CG1 4.39Å; M15-Y72 HydrophobicContact CB-CD1 4.24Å; M15-Y72 HydrophobicContact CB-CD2 3.81Å; M15-Y72 HydrophobicContact CB-CE2 4.27Å; M15-Y72 HydrophobicContact CB-CG 3.82Å; M15-Y72 HydrophobicContact CG-CD1 4.38Å; M15-Y72 HydrophobicContact CG-CD2 4.46Å; M15-Y72 HydrophobicContact CG-CG 4.01Å
16L87.4Confident85.3Confident0 Ų057.2 Ų57.20%031%0.309CS..Hα-helixtrans-59.8-30.9177.8-70.5171000111.8C12 I18 M19 I24 L27 V45 I48C12-L16 WeakPolarHBondContact O-CB 3.45Å; C12-L16 VanDerWaalsContact O-CG 3.23Å; C12-L16 WeakPolarHBondContact O-CG 3.27Å; C12-L16 PolarHBondContact O-N 3.5Å; L16-I18 PolarHBondContact O-N 2.98Å; L16-M19 HydrophobicContact CD2-SD 3.83Å; L16-M19 WeakPolarHBondContact O-CB 3.28Å; L16-M19 PolarHBondContact O-N 2.95Å; L16-M19 VanDerWaalsContact O-N 3.11Å; L16-I24 WeakPolarHBondContact O-CD1 3.49Å; L16-L27 HydrophobicContact CD2-CD2 3.76Å; L16-V45 HydrophobicContact CB-CG2 4.23Å; L16-V45 HydrophobicContact CD1-CB 4.5Å; L16-V45 HydrophobicContact CD1-CG1 4.02Å; L16-V45 HydrophobicContact CD1-CG2 4.35Å; L16-I48 HydrophobicContact CD1-CB 4.24Å; L16-I48 HydrophobicContact CD1-CD1 4.34Å; L16-I48 HydrophobicContact CD1-CG2 3.9Å; L16-I48 HydrophobicContact CD2-CD1 4.1Å
17G84.5Confident85.6Confident65 Ų6550.4 Ų50.467%0.6727%0.273SS*.THydrogen-bonded Turntrans-65.6-11.7174.700000115.4K13 N14 M15K13-G17 PolarHBondContact O-N 3.33Å; N14-G17 PolarHBondContact O-N 3.46Å; M15-G17 PolarHBondContact O-N 2.97Å
18I85Confident85.8Confident53 Ų5346.9 Ų46.927%0.27225%0.251SS..THydrogen-bonded Turntrans-93.7-13.8176.6-56.3167.2000110.9M15 L16 K71 Y72 K75M15-I18 WeakPolarHBondContact O-CB 3.39Å; M15-I18 PolarHBondContact O-N 3.4Å; L16-I18 PolarHBondContact O-N 2.98Å; I18-K71 HydrophobicContact CG2-CB 4.24Å; I18-K71 HydrophobicContact CG2-CD 4.32Å; I18-Y72 HydrophobicContact CD1-CD2 4.23Å; I18-K75 HydrophobicContact CD1-CD 4.39Å
19M85.6Confident85.9Confident18 Ų1848.2 Ų48.29%0.08926%0.259CS..SBendtrans-82.2156.8-177.6-63.7-17662.900112.4L16 D23 I24 L27 K63 V68L16-M19 HydrophobicContact CD2-SD 3.83Å; L16-M19 WeakPolarHBondContact O-CB 3.28Å; L16-M19 PolarHBondContact O-N 2.95Å; L16-M19 VanDerWaalsContact O-N 3.11Å; M19-D23 HydrophobicContact CE-CB 3.74Å; M19-I24 HydrophobicContact CB-CD1 4.17Å; M19-I24 HydrophobicContact CB-CG1 3.71Å; M19-L27 HydrophobicContact CE-CD2 4.12Å; M19-L27 HydrophobicContact SD-CD2 4.22Å; M19-K63 WeakPolarHBondContact CE-O 3.27Å; M19-V68 HydrophobicContact CG-CG1 3.63Å; M19-V68 HydrophobicContact CG-CG2 4.25Å; M19-V68 HydrophobicContact SD-CG1 4.32Å
20S86.7Confident86Confident59 Ų5946.9 Ų46.941%0.41326%0.263SS..  trans-71.2153.5174.382.40000111.3G22 D23 I24S20-G22 PolarHBondContact O-N 2.62Å; S20-D23 PolarHBondContact O-N 2.93Å; S20-D23 VanDerWaalsContact O-N 3.13Å; S20-D23 VanDerWaalsContact OG-CG 3.23Å; S20-D23 PolarHBondContact OG-N 3.37Å; S20-D23 PolarHBondContact OG-OD2 3.19Å; S20-I24 WeakPolarHBondContact O-CG1 3.28Å; S20-I24 PolarHBondContact O-N 3.41Å
21R82.6Confident85.9Confident150 Ų15041.1 Ų41.157%0.56624%0.239SC*.Hα-helixtrans-51.9-44.3175.2176.8174.2-174.8-135.7-1.2112.2I24 L25 E39 I41R21-I24 PolarHBondContact O-N 3.31Å; R21-L25 HydrophobicContact CG-CD1 4.04Å; R21-L25 WeakPolarHBondContact O-CG 3.47Å; R21-L25 PolarHBondContact O-N 2.7Å; R21-L25 VanDerWaalsContact O-N 3.13Å; R21-E39 PolarHBondContact NH2-O 3.14Å; R21-I41 HydrophobicContact CB-CD1 3.8Å; R21-I41 HydrophobicContact CB-CG1 4.23Å; R21-I41 HydrophobicContact CG-CD1 3.71Å; R21-I41 HydrophobicContact CG-CG1 3.7Å
22G82.3Confident85.8Confident45 Ų4541.1 Ų41.146%0.46424%0.239SC..Hα-helixtrans-66.3-37.2-178.700000113S20 S26S20-G22 PolarHBondContact O-N 2.62Å; G22-S26 WeakPolarHBondContact O-CB 3.24Å; G22-S26 PolarHBondContact O-N 2.94Å
23D86.1Confident85.5Confident38 Ų3847.2 Ų47.220%0.20327%0.271CS..Hα-helixtrans-74.6-34.6178.5-64.5-45.4000112.4M19 S20 S26 L27 K63M19-D23 HydrophobicContact CE-CB 3.74Å; S20-D23 PolarHBondContact O-N 2.93Å; S20-D23 VanDerWaalsContact O-N 3.13Å; S20-D23 VanDerWaalsContact OG-CG 3.23Å; S20-D23 PolarHBondContact OG-N 3.37Å; S20-D23 PolarHBondContact OG-OD2 3.19Å; D23-S26 PolarHBondContact O-N 3.4Å; D23-L27 WeakPolarHBondContact O-CB 3.19Å; D23-L27 PolarHBondContact O-N 2.8Å; D23-K63 IonicContact OD1-NZ 3.15Å; D23-K63 PolarHBondContact OD1-NZ 3.28Å; D23-K63 VanDerWaalsContact OD1-NZ 3.15Å
24I86.9Confident85.3Confident5 Ų548.7 Ų48.73%0.02628%0.278CS..Hα-helixtrans-63.1-47.5174.3-65.6169.7000110.4L16 M19 S20 R21 L27 S28 I41 A44 V45 I48L16-I24 WeakPolarHBondContact O-CD1 3.49Å; M19-I24 HydrophobicContact CB-CD1 4.17Å; M19-I24 HydrophobicContact CB-CG1 3.71Å; S20-I24 WeakPolarHBondContact O-CG1 3.28Å; S20-I24 PolarHBondContact O-N 3.41Å; R21-I24 PolarHBondContact O-N 3.31Å; I24-L27 PolarHBondContact O-N 3.47Å; I24-S28 PolarHBondContact O-N 3.27Å; I24-S28 PolarHBondContact O-OG 3.43Å; I24-I41 HydrophobicContact CD1-CG2 3.96Å; I24-A44 HydrophobicContact CG2-CB 3.69Å; I24-V45 HydrophobicContact CG2-CG2 4.12Å; I24-I48 HydrophobicContact CG2-CD1 4.21Å
25L84.1Confident84.7Confident39 Ų3952.9 Ų52.920%0.20430%0.297CS..Hα-helixtrans-64.2-41.8178.3-67.8170.6000111.8R21 L27 S28 D29 A44R21-L25 HydrophobicContact CG-CD1 4.04Å; R21-L25 WeakPolarHBondContact O-CG 3.47Å; R21-L25 PolarHBondContact O-N 2.7Å; R21-L25 VanDerWaalsContact O-N 3.13Å; L25-L27 VanDerWaalsContact C-N 3.3Å; L25-L27 PolarHBondContact O-N 2.86Å; L25-S28 WeakPolarHBondContact CA-OG 3.46Å; L25-S28 PolarHBondContact O-N 3.19Å; L25-S28 PolarHBondContact O-OG 3.25Å; L25-D29 PolarHBondContact O-N 2.85Å; L25-A44 HydrophobicContact CD2-CB 3.99Å
26S86.1Confident84.1Confident39 Ų3955.2 Ų55.227%0.27331%0.309SS..Hα-helixtrans-67.4-33.3176.2-176.80000112.6G22 D23 T30 K63G22-S26 WeakPolarHBondContact O-CB 3.24Å; G22-S26 PolarHBondContact O-N 2.94Å; D23-S26 PolarHBondContact O-N 3.4Å; S26-T30 PolarHBondContact O-N 2.95Å; S26-T30 PolarHBondContact O-OG1 3.32Å; S26-K63 WeakPolarHBondContact OG-CE 3.38Å
27L87.1Confident83.5Confident1 Ų159.7 Ų59.71%0.00535%0.346CS..Hα-helixtrans-69.8-40.8174.8-17561.1000110.9L16 M19 D23 I24 L25 T30 V31 I48 L58 R61 K63 V64L16-L27 HydrophobicContact CD2-CD2 3.76Å; M19-L27 HydrophobicContact CE-CD2 4.12Å; M19-L27 HydrophobicContact SD-CD2 4.22Å; D23-L27 WeakPolarHBondContact O-CB 3.19Å; D23-L27 PolarHBondContact O-N 2.8Å; I24-L27 PolarHBondContact O-N 3.47Å; L25-L27 VanDerWaalsContact C-N 3.3Å; L25-L27 PolarHBondContact O-N 2.86Å; L27-T30 PolarHBondContact O-N 2.97Å; L27-V31 HydrophobicContact CD1-CG2 4.24Å; L27-V31 HydrophobicContact CG-CG2 4.38Å; L27-V31 VanDerWaalsContact O-CG2 3.28Å; L27-V31 WeakPolarHBondContact O-CG2 3.22Å; L27-V31 PolarHBondContact O-N 2.94Å; L27-I48 HydrophobicContact CB-CD1 4.14Å; L27-I48 HydrophobicContact CD2-CD1 4.08Å; L27-I48 HydrophobicContact CG-CD1 4.01Å; L27-I48 HydrophobicContact CG-CG1 4.49Å; L27-L58 HydrophobicContact CD1-CD1 4.02Å; L27-L58 HydrophobicContact CD2-CD1 4.18Å; L27-L58 HydrophobicContact CG-CD1 4.24Å; L27-R61 HydrophobicContact CD1-CB 4.13Å; L27-K63 HydrophobicContact CB-CB 4.37Å; L27-K63 HydrophobicContact CD1-CB 4.38Å; L27-V64 HydrophobicContact CD1-CG2 4.32Å; L27-V64 HydrophobicContact CD2-CG2 3.88Å
28S86.2Confident83.2Confident0 Ų057.7 Ų57.70%032%0.321CS..Hα-helixtrans-61.3-44.7175.460.30000111.5I24 L25 T30 V31 T32I24-S28 PolarHBondContact O-N 3.27Å; I24-S28 PolarHBondContact O-OG 3.43Å; L25-S28 WeakPolarHBondContact CA-OG 3.46Å; L25-S28 PolarHBondContact O-N 3.19Å; L25-S28 PolarHBondContact O-OG 3.25Å; S28-T30 PolarHBondContact O-N 3.32Å; S28-V31 PolarHBondContact O-N 2.87Å; S28-V31 VanDerWaalsContact O-N 3.13Å; S28-T32 WeakPolarHBondContact O-CB 3.39Å; S28-T32 WeakPolarHBondContact O-CG2 3.43Å; S28-T32 PolarHBondContact O-N 3.05Å; S28-T32 PolarHBondContact O-OG1 3.49Å
29D85.1Confident82.6Confident62 Ų6262.9 Ų62.933%0.33234%0.344SS..Hα-helixtrans-56.3-39.2175.6-77.5-5.1000112.5L25 N33 K34L25-D29 PolarHBondContact O-N 2.85Å; D29-N33 CarbonylContact O-C 3.56Å; D29-N33 WeakPolarHBondContact O-CA 3.36Å; D29-N33 PolarHBondContact O-N 3.13Å; D29-N33 VanDerWaalsContact O-N 3.12Å; D29-K34 HydrophobicContact CB-CG 3.99Å; D29-K34 PolarHBondContact O-N 3.28Å
30T84.9Confident82.4Confident77 Ų7764.8 Ų64.847%0.47235%0.354SS..Hα-helixtrans-73.1-37.3-179.6-53.20000111.6S26 L27 S28S26-T30 PolarHBondContact O-N 2.95Å; S26-T30 PolarHBondContact O-OG1 3.32Å; L27-T30 PolarHBondContact O-N 2.97Å; S28-T30 PolarHBondContact O-N 3.32Å
31V84.4Confident82.2Confident21 Ų2165.3 Ų65.313%0.12735%0.352CS..Hα-helixtrans-78.2-35.7-177.9173.60000111.5L27 S28 N33 L58L27-V31 HydrophobicContact CD1-CG2 4.24Å; L27-V31 HydrophobicContact CG-CG2 4.38Å; L27-V31 VanDerWaalsContact O-CG2 3.28Å; L27-V31 WeakPolarHBondContact O-CG2 3.22Å; L27-V31 PolarHBondContact O-N 2.94Å; S28-V31 PolarHBondContact O-N 2.87Å; S28-V31 VanDerWaalsContact O-N 3.13Å; V31-N33 VanDerWaalsContact C-N 3.33Å; V31-L58 HydrophobicContact CG2-CD1 3.65Å
32T83.7Confident82.2Confident3 Ų362.8 Ų62.82%0.01835%0.353CS..THydrogen-bonded Turntrans-89.2-0.8178.366.80000113S28 K34 M35 I36 A47 Y51S28-T32 WeakPolarHBondContact O-CB 3.39Å; S28-T32 WeakPolarHBondContact O-CG2 3.43Å; S28-T32 PolarHBondContact O-N 3.05Å; S28-T32 PolarHBondContact O-OG1 3.49Å; T32-K34 PolarHBondContact O-N 3.39Å; T32-K34 PolarHBondContact OG1-N 3.04Å; T32-M35 WeakPolarHBondContact O-CB 3.23Å; T32-M35 WeakPolarHBondContact O-CG 3.45Å; T32-M35 PolarHBondContact O-N 3.15Å; T32-I36 HydrophobicContact CG2-CB 4.16Å; T32-I36 HydrophobicContact CG2-CD1 3.83Å; T32-I36 HydrophobicContact CG2-CG1 4.22Å; T32-A47 HydrophobicContact CG2-CB 4.08Å; T32-Y51 HydrophobicContact CG2-CD2 4.34Å; T32-Y51 HydrophobicContact CG2-CG 4.39Å
33N81.4Confident82.4Confident128 Ų12865 Ų6568%0.68435%0.352SS*.THydrogen-bonded Turntrans50.538.9-170.7-166.432.6000112.2D29 V31 M35D29-N33 CarbonylContact O-C 3.56Å; D29-N33 WeakPolarHBondContact O-CA 3.36Å; D29-N33 PolarHBondContact O-N 3.13Å; D29-N33 VanDerWaalsContact O-N 3.12Å; V31-N33 VanDerWaalsContact C-N 3.33Å; N33-M35 PolarHBondContact O-N 3.46Å
34K82.6Confident82.4Confident159 Ų15963.2 Ų63.269%0.69134%0.342SS*.THydrogen-bonded Turntrans55.916.4-175.3-58.2-178.5176.3-176.40115.3D29 T32 I36D29-K34 HydrophobicContact CB-CG 3.99Å; D29-K34 PolarHBondContact O-N 3.28Å; T32-K34 PolarHBondContact O-N 3.39Å; T32-K34 PolarHBondContact OG1-N 3.04Å; K34-I36 PolarHBondContact O-N 3.42Å
35M75.3Confident82.4Confident148 Ų14863.8 Ų63.873%0.72935%0.346SS*.  trans-77.2-10.1178.5-61.9-162.8-60.900113T32 N33T32-M35 WeakPolarHBondContact O-CB 3.23Å; T32-M35 WeakPolarHBondContact O-CG 3.45Å; T32-M35 PolarHBondContact O-N 3.15Å; N33-M35 PolarHBondContact O-N 3.46Å
36I78.1Confident82.4Confident50 Ų5067.4 Ų67.426%0.25636%0.362SS..SBendtrans-126.4117179.3-53.6176.9000107.1T32 K34 V38 Y51T32-I36 HydrophobicContact CG2-CB 4.16Å; T32-I36 HydrophobicContact CG2-CD1 3.83Å; T32-I36 HydrophobicContact CG2-CG1 4.22Å; K34-I36 PolarHBondContact O-N 3.42Å; I36-V38 HydrophobicContact CB-CG2 4.44Å; I36-V38 HydrophobicContact CG2-CG2 3.87Å; I36-V38 PolarHBondContact O-N 3.39Å; I36-Y51 HydrophobicContact CD1-CD2 3.78Å; I36-Y51 HydrophobicContact CD1-CE1 4.09Å; I36-Y51 HydrophobicContact CD1-CE2 3.14Å; I36-Y51 HydrophobicContact CD1-CG 4.48Å; I36-Y51 WeakPolarHBondContact CD1-OH 3.16Å
37A74.6Confident82.4Confident94 Ų9466 Ų6678%0.77735%0.353SS*.  trans-76.1121.7171.100000108.1
38V78Confident82.4Confident23 Ų2366 Ų6614%0.13935%0.352CS..  trans-121.4123-178.8-171.20000109.9I36 N40 E43 A44 A47I36-V38 HydrophobicContact CB-CG2 4.44Å; I36-V38 HydrophobicContact CG2-CG2 3.87Å; I36-V38 PolarHBondContact O-N 3.39Å; V38-N40 WeakPolarHBondContact CG1-O 3.35Å; V38-E43 HydrophobicContact CG1-CB 3.48Å; V38-E43 VanDerWaalsContact CG1-CB 3.48Å; V38-A44 HydrophobicContact CB-CB 4.48Å; V38-A44 VanDerWaalsContact CG1-CA 3.49Å; V38-A44 HydrophobicContact CG1-CB 3.66Å; V38-A47 HydrophobicContact CG2-CB 4.23Å
39E73.9Confident82.5Confident161 Ų16166.6 Ų66.675%0.75236%0.356SS*.  trans-101.2-26.3-173.4-62.3-172.8172.500112.8R21R21-E39 PolarHBondContact NH2-O 3.14Å
40N80.3Confident82.4Confident58 Ų5867.2 Ų67.231%0.3137%0.365SS..SBendtrans-124.1158.5-17668.761.2000113.5V38 T42 E43 A44V38-N40 WeakPolarHBondContact CG1-O 3.35Å; N40-T42 VanDerWaalsContact C-N 3.3Å; N40-T42 PolarHBondContact O-N 3.15Å; N40-T42 PolarHBondContact OD1-N 3.02Å; N40-E43 PolarHBondContact ND2-OE1 3.13Å; N40-E43 PolarHBondContact ND2-OE2 3.24Å; N40-E43 VanDerWaalsContact OD1-CB 3.28Å; N40-E43 WeakPolarHBondContact OD1-CB 3.34Å; N40-E43 VanDerWaalsContact OD1-CG 3.27Å; N40-E43 WeakPolarHBondContact OD1-CG 3.41Å; N40-E43 PolarHBondContact OD1-N 2.68Å; N40-A44 WeakPolarHBondContact O-CB 3.16Å; N40-A44 PolarHBondContact O-N 3.11Å; N40-A44 VanDerWaalsContact O-N 3.07Å
41I83.1Confident82.4Confident70 Ų7069.6 Ų69.636%0.35937%0.366SS..Hα-helixtrans-63.4-38.5-175.2-63.7173.8000111.1R21 I24 A44 V45R21-I41 HydrophobicContact CB-CD1 3.8Å; R21-I41 HydrophobicContact CB-CG1 4.23Å; R21-I41 HydrophobicContact CG-CD1 3.71Å; R21-I41 HydrophobicContact CG-CG1 3.7Å; I24-I41 HydrophobicContact CD1-CG2 3.96Å; I41-A44 PolarHBondContact O-N 3.17Å; I41-V45 HydrophobicContact CG2-CG2 4.36Å; I41-V45 WeakPolarHBondContact O-CG2 3.23Å; I41-V45 PolarHBondContact O-N 2.75Å
42T82.9Confident82.4Confident97 Ų9768.9 Ų68.960%0.59536%0.362SS*.Hα-helixtrans-64.5-50-176.3-50.60000110.9N40 A44 V45 E46N40-T42 VanDerWaalsContact C-N 3.3Å; N40-T42 PolarHBondContact O-N 3.15Å; N40-T42 PolarHBondContact OD1-N 3.02Å; T42-A44 PolarHBondContact O-N 3.1Å; T42-V45 PolarHBondContact O-N 2.97Å; T42-E46 WeakPolarHBondContact O-CG 3.21Å; T42-E46 PolarHBondContact O-N 2.67Å
43E85.2Confident82.1Confident92 Ų9276.7 Ų76.743%0.4340%0.396SS..Hα-helixtrans-60.7-35.6173.5-75.3169.4-160.500111.5V38 N40 E46 A47V38-E43 HydrophobicContact CG1-CB 3.48Å; V38-E43 VanDerWaalsContact CG1-CB 3.48Å; N40-E43 PolarHBondContact ND2-OE1 3.13Å; N40-E43 PolarHBondContact ND2-OE2 3.24Å; N40-E43 VanDerWaalsContact OD1-CB 3.28Å; N40-E43 WeakPolarHBondContact OD1-CB 3.34Å; N40-E43 VanDerWaalsContact OD1-CG 3.27Å; N40-E43 WeakPolarHBondContact OD1-CG 3.41Å; N40-E43 PolarHBondContact OD1-N 2.68Å; E43-E46 PolarHBondContact O-N 3.17Å; E43-A47 VanDerWaalsContact O-CB 3.25Å; E43-A47 WeakPolarHBondContact O-CB 3.45Å; E43-A47 PolarHBondContact O-N 2.91Å
44A86.4Confident82.1Confident0 Ų073.6 Ų73.60%038%0.379CS..Hα-helixtrans-68.4-41.8-179.100000111.2I24 L25 V38 N40 I41 T42 A47 I48I24-A44 HydrophobicContact CG2-CB 3.69Å; L25-A44 HydrophobicContact CD2-CB 3.99Å; V38-A44 HydrophobicContact CB-CB 4.48Å; V38-A44 VanDerWaalsContact CG1-CA 3.49Å; V38-A44 HydrophobicContact CG1-CB 3.66Å; N40-A44 WeakPolarHBondContact O-CB 3.16Å; N40-A44 PolarHBondContact O-N 3.11Å; N40-A44 VanDerWaalsContact O-N 3.07Å; I41-A44 PolarHBondContact O-N 3.17Å; T42-A44 PolarHBondContact O-N 3.1Å; A44-A47 PolarHBondContact O-N 3.34Å; A44-I48 WeakPolarHBondContact O-CB 3.36Å; A44-I48 WeakPolarHBondContact O-CD1 3.37Å; A44-I48 WeakPolarHBondContact O-CG1 3.33Å; A44-I48 PolarHBondContact O-N 2.96Å
45V86.9Confident82.1Confident18 Ų1866.5 Ų66.511%0.10935%0.349CS..Hα-helixtrans-63.6-44.7173.3171.30000110.6K13 L16 I24 I41 T42 I48 L49K13-V45 HydrophobicContact CG-CG1 4.26Å; L16-V45 HydrophobicContact CB-CG2 4.23Å; L16-V45 HydrophobicContact CD1-CB 4.5Å; L16-V45 HydrophobicContact CD1-CG1 4.02Å; L16-V45 HydrophobicContact CD1-CG2 4.35Å; I24-V45 HydrophobicContact CG2-CG2 4.12Å; I41-V45 HydrophobicContact CG2-CG2 4.36Å; I41-V45 WeakPolarHBondContact O-CG2 3.23Å; I41-V45 PolarHBondContact O-N 2.75Å; T42-V45 PolarHBondContact O-N 2.97Å; V45-I48 PolarHBondContact O-N 3.01Å; V45-L49 HydrophobicContact CG1-CD1 3.91Å; V45-L49 HydrophobicContact CG1-CG 4.4Å; V45-L49 WeakPolarHBondContact O-CB 3.46Å; V45-L49 VanDerWaalsContact O-CG 3.24Å; V45-L49 WeakPolarHBondContact O-CG 3.16Å; V45-L49 PolarHBondContact O-N 2.86Å
46E85.2Confident82.6Confident114 Ų11463 Ų6353%0.53333%0.331SS..Hα-helixtrans-64.5-40.1177.9-72.8-170.4157.900112.7T42 E43 L49 S50T42-E46 WeakPolarHBondContact O-CG 3.21Å; T42-E46 PolarHBondContact O-N 2.67Å; E43-E46 PolarHBondContact O-N 3.17Å; E46-L49 PolarHBondContact O-N 3.47Å; E46-S50 VanDerWaalsContact O-CB 3.27Å; E46-S50 WeakPolarHBondContact O-CB 3.17Å; E46-S50 PolarHBondContact O-N 3.27Å; E46-S50 PolarHBondContact O-OG 3.02Å
47A85.4Confident82.8Confident10 Ų1066 Ų668%0.08334%0.344CS..Hα-helixtrans-63-47174.300000111.2T32 V38 E43 A44 L49 S50 Y51T32-A47 HydrophobicContact CG2-CB 4.08Å; V38-A47 HydrophobicContact CG2-CB 4.23Å; E43-A47 VanDerWaalsContact O-CB 3.25Å; E43-A47 WeakPolarHBondContact O-CB 3.45Å; E43-A47 PolarHBondContact O-N 2.91Å; A44-A47 PolarHBondContact O-N 3.34Å; A47-L49 VanDerWaalsContact C-N 3.34Å; A47-L49 PolarHBondContact O-N 3.2Å; A47-S50 PolarHBondContact O-N 3.29Å; A47-Y51 WeakPolarHBondContact O-CB 3.33Å; A47-Y51 WeakPolarHBondContact O-CD2 3.38Å; A47-Y51 PolarHBondContact O-N 3.21Å
48I88Confident83.4Confident0 Ų061.5 Ų61.50%031%0.307CS..Hα-helixtrans-57.8-48.4175.7-68.8161.5000110.3L16 I24 L27 A44 V45 S50 Y51 T52 L58L16-I48 HydrophobicContact CD1-CB 4.24Å; L16-I48 HydrophobicContact CD1-CD1 4.34Å; L16-I48 HydrophobicContact CD1-CG2 3.9Å; L16-I48 HydrophobicContact CD2-CD1 4.1Å; I24-I48 HydrophobicContact CG2-CD1 4.21Å; L27-I48 HydrophobicContact CB-CD1 4.14Å; L27-I48 HydrophobicContact CD2-CD1 4.08Å; L27-I48 HydrophobicContact CG-CD1 4.01Å; L27-I48 HydrophobicContact CG-CG1 4.49Å; A44-I48 WeakPolarHBondContact O-CB 3.36Å; A44-I48 WeakPolarHBondContact O-CD1 3.37Å; A44-I48 WeakPolarHBondContact O-CG1 3.33Å; A44-I48 PolarHBondContact O-N 2.96Å; V45-I48 PolarHBondContact O-N 3.01Å; I48-S50 VanDerWaalsContact C-N 3.26Å; I48-S50 PolarHBondContact O-N 2.83Å; I48-Y51 PolarHBondContact O-N 2.99Å; I48-T52 WeakPolarHBondContact O-CB 3.41Å; I48-T52 PolarHBondContact O-N 3.25Å; I48-T52 PolarHBondContact O-OG1 3.25Å; I48-L58 HydrophobicContact CG2-CD1 3.96Å; I48-L58 HydrophobicContact CG2-CD2 4.02Å
49L86.8Confident83.8Confident14 Ų1460.4 Ų60.47%0.07330%0.3CS..Hα-helixtrans-66.6-25.7-179.1-68173.7000113.5R9 C12 K13 V45 E46 A47R9-L49 HydrophobicContact CG-CD1 4.45Å; R9-L49 HydrophobicContact CG-CD2 4.2Å; C12-L49 HydrophobicContact CB-CD2 3.53Å; K13-L49 HydrophobicContact CB-CD1 4.12Å; K13-L49 HydrophobicContact CD-CD1 4.46Å; K13-L49 HydrophobicContact CG-CD1 4.36Å; V45-L49 HydrophobicContact CG1-CD1 3.91Å; V45-L49 HydrophobicContact CG1-CG 4.4Å; V45-L49 WeakPolarHBondContact O-CB 3.46Å; V45-L49 VanDerWaalsContact O-CG 3.24Å; V45-L49 WeakPolarHBondContact O-CG 3.16Å; V45-L49 PolarHBondContact O-N 2.86Å; E46-L49 PolarHBondContact O-N 3.47Å; A47-L49 VanDerWaalsContact C-N 3.34Å; A47-L49 PolarHBondContact O-N 3.2Å
50S84.1Confident84.3Confident75 Ų7558.4 Ų58.452%0.52429%0.289SS..Hα-helixtrans-88.4-29.8-177.7-56.90000112.9E46 A47 I48E46-S50 VanDerWaalsContact O-CB 3.27Å; E46-S50 WeakPolarHBondContact O-CB 3.17Å; E46-S50 PolarHBondContact O-N 3.27Å; E46-S50 PolarHBondContact O-OG 3.02Å; A47-S50 PolarHBondContact O-N 3.29Å; I48-S50 VanDerWaalsContact C-N 3.26Å; I48-S50 PolarHBondContact O-N 2.83Å
51Y84.3Confident84.3Confident126 Ų12658.9 Ų58.949%0.49429%0.286SS..Hα-helixtrans-105.8-7.2-176-72.3-92.8000113.9T32 I36 A47 I48 K53T32-Y51 HydrophobicContact CG2-CD2 4.34Å; T32-Y51 HydrophobicContact CG2-CG 4.39Å; I36-Y51 HydrophobicContact CD1-CD2 3.78Å; I36-Y51 HydrophobicContact CD1-CE1 4.09Å; I36-Y51 HydrophobicContact CD1-CE2 3.14Å; I36-Y51 HydrophobicContact CD1-CG 4.48Å; I36-Y51 WeakPolarHBondContact CD1-OH 3.16Å; A47-Y51 WeakPolarHBondContact O-CB 3.33Å; A47-Y51 WeakPolarHBondContact O-CD2 3.38Å; A47-Y51 PolarHBondContact O-N 3.21Å; I48-Y51 PolarHBondContact O-N 2.99Å; Y51-K53 PolarHBondContact O-N 3.36Å
52T84.1Confident84Confident7 Ų764.7 Ų64.74%0.04331%0.309CS..  trans-74119.5169.8-60.60000110.2L4 I48 D54 L58L4-T52 HydrophobicContact CD1-CG2 4.3Å; L4-T52 HydrophobicContact CD2-CG2 4.39Å; I48-T52 WeakPolarHBondContact O-CB 3.41Å; I48-T52 PolarHBondContact O-N 3.25Å; I48-T52 PolarHBondContact O-OG1 3.25Å; T52-D54 WeakPolarHBondContact CG2-O 3.46Å; T52-L58 HydrophobicContact CG2-CB 3.92Å; T52-L58 HydrophobicContact CG2-CD2 4.06Å; T52-L58 HydrophobicContact CG2-CG 4.41Å
53K78.1Confident84.1Confident167 Ų16763.4 Ų63.473%0.72630%0.295SS*.SBendtrans-97.3-26.9173.6-61.5-177.3-177.8176.70112.9V3 Y51V3-K53 HydrophobicContact CG1-CB 4.12Å; V3-K53 VanDerWaalsContact CG1-O 3.23Å; V3-K53 WeakPolarHBondContact CG1-O 3.33Å; V3-K53 HydrophobicContact CG2-CG 4.37Å; Y51-K53 PolarHBondContact O-N 3.36Å
54D81.9Confident84.1Confident63 Ų6359 Ų5934%0.33728%0.275SS..  trans-134116.3-176.6-174.6-31000109.2T52 E56 E57 L58T52-D54 WeakPolarHBondContact CG2-O 3.46Å; D54-E56 WeakPolarHBondContact OD1-CA 3.47Å; D54-E56 WeakPolarHBondContact OD1-CB 3.17Å; D54-E56 PolarHBondContact OD1-N 3.42Å; D54-E57 HydrophobicContact CB-CB 4.07Å; D54-E57 HydrophobicContact CB-CG 3.97Å; D54-E57 PolarHBondContact OD1-N 3.45Å; D54-E57 VanDerWaalsContact OD1-N 3.1Å; D54-L58 PolarHBondContact O-N 2.98Å; D54-L58 VanDerWaalsContact O-N 3.15Å
55T82.6Confident83.9Confident10 Ų1063.1 Ų63.16%0.06129%0.294CS..Hα-helixtrans-67.3-34.3178.436.60000112.3L4 E8 L58 L59 L94 W97L4-T55 HydrophobicContact CD1-CG2 4.31Å; L4-T55 HydrophobicContact CD2-CG2 3.51Å; L4-T55 HydrophobicContact CG-CG2 4.48Å; E8-T55 HydrophobicContact CB-CG2 4.07Å; E8-T55 HydrophobicContact CG-CG2 4.25Å; E8-T55 PolarHBondContact OE1-OG1 3.12Å; T55-L58 PolarHBondContact O-N 2.66Å; T55-L59 WeakPolarHBondContact O-CB 3.48Å; T55-L59 WeakPolarHBondContact O-CD1 3.3Å; T55-L59 WeakPolarHBondContact O-CG 3.4Å; T55-L59 PolarHBondContact O-N 3.07Å; T55-L94 WeakPolarHBondContact OG1-CD2 3.33Å; T55-W97 HydrophobicContact CG2-CE3 4.07Å; T55-W97 HydrophobicContact CG2-CZ3 3.75Å
56E83.9Confident83.9Confident75 Ų7567.1 Ų67.135%0.3531%0.307SS..Hα-helixtrans-65.7-46.7176.1-171.2175171.200111D54 L58 L59 K60 V90 L94D54-E56 WeakPolarHBondContact OD1-CA 3.47Å; D54-E56 WeakPolarHBondContact OD1-CB 3.17Å; D54-E56 PolarHBondContact OD1-N 3.42Å; E56-L58 VanDerWaalsContact C-N 3.3Å; E56-L58 PolarHBondContact O-N 2.85Å; E56-L59 PolarHBondContact O-N 3.29Å; E56-K60 HydrophobicContact CG-CD 4.1Å; E56-K60 WeakPolarHBondContact O-CB 3.21Å; E56-K60 WeakPolarHBondContact O-CG 3.38Å; E56-K60 PolarHBondContact O-N 2.77Å; E56-K60 VanDerWaalsContact OE1-CE 3.22Å; E56-K60 WeakPolarHBondContact OE1-CE 2.94Å; E56-K60 IonicContact OE1-NZ 3.15Å; E56-K60 PolarHBondContact OE1-NZ 2.94Å; E56-V90 HydrophobicContact CG-CG1 3.94Å; E56-L94 HydrophobicContact CB-CD1 3.68Å; E56-L94 HydrophobicContact CB-CD2 4.43Å; E56-L94 HydrophobicContact CG-CD1 3.75Å
57E83.9Confident83.9Confident111 Ų11164.8 Ų64.852%0.51930%0.298SS..Hα-helixtrans-62-39.2175.6-72.7-168167.800111.8D54 K60 R61D54-E57 HydrophobicContact CB-CB 4.07Å; D54-E57 HydrophobicContact CB-CG 3.97Å; D54-E57 PolarHBondContact OD1-N 3.45Å; D54-E57 VanDerWaalsContact OD1-N 3.1Å; E57-K60 PolarHBondContact O-N 3.28Å; E57-R61 WeakPolarHBondContact O-CG 3.34Å; E57-R61 PolarHBondContact O-N 3.23Å; E57-R61 PolarHBondContact O-NH1 3.42Å
58L85.9Confident83.9Confident0 Ų064.9 Ų64.90%030%0.297CS..Hα-helixtrans-60.7-48.7176.6-175.771.1000110.5L27 V31 I48 T52 D54 T55 E56 K60 R61 V64L27-L58 HydrophobicContact CD1-CD1 4.02Å; L27-L58 HydrophobicContact CD2-CD1 4.18Å; L27-L58 HydrophobicContact CG-CD1 4.24Å; V31-L58 HydrophobicContact CG2-CD1 3.65Å; I48-L58 HydrophobicContact CG2-CD1 3.96Å; I48-L58 HydrophobicContact CG2-CD2 4.02Å; T52-L58 HydrophobicContact CG2-CB 3.92Å; T52-L58 HydrophobicContact CG2-CD2 4.06Å; T52-L58 HydrophobicContact CG2-CG 4.41Å; D54-L58 PolarHBondContact O-N 2.98Å; D54-L58 VanDerWaalsContact O-N 3.15Å; T55-L58 PolarHBondContact O-N 2.66Å; E56-L58 VanDerWaalsContact C-N 3.3Å; E56-L58 PolarHBondContact O-N 2.85Å; L58-K60 VanDerWaalsContact C-N 3.28Å; L58-K60 PolarHBondContact O-N 3.03Å; L58-R61 WeakPolarHBondContact O-CB 3.44Å; L58-R61 PolarHBondContact O-N 2.89Å; L58-V64 WeakPolarHBondContact O-CG2 3.4Å
59L86.9Confident84Confident0 Ų064.9 Ų64.90%030%0.297CS..Hα-helixtrans-65.8-29.4-179.6-67.8168.3000112.7M15 T55 E56 V64 I69 K86 V90 T93 L94 W97M15-L59 HydrophobicContact CE-CD2 3.89Å; M15-L59 HydrophobicContact SD-CD2 3.33Å; M15-L59 WeakPolarHBondContact SD-CD2 3.49Å; T55-L59 WeakPolarHBondContact O-CB 3.48Å; T55-L59 WeakPolarHBondContact O-CD1 3.3Å; T55-L59 WeakPolarHBondContact O-CG 3.4Å; T55-L59 PolarHBondContact O-N 3.07Å; E56-L59 PolarHBondContact O-N 3.29Å; L59-V64 HydrophobicContact CD2-CG1 4.33Å; L59-I69 HydrophobicContact CD2-CD1 4.33Å; L59-I69 HydrophobicContact CD2-CG1 4.25Å; L59-K86 WeakPolarHBondContact O-CE 3.3Å; L59-K86 PolarHBondContact O-NZ 3.28Å; L59-V90 HydrophobicContact CB-CB 4.33Å; L59-V90 HydrophobicContact CB-CG1 3.93Å; L59-V90 HydrophobicContact CB-CG2 3.61Å; L59-V90 HydrophobicContact CD1-CG1 3.97Å; L59-T93 HydrophobicContact CD1-CG2 3.83Å; L59-T93 HydrophobicContact CD2-CG2 4.44Å; L59-L94 HydrophobicContact CD1-CD2 4.2Å; L59-L94 HydrophobicContact CD1-CG 4.35Å; L59-W97 HydrophobicContact CD1-CH2 4.08Å; L59-W97 HydrophobicContact CD1-CZ3 3.88Å; L59-W97 HydrophobicContact CD2-CH2 4.1Å; L59-W97 HydrophobicContact CG-CH2 4.37Å; L59-W97 HydrophobicContact CG-CZ3 4.45Å
60K83.9Confident83.9Confident120 Ų12066.5 Ų66.552%0.52230%0.304SS..Hα-helixtrans-74.4-22.4176.2-76.5172172.8171.90113.6E56 E57 L58 K86E56-K60 HydrophobicContact CG-CD 4.1Å; E56-K60 WeakPolarHBondContact O-CB 3.21Å; E56-K60 WeakPolarHBondContact O-CG 3.38Å; E56-K60 PolarHBondContact O-N 2.77Å; E56-K60 VanDerWaalsContact OE1-CE 3.22Å; E56-K60 WeakPolarHBondContact OE1-CE 2.94Å; E56-K60 IonicContact OE1-NZ 3.15Å; E56-K60 PolarHBondContact OE1-NZ 2.94Å; E57-K60 PolarHBondContact O-N 3.28Å; L58-K60 VanDerWaalsContact C-N 3.28Å; L58-K60 PolarHBondContact O-N 3.03Å; K60-K86 PolarHBondContact O-NZ 3.35Å
61R81.8Confident83.8Confident68 Ų6868.1 Ų68.126%0.25730%0.302SS..SBendtrans-56.6147-178.2-78.5170.3171.279.3-2.7112.8L27 E57 L58 K63 V64 K86L27-R61 HydrophobicContact CD1-CB 4.13Å; E57-R61 WeakPolarHBondContact O-CG 3.34Å; E57-R61 PolarHBondContact O-N 3.23Å; E57-R61 PolarHBondContact O-NH1 3.42Å; L58-R61 WeakPolarHBondContact O-CB 3.44Å; L58-R61 PolarHBondContact O-N 2.89Å; R61-K63 PolarHBondContact O-N 3Å; R61-K63 VanDerWaalsContact O-N 3.14Å; R61-V64 PolarHBondContact O-N 3.37Å; R61-K86 PolarHBondContact O-NZ 2.86Å
62K75.3Confident84.1Confident191 Ų19162.2 Ų62.283%0.8328%0.279SS*.THydrogen-bonded Turntrans-56.9-32.4-173.4-170.1175.8-178.6178.20113.6
63K84.8Confident84Confident71 Ų7161.9 Ų61.931%0.30928%0.277SS..THydrogen-bonded Turntrans-77.3-19.6-179.8-68-61.2-169.7166.80114.4M19 D23 S26 L27 R61 H65M19-K63 WeakPolarHBondContact CE-O 3.27Å; D23-K63 IonicContact OD1-NZ 3.15Å; D23-K63 PolarHBondContact OD1-NZ 3.28Å; D23-K63 VanDerWaalsContact OD1-NZ 3.15Å; S26-K63 WeakPolarHBondContact OG-CE 3.38Å; L27-K63 HydrophobicContact CB-CB 4.37Å; L27-K63 HydrophobicContact CD1-CB 4.38Å; R61-K63 PolarHBondContact O-N 3Å; R61-K63 VanDerWaalsContact O-N 3.14Å; K63-H65 PolarHBondContact O-CD2 3.24Å; K63-H65 PolarHBondContact O-N 3.43Å
64V85.3Confident84.2Confident0 Ų056.7 Ų56.70%027%0.265CS..SBendtrans-87.793.9171.3-173.90000107.3M15 L27 L58 L59 R61 I69 K86M15-V64 HydrophobicContact CE-CG1 4.12Å; M15-V64 HydrophobicContact SD-CG1 4.1Å; L27-V64 HydrophobicContact CD1-CG2 4.32Å; L27-V64 HydrophobicContact CD2-CG2 3.88Å; L58-V64 WeakPolarHBondContact O-CG2 3.4Å; L59-V64 HydrophobicContact CD2-CG1 4.33Å; R61-V64 PolarHBondContact O-N 3.37Å; V64-I69 HydrophobicContact CG1-CD1 3.86Å; V64-I69 HydrophobicContact CG1-CG1 3.67Å; V64-K86 WeakPolarHBondContact O-CE 3.46Å; V64-K86 PolarHBondContact O-NZ 2.91Å
65H82Confident84.1Confident86 Ų8661.1 Ų61.140%0.39828%0.281SS..  trans-75.7157.4-176.7-69.5-83.9000112.1K63 D67 V68 I69K63-H65 PolarHBondContact O-CD2 3.24Å; K63-H65 PolarHBondContact O-N 3.43Å; H65-D67 WeakPolarHBondContact CB-OD1 3.05Å; H65-D67 PolarHBondContact O-N 3.23Å; H65-V68 HydrophobicContact CB-CG2 4.29Å; H65-V68 WeakPolarHBondContact O-CB 3.22Å; H65-V68 PolarHBondContact O-N 2.59Å; H65-I69 PolarHBondContact O-N 3.28Å
66R88.1Confident84Confident101 Ų10163.6 Ų63.638%0.38129%0.292SS..Hα-helixtrans-54.5-43.3178.8-173-170.78286.3-3.7111.6V68 I69 F70 P82 S84 K86 L89R66-V68 VanDerWaalsContact C-N 3.33Å; R66-V68 PolarHBondContact O-N 2.76Å; R66-I69 PolarHBondContact O-N 3.33Å; R66-F70 WeakPolarHBondContact O-CB 3.36Å; R66-F70 PolarHBondContact O-N 3.39Å; R66-P82 PolarHBondContact NH1-O 3.18Å; R66-P82 PolarHBondContact NH2-O 2.94Å; R66-P82 VanDerWaalsContact NH2-O 3.16Å; R66-S84 WeakPolarHBondContact CD-O 3.41Å; R66-S84 PolarHBondContact NH1-O 3.41Å; R66-K86 HydrophobicContact CB-CB 4.17Å; R66-K86 HydrophobicContact CG-CB 4.15Å; R66-L89 HydrophobicContact CG-CD1 3.54Å; R66-L89 WeakPolarHBondContact O-CD1 3.48Å
67D84.1Confident83.4Confident65 Ų6562.3 Ų62.335%0.34830%0.299SS..Hα-helixtrans-66.8-33.2-177.774-50.7000112.3H65 F70 K71H65-D67 WeakPolarHBondContact CB-OD1 3.05Å; H65-D67 PolarHBondContact O-N 3.23Å; D67-F70 PolarHBondContact O-N 3.41Å; D67-K71 VanDerWaalsContact O-CB 3.27Å; D67-K71 WeakPolarHBondContact O-CB 3.34Å; D67-K71 WeakPolarHBondContact O-CD 3.48Å; D67-K71 WeakPolarHBondContact O-CG 3.34Å; D67-K71 PolarHBondContact O-N 3.46Å; D67-K71 IonicContact OD2-NZ 2.98Å; D67-K71 PolarHBondContact OD2-NZ 2.97Å
68V86.9Confident83.2Confident12 Ų1257.2 Ų57.27%0.07328%0.276CS..Hα-helixtrans-62.6-48.4174.6175.30000110.5M15 M19 H65 R66 F70 K71 Y72M15-V68 HydrophobicContact CG-CG1 4.03Å; M19-V68 HydrophobicContact CG-CG1 3.63Å; M19-V68 HydrophobicContact CG-CG2 4.25Å; M19-V68 HydrophobicContact SD-CG1 4.32Å; H65-V68 HydrophobicContact CB-CG2 4.29Å; H65-V68 WeakPolarHBondContact O-CB 3.22Å; H65-V68 PolarHBondContact O-N 2.59Å; R66-V68 VanDerWaalsContact C-N 3.33Å; R66-V68 PolarHBondContact O-N 2.76Å; V68-F70 VanDerWaalsContact C-N 3.34Å; V68-K71 PolarHBondContact O-N 3.37Å; V68-Y72 VanDerWaalsContact O-CB 3.31Å; V68-Y72 WeakPolarHBondContact O-CB 3.48Å; V68-Y72 PolarHBondContact O-N 2.82Å
69I88.9Confident82.5Confident0 Ų062.9 Ų62.90%031%0.31CS..Hα-helixtrans-66.9-39.9179.4-51.8167.1000110.1M15 L59 V64 H65 R66 Y72 L73 K86 L89 V90 T93M15-I69 HydrophobicContact SD-CG1 4.39Å; L59-I69 HydrophobicContact CD2-CD1 4.33Å; L59-I69 HydrophobicContact CD2-CG1 4.25Å; V64-I69 HydrophobicContact CG1-CD1 3.86Å; V64-I69 HydrophobicContact CG1-CG1 3.67Å; H65-I69 PolarHBondContact O-N 3.28Å; R66-I69 PolarHBondContact O-N 3.33Å; I69-Y72 PolarHBondContact O-N 3.5Å; I69-L73 HydrophobicContact CG2-CD1 4.35Å; I69-L73 WeakPolarHBondContact O-CG 3.37Å; I69-L73 PolarHBondContact O-N 2.91Å; I69-K86 HydrophobicContact CD1-CG 4.06Å; I69-L89 HydrophobicContact CB-CB 4.1Å; I69-L89 HydrophobicContact CB-CD1 4.43Å; I69-L89 HydrophobicContact CG2-CB 3.6Å; I69-V90 HydrophobicContact CD1-CG2 3.91Å; I69-T93 VanDerWaalsContact CG2-OG1 3.3Å; I69-T93 WeakPolarHBondContact CG2-OG1 3.03Å
70F84.9Confident81.9Confident49 Ų4964.1 Ų64.122%0.21532%0.316CS..Hα-helixtrans-61.1-50.8176-173.6-90.5000112.2R66 D67 V68 Y72 L73 A74 M80 P81 P82 L89R66-F70 WeakPolarHBondContact O-CB 3.36Å; R66-F70 PolarHBondContact O-N 3.39Å; D67-F70 PolarHBondContact O-N 3.41Å; V68-F70 VanDerWaalsContact C-N 3.34Å; F70-Y72 VanDerWaalsContact C-N 3.29Å; F70-Y72 PolarHBondContact O-N 3.33Å; F70-L73 PolarHBondContact O-N 2.9Å; F70-A74 WeakPolarHBondContact O-CB 3.23Å; F70-A74 PolarHBondContact O-N 3.34Å; F70-M80 HydrophobicContact CD2-CB 4.2Å; F70-M80 HydrophobicContact CE2-CB 3.88Å; F70-M80 VanDerWaalsContact CE2-O 3.24Å; F70-M80 WeakPolarHBondContact CE2-O 3.44Å; F70-M80 WeakPolarHBondContact CZ-O 3.41Å; F70-P81 VanDerWaalsContact CE2-O 3.32Å; F70-P81 WeakPolarHBondContact CE2-O 3.16Å; F70-P82 HydrophobicContact CZ-CB 4.27Å; F70-L89 HydrophobicContact CB-CD1 3.82Å; F70-L89 HydrophobicContact CB-CD2 4.43Å; F70-L89 HydrophobicContact CD2-CD1 4.28Å; F70-L89 HydrophobicContact CD2-CD2 3.89Å
71K82.5Confident80.8Confident108 Ų10861.7 Ų61.747%0.4731%0.312SS..Hα-helixtrans-60.9-39.4177.3-74.5165.4-177.4161.70111.4I18 D67 V68 K75I18-K71 HydrophobicContact CG2-CB 4.24Å; I18-K71 HydrophobicContact CG2-CD 4.32Å; D67-K71 VanDerWaalsContact O-CB 3.27Å; D67-K71 WeakPolarHBondContact O-CB 3.34Å; D67-K71 WeakPolarHBondContact O-CD 3.48Å; D67-K71 WeakPolarHBondContact O-CG 3.34Å; D67-K71 PolarHBondContact O-N 3.46Å; D67-K71 IonicContact OD2-NZ 2.98Å; D67-K71 PolarHBondContact OD2-NZ 2.97Å; V68-K71 PolarHBondContact O-N 3.37Å; K71-K75 VanDerWaalsContact O-CB 3.31Å; K71-K75 WeakPolarHBondContact O-CB 3.3Å; K71-K75 PolarHBondContact O-N 3.29Å
72Y90.1Very high79.8Confident3 Ų363.2 Ų63.21%0.01233%0.331CS..Hα-helixtrans-60.8-53.5175.5171-110.3000111.8G11 N14 M15 I18 V68 I69 F70 A74 K75 E76 T93 W97G11-Y72 WeakPolarHBondContact CA-OH 3.49Å; N14-Y72 HydrophobicContact CB-CD2 4.32Å; N14-Y72 HydrophobicContact CB-CE2 3.69Å; M15-Y72 HydrophobicContact CB-CD1 4.24Å; M15-Y72 HydrophobicContact CB-CD2 3.81Å; M15-Y72 HydrophobicContact CB-CE2 4.27Å; M15-Y72 HydrophobicContact CB-CG 3.82Å; M15-Y72 HydrophobicContact CG-CD1 4.38Å; M15-Y72 HydrophobicContact CG-CD2 4.46Å; M15-Y72 HydrophobicContact CG-CG 4.01Å; I18-Y72 HydrophobicContact CD1-CD2 4.23Å; V68-Y72 VanDerWaalsContact O-CB 3.31Å; V68-Y72 WeakPolarHBondContact O-CB 3.48Å; V68-Y72 PolarHBondContact O-N 2.82Å; I69-Y72 PolarHBondContact O-N 3.5Å; F70-Y72 VanDerWaalsContact C-N 3.29Å; F70-Y72 PolarHBondContact O-N 3.33Å; Y72-A74 VanDerWaalsContact C-N 3.35Å; Y72-A74 PolarHBondContact O-N 2.94Å; Y72-K75 WeakPolarHBondContact O-CB 3.31Å; Y72-K75 PolarHBondContact O-N 2.86Å; Y72-K75 VanDerWaalsContact O-N 3.14Å; Y72-E76 HydrophobicContact CD2-CG 4.05Å; Y72-E76 HydrophobicContact CE1-CG 4.39Å; Y72-E76 HydrophobicContact CE2-CG 3.46Å; Y72-E76 VanDerWaalsContact CE2-CG 3.46Å; Y72-E76 WeakPolarHBondContact CE2-OE1 3.31Å; Y72-E76 WeakPolarHBondContact O-CG 3.48Å; Y72-E76 PolarHBondContact O-N 3.47Å; Y72-T93 HydrophobicContact CD1-CG2 4.44Å; Y72-T93 HydrophobicContact CE1-CG2 4.08Å; Y72-W97 AromaticContact CE1-CE2 3.96Å; Y72-W97 AromaticContact CE1-CZ2 3.82Å; Y72-W97 HydrophobicContact CE1-CZ2 3.82Å; Y72-W97 AromaticContact CE1-NE1 3.52Å; Y72-W97 AromaticContact CZ-NE1 3.57Å; Y72-W97 PolarHBondContact OH-NE1 3.41Å
73L82.8Confident79.4Confident0 Ų059.9 Ų59.90%032%0.322CS..Hα-helixtrans-59.8-44179.2-74.8176000112I69 F70 K75 E76 G77 V78 M80 L89 R92 T93I69-L73 HydrophobicContact CG2-CD1 4.35Å; I69-L73 WeakPolarHBondContact O-CG 3.37Å; I69-L73 PolarHBondContact O-N 2.91Å; F70-L73 PolarHBondContact O-N 2.9Å; L73-K75 VanDerWaalsContact C-N 3.33Å; L73-K75 PolarHBondContact O-N 2.88Å; L73-E76 CarbonylContact O-C 3.57Å; L73-E76 PolarHBondContact O-N 3.17Å; L73-G77 PolarHBondContact O-N 3.42Å; L73-V78 CarbonylContact C-O 3.51Å; L73-V78 HydrophobicContact CB-CB 4.12Å; L73-V78 HydrophobicContact CD2-CB 3.98Å; L73-V78 HydrophobicContact CD2-CG1 4.08Å; L73-V78 HydrophobicContact CD2-CG2 4.21Å; L73-V78 WeakPolarHBondContact O-CA 3.35Å; L73-V78 WeakPolarHBondContact O-CB 3.49Å; L73-V78 PolarHBondContact O-N 3.36Å; L73-M80 HydrophobicContact CB-CG 4.29Å; L73-M80 HydrophobicContact CD1-CG 3.71Å; L73-L89 HydrophobicContact CD1-CB 4.28Å; L73-L89 HydrophobicContact CD1-CD2 3.82Å; L73-R92 HydrophobicContact CD1-CB 4.2Å; L73-R92 HydrophobicContact CD1-CG 4.44Å; L73-T93 WeakPolarHBondContact CD2-OG1 3.28Å
74A80.8Confident78.8Confident58 Ų5856.6 Ų56.648%0.47931%0.308SS..Hα-helixtrans-61.1-40175.800000112.4F70 Y72 E76 G77F70-A74 WeakPolarHBondContact O-CB 3.23Å; F70-A74 PolarHBondContact O-N 3.34Å; Y72-A74 VanDerWaalsContact C-N 3.35Å; Y72-A74 PolarHBondContact O-N 2.94Å; A74-E76 VanDerWaalsContact C-N 3.32Å; A74-E76 PolarHBondContact O-N 3.3Å; A74-G77 PolarHBondContact O-N 2.97Å; A74-G77 VanDerWaalsContact O-N 3.16Å
75K80.9Confident78.2Confident155 Ų15561.9 Ų61.967%0.67433%0.333SS*.Hα-helixtrans-66-33.5176.9-174.6-179.9178.9-177.20112.6I18 K71 Y72 L73 G77I18-K75 HydrophobicContact CD1-CD 4.39Å; K71-K75 VanDerWaalsContact O-CB 3.31Å; K71-K75 WeakPolarHBondContact O-CB 3.3Å; K71-K75 PolarHBondContact O-N 3.29Å; Y72-K75 WeakPolarHBondContact O-CB 3.31Å; Y72-K75 PolarHBondContact O-N 2.86Å; Y72-K75 VanDerWaalsContact O-N 3.14Å; L73-K75 VanDerWaalsContact C-N 3.33Å; L73-K75 PolarHBondContact O-N 2.88Å; K75-G77 PolarHBondContact O-N 3.46Å
76E80.6Confident78.4Confident62 Ų6260.4 Ų60.429%0.2933%0.326SS..THydrogen-bonded Turntrans-846.3176-61.7-70.815900112.7N14 Y72 L73 A74 V78 F96N14-E76 PolarHBondContact ND2-OE1 2.93Å; Y72-E76 HydrophobicContact CD2-CG 4.05Å; Y72-E76 HydrophobicContact CE1-CG 4.39Å; Y72-E76 HydrophobicContact CE2-CG 3.46Å; Y72-E76 VanDerWaalsContact CE2-CG 3.46Å; Y72-E76 WeakPolarHBondContact CE2-OE1 3.31Å; Y72-E76 WeakPolarHBondContact O-CG 3.48Å; Y72-E76 PolarHBondContact O-N 3.47Å; L73-E76 CarbonylContact O-C 3.57Å; L73-E76 PolarHBondContact O-N 3.17Å; A74-E76 VanDerWaalsContact C-N 3.32Å; A74-E76 PolarHBondContact O-N 3.3Å; E76-V78 VanDerWaalsContact C-N 3.31Å; E76-V78 PolarHBondContact O-N 3.38Å; E76-F96 HydrophobicContact CB-CE1 3.85Å; E76-F96 HydrophobicContact CB-CZ 3.81Å; E76-F96 HydrophobicContact CG-CE1 4.07Å; E76-F96 HydrophobicContact CG-CZ 4.41Å
77G71.4Confident78.1Confident49 Ų4960.3 Ų60.351%0.50533%0.329SS..THydrogen-bonded Turntrans78.610.5177.900000114.6L73 A74 K75 V79L73-G77 PolarHBondContact O-N 3.42Å; A74-G77 PolarHBondContact O-N 2.97Å; A74-G77 VanDerWaalsContact O-N 3.16Å; K75-G77 PolarHBondContact O-N 3.46Å; G77-V79 PolarHBondContact O-N 2.89Å
78V78.6Confident77.9Confident4 Ų461.4 Ų61.42%0.02433%0.332CS..  trans-86.8104174.6-176.60000108.6L73 E76 M80 R92 F96 A102L73-V78 CarbonylContact C-O 3.51Å; L73-V78 HydrophobicContact CB-CB 4.12Å; L73-V78 HydrophobicContact CD2-CB 3.98Å; L73-V78 HydrophobicContact CD2-CG1 4.08Å; L73-V78 HydrophobicContact CD2-CG2 4.21Å; L73-V78 WeakPolarHBondContact O-CA 3.35Å; L73-V78 WeakPolarHBondContact O-CB 3.49Å; L73-V78 PolarHBondContact O-N 3.36Å; E76-V78 VanDerWaalsContact C-N 3.31Å; E76-V78 PolarHBondContact O-N 3.38Å; V78-M80 HydrophobicContact CG1-CG 4.39Å; V78-M80 HydrophobicContact CG1-SD 4.47Å; V78-M80 PolarHBondContact O-N 2.82Å; V78-R92 HydrophobicContact CG1-CG 3.8Å; V78-F96 HydrophobicContact CG2-CD1 4.42Å; V78-F96 HydrophobicContact CG2-CD2 3.52Å; V78-F96 HydrophobicContact CG2-CE2 3.72Å; V78-F96 HydrophobicContact CG2-CG 3.91Å; V78-F96 HydrophobicContact CG2-CZ 4.26Å; V78-A102 HydrophobicContact CG2-CB 3.99Å
79V71.7Confident77.7Confident119 Ų11960.9 Ų60.972%0.72133%0.329SS*.  trans-70.5115.6179-177.40000109.3G77G77-V79 PolarHBondContact O-N 2.89Å
80M73.7Confident77.6Confident25 Ų2561 Ų6112%0.12333%0.33CS..  trans-115.6136.4171-69-59-73.900109.1F70 L73 V78 L89 R92F70-M80 HydrophobicContact CD2-CB 4.2Å; F70-M80 HydrophobicContact CE2-CB 3.88Å; F70-M80 VanDerWaalsContact CE2-O 3.24Å; F70-M80 WeakPolarHBondContact CE2-O 3.44Å; F70-M80 WeakPolarHBondContact CZ-O 3.41Å; L73-M80 HydrophobicContact CB-CG 4.29Å; L73-M80 HydrophobicContact CD1-CG 3.71Å; V78-M80 HydrophobicContact CG1-CG 4.39Å; V78-M80 HydrophobicContact CG1-SD 4.47Å; V78-M80 PolarHBondContact O-N 2.82Å; M80-L89 HydrophobicContact CB-CD2 3.8Å; M80-L89 HydrophobicContact CE-CD2 3.91Å; M80-L89 HydrophobicContact CG-CD2 3.76Å; M80-R92 HydrophobicContact CE-CB 3.89Å; M80-R92 HydrophobicContact CE-CG 4.22Å; M80-R92 HydrophobicContact SD-CB 3.92Å; M80-R92 HydrophobicContact SD-CG 3.57Å; M80-R92 VanDerWaalsContact SD-CG 3.57Å
81P62Low77.7Confident69 Ų6964.9 Ų64.945%0.44835%0.347SS..  trans-52.4137.4170-29.336.2000111.2F70 N83 S84F70-P81 VanDerWaalsContact CE2-O 3.32Å; F70-P81 WeakPolarHBondContact CE2-O 3.16Å; P81-N83 WeakPolarHBondContact CB-OD1 3.27Å; P81-N83 PolarHBondContact O-N 2.83Å; P81-S84 VanDerWaalsContact CD-OG 3.32Å; P81-S84 WeakPolarHBondContact CD-OG 3.47Å; P81-S84 WeakPolarHBondContact O-CB 3.33Å; P81-S84 PolarHBondContact O-N 2.88Å; P81-S84 PolarHBondContact O-OG 3.27Å
82P60.9Low77.8Confident101 Ų10160.7 Ų60.766%0.65633%0.328SS*.THydrogen-bonded Turntrans-60.7-22-176.223.2-33.2000113.8R66 F70 S84R66-P82 PolarHBondContact NH1-O 3.18Å; R66-P82 PolarHBondContact NH2-O 2.94Å; R66-P82 VanDerWaalsContact NH2-O 3.16Å; F70-P82 HydrophobicContact CZ-CB 4.27Å; P82-S84 VanDerWaalsContact C-N 3.34Å
83N66.4Low77.7Confident121 Ų12160.6 Ų60.665%0.64733%0.327SS*.THydrogen-bonded Turntrans-84.50.8173.965.4-8000114.2P81 E85P81-N83 WeakPolarHBondContact CB-OD1 3.27Å; P81-N83 PolarHBondContact O-N 2.83Å; N83-E85 PolarHBondContact O-N 3.18Å
84S73.3Confident78Confident2 Ų262.1 Ų62.11%0.01434%0.335CS..  trans-57.3123.2179.7-62.80000110.8R66 P81 P82R66-S84 WeakPolarHBondContact CD-O 3.41Å; R66-S84 PolarHBondContact NH1-O 3.41Å; P81-S84 VanDerWaalsContact CD-OG 3.32Å; P81-S84 WeakPolarHBondContact CD-OG 3.47Å; P81-S84 WeakPolarHBondContact O-CB 3.33Å; P81-S84 PolarHBondContact O-N 2.88Å; P81-S84 PolarHBondContact O-OG 3.27Å; P82-S84 VanDerWaalsContact C-N 3.34Å
85E72.6Confident78.2Confident111 Ų11162.6 Ų62.652%0.51933%0.328SS..  trans-72.1158.8-178.6-69.2-175.6-15700111.7N83 H87 Q88 L89N83-E85 PolarHBondContact O-N 3.18Å; E85-H87 WeakPolarHBondContact CB-ND1 3.24Å; E85-H87 PolarHBondContact O-N 2.98Å; E85-H87 VanDerWaalsContact O-N 3.14Å; E85-H87 IonicContact OE2-CE1 3.62Å; E85-H87 PolarHBondContact OE2-CE1 3.35Å; E85-H87 IonicContact OE2-ND1 2.82Å; E85-H87 PolarHBondContact OE2-ND1 2.89Å; E85-H87 VanDerWaalsContact OE2-ND1 3.15Å; E85-Q88 HydrophobicContact CB-CG 4.43Å; E85-Q88 WeakPolarHBondContact O-CB 3.33Å; E85-Q88 PolarHBondContact O-N 2.88Å; E85-L89 WeakPolarHBondContact O-CG 3.19Å; E85-L89 PolarHBondContact O-N 2.92Å
86K84.8Confident78.4Confident55 Ų5556.5 Ų56.524%0.23930%0.301CS..Hα-helixtrans-52.1-43.1-177.1-174.5176.7173.4-179.30111.6L59 K60 R61 V64 R66 I69 Q88 L89 V90L59-K86 WeakPolarHBondContact O-CE 3.3Å; L59-K86 PolarHBondContact O-NZ 3.28Å; K60-K86 PolarHBondContact O-NZ 3.35Å; R61-K86 PolarHBondContact O-NZ 2.86Å; V64-K86 WeakPolarHBondContact O-CE 3.46Å; V64-K86 PolarHBondContact O-NZ 2.91Å; R66-K86 HydrophobicContact CB-CB 4.17Å; R66-K86 HydrophobicContact CG-CB 4.15Å; I69-K86 HydrophobicContact CD1-CG 4.06Å; K86-Q88 PolarHBondContact O-N 3.12Å; K86-L89 PolarHBondContact O-N 3.1Å; K86-V90 HydrophobicContact CG-CG2 4.46Å; K86-V90 VanDerWaalsContact O-CG2 3.23Å; K86-V90 WeakPolarHBondContact O-CG2 3.38Å; K86-V90 PolarHBondContact O-N 3.46Å
87H81.8Confident78.8Confident98 Ų9853.8 Ų53.845%0.45429%0.288SS..Hα-helixtrans-66.2-36.4179.975.1-90.4000113.1E85 V90 K91E85-H87 WeakPolarHBondContact CB-ND1 3.24Å; E85-H87 PolarHBondContact O-N 2.98Å; E85-H87 VanDerWaalsContact O-N 3.14Å; E85-H87 IonicContact OE2-CE1 3.62Å; E85-H87 PolarHBondContact OE2-CE1 3.35Å; E85-H87 IonicContact OE2-ND1 2.82Å; E85-H87 PolarHBondContact OE2-ND1 2.89Å; E85-H87 VanDerWaalsContact OE2-ND1 3.15Å; H87-V90 PolarHBondContact O-N 3.15Å; H87-K91 WeakPolarHBondContact O-CB 3.37Å; H87-K91 PolarHBondContact O-N 3.4Å
88Q79.8Confident79.2Confident89 Ų8956 Ų5642%0.41630%0.296SS..Hα-helixtrans-68.3-40175.4-61.4-174.6-5400111.2E85 K86 K91 R92E85-Q88 HydrophobicContact CB-CG 4.43Å; E85-Q88 WeakPolarHBondContact O-CB 3.33Å; E85-Q88 PolarHBondContact O-N 2.88Å; K86-Q88 PolarHBondContact O-N 3.12Å; Q88-K91 PolarHBondContact O-N 2.84Å; Q88-R92 WeakPolarHBondContact O-CB 3.47Å; Q88-R92 PolarHBondContact O-N 2.95Å
89L83.3Confident78.9Confident0 Ų059.6 Ų59.60%032%0.318CS..Hα-helixtrans-63.4-45.3173.7-62.2173.3000110.6R66 I69 F70 L73 M80 E85 K86 K91 R92 T93R66-L89 HydrophobicContact CG-CD1 3.54Å; R66-L89 WeakPolarHBondContact O-CD1 3.48Å; I69-L89 HydrophobicContact CB-CB 4.1Å; I69-L89 HydrophobicContact CB-CD1 4.43Å; I69-L89 HydrophobicContact CG2-CB 3.6Å; F70-L89 HydrophobicContact CB-CD1 3.82Å; F70-L89 HydrophobicContact CB-CD2 4.43Å; F70-L89 HydrophobicContact CD2-CD1 4.28Å; F70-L89 HydrophobicContact CD2-CD2 3.89Å; L73-L89 HydrophobicContact CD1-CB 4.28Å; L73-L89 HydrophobicContact CD1-CD2 3.82Å; M80-L89 HydrophobicContact CB-CD2 3.8Å; M80-L89 HydrophobicContact CE-CD2 3.91Å; M80-L89 HydrophobicContact CG-CD2 3.76Å; E85-L89 WeakPolarHBondContact O-CG 3.19Å; E85-L89 PolarHBondContact O-N 2.92Å; K86-L89 PolarHBondContact O-N 3.1Å; L89-K91 PolarHBondContact O-N 3.46Å; L89-R92 PolarHBondContact O-N 2.9Å; L89-T93 VanDerWaalsContact O-CB 3.31Å; L89-T93 WeakPolarHBondContact O-CB 3.41Å; L89-T93 PolarHBondContact O-N 3.48Å; L89-T93 PolarHBondContact O-OG1 3.15Å
90V86.7Confident78.4Confident3 Ų356.5 Ų56.52%0.01831%0.311CS..Hα-helixtrans-56-52.4173.3173.80000110.7E56 L59 I69 K86 H87 R92 T93 L94E56-V90 HydrophobicContact CG-CG1 3.94Å; L59-V90 HydrophobicContact CB-CB 4.33Å; L59-V90 HydrophobicContact CB-CG1 3.93Å; L59-V90 HydrophobicContact CB-CG2 3.61Å; L59-V90 HydrophobicContact CD1-CG1 3.97Å; I69-V90 HydrophobicContact CD1-CG2 3.91Å; K86-V90 HydrophobicContact CG-CG2 4.46Å; K86-V90 VanDerWaalsContact O-CG2 3.23Å; K86-V90 WeakPolarHBondContact O-CG2 3.38Å; K86-V90 PolarHBondContact O-N 3.46Å; H87-V90 PolarHBondContact O-N 3.15Å; V90-R92 VanDerWaalsContact C-N 3.35Å; V90-R92 PolarHBondContact O-N 3.41Å; V90-T93 WeakPolarHBondContact O-CB 3.26Å; V90-T93 PolarHBondContact O-N 3.39Å; V90-L94 HydrophobicContact CG1-CD1 3.93Å; V90-L94 HydrophobicContact CG1-CG 4.39Å; V90-L94 WeakPolarHBondContact O-CG 3.24Å; V90-L94 PolarHBondContact O-N 2.95Å
91K86.3Confident77.5Confident131 Ų13162.4 Ų62.457%0.5734%0.335SS*.Hα-helixtrans-57.2-48-180-176.1179.8177.2-176.50111.4H87 Q88 L89 T93 L94 E95H87-K91 WeakPolarHBondContact O-CB 3.37Å; H87-K91 PolarHBondContact O-N 3.4Å; Q88-K91 PolarHBondContact O-N 2.84Å; L89-K91 PolarHBondContact O-N 3.46Å; K91-T93 VanDerWaalsContact C-N 3.34Å; K91-T93 PolarHBondContact O-N 2.65Å; K91-L94 PolarHBondContact O-N 2.98Å; K91-E95 WeakPolarHBondContact CE-OE1 3.45Å; K91-E95 WeakPolarHBondContact O-CG 3.33Å; K91-E95 PolarHBondContact O-N 2.82Å
92R85.9Confident76.8Confident20 Ų2061.6 Ų61.68%0.07534%0.335CS..Hα-helixtrans-64.6-39.1178.7-167.276.6-171.5109.93.3112L73 V78 M80 Q88 L89 V90 E95 F96 L103L73-R92 HydrophobicContact CD1-CB 4.2Å; L73-R92 HydrophobicContact CD1-CG 4.44Å; V78-R92 HydrophobicContact CG1-CG 3.8Å; M80-R92 HydrophobicContact CE-CB 3.89Å; M80-R92 HydrophobicContact CE-CG 4.22Å; M80-R92 HydrophobicContact SD-CB 3.92Å; M80-R92 HydrophobicContact SD-CG 3.57Å; M80-R92 VanDerWaalsContact SD-CG 3.57Å; Q88-R92 WeakPolarHBondContact O-CB 3.47Å; Q88-R92 PolarHBondContact O-N 2.95Å; L89-R92 PolarHBondContact O-N 2.9Å; V90-R92 VanDerWaalsContact C-N 3.35Å; V90-R92 PolarHBondContact O-N 3.41Å; R92-E95 IonicContact CZ-OE2 3.79Å; R92-E95 IonicContact NH1-OE2 2.82Å; R92-E95 PolarHBondContact NH1-OE2 2.92Å; R92-E95 PolarHBondContact O-N 2.75Å; R92-F96 VanDerWaalsContact O-CB 3.25Å; R92-F96 WeakPolarHBondContact O-CB 3.25Å; R92-F96 PolarHBondContact O-N 2.85Å; R92-L103 VanDerWaalsContact NH2-N 3.18Å; R92-L103 PolarHBondContact NH2-O 2.6Å
93T88.3Confident75.9Confident0 Ų062 Ų620%033%0.331CS..Hα-helixtrans-60.7-44.7175.2-64.70000111.4L59 I69 Y72 L73 L89 V90 K91 F96 W97L59-T93 HydrophobicContact CD1-CG2 3.83Å; L59-T93 HydrophobicContact CD2-CG2 4.44Å; I69-T93 VanDerWaalsContact CG2-OG1 3.3Å; I69-T93 WeakPolarHBondContact CG2-OG1 3.03Å; Y72-T93 HydrophobicContact CD1-CG2 4.44Å; Y72-T93 HydrophobicContact CE1-CG2 4.08Å; L73-T93 WeakPolarHBondContact CD2-OG1 3.28Å; L89-T93 VanDerWaalsContact O-CB 3.31Å; L89-T93 WeakPolarHBondContact O-CB 3.41Å; L89-T93 PolarHBondContact O-N 3.48Å; L89-T93 PolarHBondContact O-OG1 3.15Å; V90-T93 WeakPolarHBondContact O-CB 3.26Å; V90-T93 PolarHBondContact O-N 3.39Å; K91-T93 VanDerWaalsContact C-N 3.34Å; K91-T93 PolarHBondContact O-N 2.65Å; T93-F96 PolarHBondContact O-N 2.66Å; T93-W97 HydrophobicContact CG2-CD2 3.73Å; T93-W97 HydrophobicContact CG2-CE3 3.99Å; T93-W97 HydrophobicContact CG2-CG 4.48Å; T93-W97 HydrophobicContact CG2-CH2 3.59Å; T93-W97 HydrophobicContact CG2-CZ2 3.28Å; T93-W97 HydrophobicContact CG2-CZ3 3.92Å; T93-W97 VanDerWaalsContact O-CG 3.25Å; T93-W97 PolarHBondContact O-N 2.98Å
94L88.3Confident74.7Confident32 Ų3262.3 Ų62.317%0.16833%0.333CS..Hα-helixtrans-65.2-43.4176.8-65.2170.5000112T55 E56 L59 V90 K91 F96 W97 S98T55-L94 WeakPolarHBondContact OG1-CD2 3.33Å; E56-L94 HydrophobicContact CB-CD1 3.68Å; E56-L94 HydrophobicContact CB-CD2 4.43Å; E56-L94 HydrophobicContact CG-CD1 3.75Å; L59-L94 HydrophobicContact CD1-CD2 4.2Å; L59-L94 HydrophobicContact CD1-CG 4.35Å; V90-L94 HydrophobicContact CG1-CD1 3.93Å; V90-L94 HydrophobicContact CG1-CG 4.39Å; V90-L94 WeakPolarHBondContact O-CG 3.24Å; V90-L94 PolarHBondContact O-N 2.95Å; K91-L94 PolarHBondContact O-N 2.98Å; L94-F96 VanDerWaalsContact C-N 3.33Å; L94-F96 PolarHBondContact O-N 3.14Å; L94-W97 HydrophobicContact CD2-CE3 4.35Å; L94-W97 PolarHBondContact O-N 2.99Å; L94-S98 WeakPolarHBondContact O-CB 3.43Å; L94-S98 PolarHBondContact O-N 3.22Å; L94-S98 PolarHBondContact O-OG 3.23Å
95E85.3Confident72.8Confident69 Ų6972.5 Ų72.532%0.32237%0.372SS..Hα-helixtrans-59.3-44.4173.8-73.5171.5-173.300111.5K91 R92 S98 T99K91-E95 WeakPolarHBondContact CE-OE1 3.45Å; K91-E95 WeakPolarHBondContact O-CG 3.33Å; K91-E95 PolarHBondContact O-N 2.82Å; R92-E95 IonicContact CZ-OE2 3.79Å; R92-E95 IonicContact NH1-OE2 2.82Å; R92-E95 PolarHBondContact NH1-OE2 2.92Å; R92-E95 PolarHBondContact O-N 2.75Å; E95-S98 PolarHBondContact O-N 3.35Å; E95-T99 WeakPolarHBondContact O-CB 3.38Å; E95-T99 PolarHBondContact O-N 3.16Å; E95-T99 PolarHBondContact O-OG1 3.2Å
96F85.3Confident71Confident26 Ų2675.9 Ų75.911%0.11439%0.388CS..Hα-helixtrans-63-44.5178.3175.6-112.7000111.9E76 V78 R92 T93 L94 S98 G100 A102E76-F96 HydrophobicContact CB-CE1 3.85Å; E76-F96 HydrophobicContact CB-CZ 3.81Å; E76-F96 HydrophobicContact CG-CE1 4.07Å; E76-F96 HydrophobicContact CG-CZ 4.41Å; V78-F96 HydrophobicContact CG2-CD1 4.42Å; V78-F96 HydrophobicContact CG2-CD2 3.52Å; V78-F96 HydrophobicContact CG2-CE2 3.72Å; V78-F96 HydrophobicContact CG2-CG 3.91Å; V78-F96 HydrophobicContact CG2-CZ 4.26Å; R92-F96 VanDerWaalsContact O-CB 3.25Å; R92-F96 WeakPolarHBondContact O-CB 3.25Å; R92-F96 PolarHBondContact O-N 2.85Å; T93-F96 PolarHBondContact O-N 2.66Å; L94-F96 VanDerWaalsContact C-N 3.33Å; L94-F96 PolarHBondContact O-N 3.14Å; F96-S98 VanDerWaalsContact C-N 3.28Å; F96-S98 PolarHBondContact O-N 3.46Å; F96-G100 PolarHBondContact O-N 3.45Å; F96-A102 HydrophobicContact CE2-CB 4.47Å
97W87.8Confident68.4Low5 Ų579.2 Ų79.22%0.01941%0.413CS..Hα-helixtrans-67.1-28.7176.7-65.8-13.4000113.2T7 E8 G11 C12 T55 L59 Y72 T93 L94T7-W97 WeakPolarHBondContact CB-O 3.46Å; T7-W97 PolarHBondContact OG1-O 2.98Å; E8-W97 HydrophobicContact CB-CE3 4.31Å; E8-W97 HydrophobicContact CG-CB 3.79Å; E8-W97 HydrophobicContact CG-CD2 4.43Å; E8-W97 HydrophobicContact CG-CE3 4.05Å; E8-W97 HydrophobicContact CG-CG 4.39Å; G11-W97 VanDerWaalsContact C-CZ2 3.48Å; C12-W97 HydrophobicContact CB-CH2 4.46Å; C12-W97 WeakPolarHBondContact SG-CH2 3.5Å; C12-W97 VanDerWaalsContact SG-CZ3 3.56Å; T55-W97 HydrophobicContact CG2-CE3 4.07Å; T55-W97 HydrophobicContact CG2-CZ3 3.75Å; L59-W97 HydrophobicContact CD1-CH2 4.08Å; L59-W97 HydrophobicContact CD1-CZ3 3.88Å; L59-W97 HydrophobicContact CD2-CH2 4.1Å; L59-W97 HydrophobicContact CG-CH2 4.37Å; L59-W97 HydrophobicContact CG-CZ3 4.45Å; Y72-W97 AromaticContact CE1-CE2 3.96Å; Y72-W97 AromaticContact CE1-CZ2 3.82Å; Y72-W97 HydrophobicContact CE1-CZ2 3.82Å; Y72-W97 AromaticContact CE1-NE1 3.52Å; Y72-W97 AromaticContact CZ-NE1 3.57Å; Y72-W97 PolarHBondContact OH-NE1 3.41Å; T93-W97 HydrophobicContact CG2-CD2 3.73Å; T93-W97 HydrophobicContact CG2-CE3 3.99Å; T93-W97 HydrophobicContact CG2-CG 4.48Å; T93-W97 HydrophobicContact CG2-CH2 3.59Å; T93-W97 HydrophobicContact CG2-CZ2 3.28Å; T93-W97 HydrophobicContact CG2-CZ3 3.92Å; T93-W97 VanDerWaalsContact O-CG 3.25Å; T93-W97 PolarHBondContact O-N 2.98Å; L94-W97 HydrophobicContact CD2-CE3 4.35Å; L94-W97 PolarHBondContact O-N 2.99Å
98S81.1Confident66.1Low96 Ų9680.3 Ų80.367%0.67143%0.429SS*.Hα-helixtrans-81.3-35.5178.4-56.60000113.4L94 E95 F96L94-S98 WeakPolarHBondContact O-CB 3.43Å; L94-S98 PolarHBondContact O-N 3.22Å; L94-S98 PolarHBondContact O-OG 3.23Å; E95-S98 PolarHBondContact O-N 3.35Å; F96-S98 VanDerWaalsContact C-N 3.28Å; F96-S98 PolarHBondContact O-N 3.46Å
99T71.6Confident63.6Low80 Ų8080.7 Ų80.749%0.49145%0.447SS..Hα-helixtrans-100.8-17.6-173.651.90000114.2E95 K101E95-T99 WeakPolarHBondContact O-CB 3.38Å; E95-T99 PolarHBondContact O-N 3.16Å; E95-T99 PolarHBondContact O-OG1 3.2Å; T99-K101 PolarHBondContact O-N 3.47Å; T99-K101 VanDerWaalsContact O-N 3.12Å
100G60.5Low61.1Low54 Ų5487.1 Ų87.156%0.55749%0.486SS*.  trans63.813.4179.200000114.8F96F96-G100 PolarHBondContact O-N 3.45Å
101K55.1Low58.4Low148 Ų14895.9 Ų95.964%0.64353%0.527SS*.SBendtrans-133.6130.8-178.9-68.2-175.6179.3179.70111.2T99 L103T99-K101 PolarHBondContact O-N 3.47Å; T99-K101 VanDerWaalsContact O-N 3.12Å; K101-L103 PolarHBondContact O-N 3.03Å
102A48.9Very low55.6Low53 Ų5396 Ų9644%0.43854%0.539SS..  trans-69.4112.2165.200000108V78 F96V78-A102 HydrophobicContact CG2-CB 3.99Å; F96-A102 HydrophobicContact CE2-CB 4.47Å
103L41.3Very low53Low110 Ų11099.6 Ų99.658%0.57657%0.567SS**  trans-107.8125.3177.3-87.4157.9000109.5R92 K101R92-L103 VanDerWaalsContact NH2-N 3.18Å; R92-L103 PolarHBondContact NH2-O 2.6Å; K101-L103 PolarHBondContact O-N 3.03Å
104D39.9Very low50.2Low127 Ų127107.6 Ų107.668%0.67961%0.609SS**  trans-69.6135.5172-72.2-30.9000110.7Q106D104-Q106 PolarHBondContact O-N 3.48Å
105Y34.6Very low47.2Very low215 Ų215111.8 Ų111.884%0.84364%0.641SS**  trans-71.4109.3173.9-118.5-94000109.3
106Q34.6Very low44.5Very low182 Ų182115.8 Ų115.885%0.8566%0.664SS**PPolyproline II helixtrans-86.9127.4173-69.1177.325.600110.7D104D104-Q106 PolarHBondContact O-N 3.48Å
107T30.3Very low42Very low125 Ų125125.9 Ų125.977%0.76770%0.701SS**PPolyproline II helixtrans-100.2142.8170.1-44.10000108.8
108P32.7Very low39.4Very low121 Ų121131.5 Ų131.579%0.78674%0.738SS**PPolyproline II helixtrans-73.3129.9-179.6-7.824000111.5
109A28.9Very low37Very low97 Ų97131.3 Ų131.380%0.80274%0.742SS**PPolyproline II helixtrans-77.5134.6175.200000111.3
110V30.1Very low34.8Very low136 Ų136136.4 Ų136.482%0.82476%0.761SS**  trans-110.3116.1159.4177.90000106.9
111E30.6Very low33.3Very low186 Ų186139.1 Ų139.187%0.86977%0.771SS**  trans-65.1127.7172.9-63.1176.2157.600109.8
112T27.2Very low31.9Very low133 Ų133138.2 Ų138.282%0.81678%0.777SS**  trans-146.2123.5153-60.10000109.1
113S30.6Very low31Very low96 Ų96141.4 Ų141.467%0.67180%0.797SS**  trans-71.9137-173.9490000114.3
114L29.1Very low30.4Very low168 Ų168141.6 Ų141.688%0.8880%0.802SS**  trans62.4115.1140.1-57.6171000119.9
115S25.3Very low30Very low121 Ų121141.3 Ų141.385%0.84681%0.81SS**  -174.8130.399.6-169.10000112.1
116L29.9Very low30Very low152 Ų152135.9 Ų135.980%0.79680%0.803SS**  trans-79.1139.4172.1-73.3145.4000110.6
117R31.2Very low30Very low239 Ų239136.3 Ų136.390%0.90281%0.805SS**  164.2160.9129.5-93.4-179.1-172.8-154.73.4113.6
118P33Very low30.3Very low122 Ų122134.1 Ų134.179%0.79280%0.8SS**  -116.1174.2-11117.47.7000115.4
119A30.8Very low30.2Very low92 Ų92132.6 Ų132.676%0.7681%0.806SS**  trans-30.7145.8178.400000119.5
120E26.6Very low30.3Very low188 Ų188138.3 Ų138.388%0.87981%0.809SS**  -158.6122.6128.4-110.8168.7-16100114
121S28.4Very low30.7Very low110 Ų110136.4 Ų136.477%0.76980%0.802SS**  trans70.792.7148.569.70000122.6
122V27Very low31Very low129 Ų129133.7 Ų133.778%0.78280%0.8SS**  9.9119.9129-172.10000118.5V124V122-V124 HydrophobicContact CG1-CG2 3.66Å
123S28.3Very low32.1Very low121 Ų121131.3 Ų131.385%0.84680%0.802SS**  trans-131.8119.9134.948.60000109.1
124V29.9Very low33.6Very low114 Ų114131 Ų13169%0.69179%0.788SS**  trans-84127.3-177.8177.70000108.9V122V122-V124 HydrophobicContact CG1-CG2 3.66Å
125S30.8Very low36.2Very low121 Ų121127.7 Ų127.785%0.84677%0.771SS**  trans-140.1125.7155.4-71.60000108
126S34.8Very low39Very low100 Ų100124.5 Ų124.570%0.69974%0.743SS**  trans-79.5151.1-161.6-46.90000113.9
127E34Very low41.8Very low191 Ų191120 Ų12089%0.89372%0.72SS**  trans7890.9150.9-65.4-175.6-169.100120.8
128A36.3Very low44.5Very low79 Ų79110.1 Ų110.165%0.65369%0.689SS**  -164.1138.8112.500000108.5Y130A128-Y130 VanDerWaalsContact O-CD2 3.31Å; A128-Y130 WeakPolarHBondContact O-CD2 3.47Å; A128-Y130 PolarHBondContact O-N 2.85Å
129G32Very low47.2Very low89 Ų89105 Ų10592%0.91866%0.655SS**  trans-58103.8-171.500000113.5S131G129-S131 PolarHBondContact O-N 3.41Å
130Y31.4Very low50.1Low218 Ų218100.6 Ų100.686%0.85562%0.619SS**  trans-70.5116.7168.7-80.7-92.9000109.3A128 P132A128-Y130 VanDerWaalsContact O-CD2 3.31Å; A128-Y130 WeakPolarHBondContact O-CD2 3.47Å; A128-Y130 PolarHBondContact O-N 2.85Å; Y130-P132 WeakPolarHBondContact O-CD 3.43Å
131S38.2Very low53.2Low96 Ų9695.6 Ų95.667%0.67159%0.592SS**  trans-77.3114.4154.9-171.20000106.7G129 G133G129-S131 PolarHBondContact O-N 3.41Å; S131-G133 PolarHBondContact O-N 3.14Å
132P35.5Very low56.3Low129 Ų12996.7 Ų96.784%0.83859%0.585SS**THydrogen-bonded Turntrans-71.1105.4179.627.8-29.4000108.2Y130Y130-P132 WeakPolarHBondContact O-CD 3.43Å
133G50.2Low59.5Low82 Ų8291.3 Ų91.385%0.84555%0.551SS**THydrogen-bonded Turntrans146.1-13.3167.200000118.1S131S131-G133 PolarHBondContact O-N 3.14Å
134F63Low62.8Low89 Ų8985.6 Ų85.639%0.3951%0.511SS..  trans-106.4110.7178.3-164.8-95.4000111.4H136 L139 W264F134-H136 AromaticContact CD1-CD2 3.99Å; F134-H136 AromaticContact CD1-CE1 3.47Å; F134-H136 VanDerWaalsContact CD1-CE1 3.47Å; F134-H136 WeakPolarHBondContact CD1-CE1 3.44Å; F134-H136 AromaticContact CD1-CG 3.84Å; F134-H136 AromaticContact CD1-ND1 3.51Å; F134-H136 AromaticContact CD1-NE2 3.8Å; F134-H136 AromaticContact CE1-CE1 3.95Å; F134-H136 AromaticContact CE1-ND1 3.72Å; F134-H136 PolarHBondContact O-CD2 2.92Å; F134-H136 PolarHBondContact O-N 3.46Å; F134-L139 HydrophobicContact CE1-CB 4.29Å; F134-L139 HydrophobicContact CE1-CD1 3.82Å; F134-L139 HydrophobicContact CZ-CB 4.48Å; F134-L139 HydrophobicContact CZ-CD1 3.61Å; F134-W264 HydrophobicContact CE1-CZ2 4.26Å; F134-W264 AromaticContact CZ-CZ2 3.83Å; F134-W264 HydrophobicContact CZ-CZ2 3.83Å
135D83.5Confident65.9Low99 Ų9984.5 Ų84.553%0.52950%0.498SS..  trans-77.687.6177.2-172.2-8.4000110.6L137 A138 L139D135-L137 PolarHBondContact O-N 3.16Å; D135-L137 WeakPolarHBondContact OD1-CB 3.48Å; D135-L137 PolarHBondContact OD1-N 3.45Å; D135-A138 HydrophobicContact CB-CB 3.89Å; D135-A138 VanDerWaalsContact CG-CB 3.43Å; D135-A138 PolarHBondContact O-N 2.98Å; D135-A138 PolarHBondContact OD1-N 2.95Å; D135-A138 WeakPolarHBondContact OD2-CB 3.31Å; D135-L139 PolarHBondContact O-N 3.01Å; D135-L139 VanDerWaalsContact O-N 3.12Å
136H84.1Confident68.9Low54 Ų5483.2 Ų83.225%0.2548%0.475CS..Hα-helixtrans-59.3-29.8176-71-76.4000112.8F134 A140 V222 S224F134-H136 AromaticContact CD1-CD2 3.99Å; F134-H136 AromaticContact CD1-CE1 3.47Å; F134-H136 VanDerWaalsContact CD1-CE1 3.47Å; F134-H136 WeakPolarHBondContact CD1-CE1 3.44Å; F134-H136 AromaticContact CD1-CG 3.84Å; F134-H136 AromaticContact CD1-ND1 3.51Å; F134-H136 AromaticContact CD1-NE2 3.8Å; F134-H136 AromaticContact CE1-CE1 3.95Å; F134-H136 AromaticContact CE1-ND1 3.72Å; F134-H136 PolarHBondContact O-CD2 2.92Å; F134-H136 PolarHBondContact O-N 3.46Å; H136-A140 WeakPolarHBondContact O-CB 3.38Å; H136-A140 PolarHBondContact O-N 3.39Å; H136-V222 HydrophobicContact CB-CG1 4.07Å; H136-V222 HydrophobicContact CB-CG2 3.93Å; H136-S224 WeakPolarHBondContact CE1-CB 3.31Å; H136-S224 PolarHBondContact NE2-OG 3.38Å
137L87.8Confident71.9Confident58 Ų5878.4 Ų78.430%0.30444%0.441SS..Hα-helixtrans-74.1-41.1179.8-178.263.4000110.9D135 L139 A140 R141 L220 V222D135-L137 PolarHBondContact O-N 3.16Å; D135-L137 WeakPolarHBondContact OD1-CB 3.48Å; D135-L137 PolarHBondContact OD1-N 3.45Å; L137-L139 VanDerWaalsContact C-N 3.32Å; L137-L139 PolarHBondContact O-N 2.95Å; L137-A140 PolarHBondContact O-N 2.98Å; L137-R141 WeakPolarHBondContact O-CG 3.48Å; L137-R141 PolarHBondContact O-N 3.39Å; L137-L220 HydrophobicContact CD1-CD2 4.04Å; L137-V222 HydrophobicContact CB-CG1 4.3Å; L137-V222 HydrophobicContact CD1-CG1 4.39Å
138A88.9Confident74.9Confident31 Ų3169.5 Ų69.526%0.25640%0.4SS..Hα-helixtrans-59.5-43.9171.600000111.5D135 A140 R141 Q142D135-A138 HydrophobicContact CB-CB 3.89Å; D135-A138 VanDerWaalsContact CG-CB 3.43Å; D135-A138 PolarHBondContact O-N 2.98Å; D135-A138 PolarHBondContact OD1-N 2.95Å; D135-A138 WeakPolarHBondContact OD2-CB 3.31Å; A138-A140 PolarHBondContact O-N 2.96Å; A138-R141 PolarHBondContact O-N 3.31Å; A138-Q142 WeakPolarHBondContact O-CB 3.5Å; A138-Q142 WeakPolarHBondContact O-CG 3.28Å; A138-Q142 PolarHBondContact O-N 3.03Å
139L90.1Very high77.7Confident15 Ų1571.2 Ų71.28%0.07939%0.394CS..Hα-helixtrans-58.4-47.9173.9173.4144000111.9F134 D135 L137 R141 Q142 F143 V230 L254 W264F134-L139 HydrophobicContact CE1-CB 4.29Å; F134-L139 HydrophobicContact CE1-CD1 3.82Å; F134-L139 HydrophobicContact CZ-CB 4.48Å; F134-L139 HydrophobicContact CZ-CD1 3.61Å; D135-L139 PolarHBondContact O-N 3.01Å; D135-L139 VanDerWaalsContact O-N 3.12Å; L137-L139 VanDerWaalsContact C-N 3.32Å; L137-L139 PolarHBondContact O-N 2.95Å; L139-R141 VanDerWaalsContact C-N 3.31Å; L139-R141 PolarHBondContact O-N 3.47Å; L139-Q142 PolarHBondContact O-N 3.27Å; L139-F143 VanDerWaalsContact O-CB 3.3Å; L139-F143 WeakPolarHBondContact O-CB 3.17Å; L139-F143 PolarHBondContact O-N 3.41Å; L139-V230 HydrophobicContact CD2-CG1 3.98Å; L139-L254 HydrophobicContact CD2-CD1 4.11Å; L139-W264 HydrophobicContact CD1-CD2 3.86Å; L139-W264 HydrophobicContact CD1-CG 4.27Å; L139-W264 HydrophobicContact CD1-CH2 4.17Å; L139-W264 HydrophobicContact CD1-CZ2 3.43Å; L139-W264 VanDerWaalsContact CD1-CZ2 3.43Å; L139-W264 VanDerWaalsContact CD1-NE1 3.32Å
140A91.1Very high80.7Confident0 Ų067.4 Ų67.40%035%0.353CS..Hα-helixtrans-59.8-43-179.300000111.5H136 L137 A138 F143 C144 L220 V222 V232H136-A140 WeakPolarHBondContact O-CB 3.38Å; H136-A140 PolarHBondContact O-N 3.39Å; L137-A140 PolarHBondContact O-N 2.98Å; A138-A140 PolarHBondContact O-N 2.96Å; A140-F143 PolarHBondContact O-N 2.98Å; A140-C144 WeakPolarHBondContact O-CB 3.26Å; A140-C144 PolarHBondContact O-N 2.7Å; A140-C144 PolarHBondContact O-SG 2.91Å; A140-C144 VanDerWaalsContact O-SG 3.39Å; A140-L220 HydrophobicContact CB-CD1 4.36Å; A140-L220 HydrophobicContact CB-CD2 4.27Å; A140-V222 HydrophobicContact CB-CB 3.98Å; A140-V222 HydrophobicContact CB-CG2 4.08Å; A140-V232 HydrophobicContact CB-CG1 3.92Å; A140-V232 HydrophobicContact CB-CG2 3.87Å
141R92.6Very high83.8Confident83 Ų8357.1 Ų57.131%0.31331%0.312SS..Hα-helixtrans-62.7-49.4176.1-75.2179.1169.2147-8.5112.2L137 A138 L139 F143 C144 Q145 L215 L220L137-R141 WeakPolarHBondContact O-CG 3.48Å; L137-R141 PolarHBondContact O-N 3.39Å; A138-R141 PolarHBondContact O-N 3.31Å; L139-R141 VanDerWaalsContact C-N 3.31Å; L139-R141 PolarHBondContact O-N 3.47Å; R141-F143 VanDerWaalsContact C-N 3.33Å; R141-F143 PolarHBondContact O-N 2.96Å; R141-C144 PolarHBondContact O-N 3.11Å; R141-Q145 WeakPolarHBondContact O-CB 3.47Å; R141-Q145 VanDerWaalsContact O-CG 3.26Å; R141-Q145 WeakPolarHBondContact O-CG 3.48Å; R141-Q145 PolarHBondContact O-N 2.78Å; R141-L215 PolarHBondContact NE-O 3.08Å; R141-L220 HydrophobicContact CB-CD2 4.46Å; R141-L220 HydrophobicContact CG-CD2 3.45Å; R141-L220 VanDerWaalsContact CG-CD2 3.45Å
142Q92.9Very high86.6Confident133 Ų13353.5 Ų53.562%0.62129%0.286SS*.Hα-helixtrans-60.8-44178.7-73174.8-400111.4A138 L139 Q145 W146A138-Q142 WeakPolarHBondContact O-CB 3.5Å; A138-Q142 WeakPolarHBondContact O-CG 3.28Å; A138-Q142 PolarHBondContact O-N 3.03Å; L139-Q142 PolarHBondContact O-N 3.27Å; Q142-Q145 PolarHBondContact O-N 3.4Å; Q142-W146 WeakPolarHBondContact O-CB 3.16Å; Q142-W146 PolarHBondContact O-N 2.83Å
143F94.8Very high89.5Confident16 Ų1647.5 Ų47.57%0.0725%0.246CC..Hα-helixtrans-59.9-51.5176.2169.6-94.8000111.6L139 A140 R141 Q145 W146 F147 V232 F252 L254 I266L139-F143 VanDerWaalsContact O-CB 3.3Å; L139-F143 WeakPolarHBondContact O-CB 3.17Å; L139-F143 PolarHBondContact O-N 3.41Å; A140-F143 PolarHBondContact O-N 2.98Å; R141-F143 VanDerWaalsContact C-N 3.33Å; R141-F143 PolarHBondContact O-N 2.96Å; F143-Q145 PolarHBondContact O-N 2.82Å; F143-W146 AromaticContact CD2-CE3 3.97Å; F143-W146 HydrophobicContact CD2-CE3 3.97Å; F143-W146 AromaticContact CD2-CZ3 3.96Å; F143-W146 HydrophobicContact CD2-CZ3 3.96Å; F143-W146 HydrophobicContact CE2-CE3 4.09Å; F143-W146 AromaticContact CE2-CZ3 3.67Å; F143-W146 HydrophobicContact CE2-CZ3 3.67Å; F143-W146 PolarHBondContact O-N 3.27Å; F143-F147 HydrophobicContact CE1-CB 4.38Å; F143-F147 HydrophobicContact CZ-CB 4.2Å; F143-F147 HydrophobicContact CZ-CD2 4.24Å; F143-F147 HydrophobicContact CZ-CG 4.31Å; F143-F147 VanDerWaalsContact O-CB 3.3Å; F143-F147 WeakPolarHBondContact O-CB 3.28Å; F143-F147 PolarHBondContact O-N 2.84Å; F143-V232 HydrophobicContact CD1-CB 4.45Å; F143-V232 HydrophobicContact CD1-CG1 4.27Å; F143-V232 HydrophobicContact CD1-CG2 4.46Å; F143-F252 HydrophobicContact CE1-CB 4.01Å; F143-F252 AromaticContact CE1-CD1 3.91Å; F143-F252 HydrophobicContact CE1-CD1 3.91Å; F143-F252 AromaticContact CE1-CD2 3.67Å; F143-F252 HydrophobicContact CE1-CD2 3.67Å; F143-F252 HydrophobicContact CE1-CE1 4.24Å; F143-F252 HydrophobicContact CE1-CE2 4.01Å; F143-F252 AromaticContact CE1-CG 3.59Å; F143-F252 HydrophobicContact CE1-CG 3.59Å; F143-F252 HydrophobicContact CE1-CZ 4.26Å; F143-F252 HydrophobicContact CZ-CB 4.19Å; F143-F252 AromaticContact CZ-CD1 3.71Å; F143-F252 HydrophobicContact CZ-CD1 3.71Å; F143-F252 HydrophobicContact CZ-CD2 4.33Å; F143-F252 HydrophobicContact CZ-CE1 4.08Å; F143-F252 AromaticContact CZ-CG 3.83Å; F143-F252 HydrophobicContact CZ-CG 3.83Å; F143-L254 HydrophobicContact CB-CD1 4.18Å; F143-L254 HydrophobicContact CD1-CD1 3.94Å; F143-L254 HydrophobicContact CD2-CD1 3.69Å; F143-L254 HydrophobicContact CD2-CD2 3.93Å; F143-L254 HydrophobicContact CD2-CG 4.49Å; F143-L254 HydrophobicContact CE1-CD1 4.31Å; F143-L254 HydrophobicContact CE1-CD2 4.17Å; F143-L254 HydrophobicContact CE2-CD1 4.05Å; F143-L254 HydrophobicContact CE2-CD2 3.41Å; F143-L254 VanDerWaalsContact CE2-CD2 3.41Å; F143-L254 HydrophobicContact CE2-CG 4.38Å; F143-L254 HydrophobicContact CG-CD1 3.63Å; F143-L254 HydrophobicContact CG-CD2 4.49Å; F143-L254 HydrophobicContact CZ-CD1 4.37Å; F143-L254 HydrophobicContact CZ-CD2 3.57Å; F143-I266 HydrophobicContact CE2-CD1 4.12Å; F143-I266 HydrophobicContact CE2-CG1 3.95Å; F143-I266 HydrophobicContact CZ-CD1 4.06Å; F143-I266 HydrophobicContact CZ-CG1 4.06Å
144C96.6Very high91.6Very high0 Ų044.8 Ų44.80%021%0.212CC..Hα-helixtrans-62.9-44.2-179.9-72.20000111.6A140 R141 W146 F147 F148 L215 V232A140-C144 WeakPolarHBondContact O-CB 3.26Å; A140-C144 PolarHBondContact O-N 2.7Å; A140-C144 PolarHBondContact O-SG 2.91Å; A140-C144 VanDerWaalsContact O-SG 3.39Å; R141-C144 PolarHBondContact O-N 3.11Å; C144-W146 PolarHBondContact O-N 2.84Å; C144-F147 PolarHBondContact O-N 2.73Å; C144-F148 HydrophobicContact CB-CD2 4.12Å; C144-F148 HydrophobicContact CB-CE2 4.14Å; C144-F148 WeakPolarHBondContact O-CD2 3.49Å; C144-F148 PolarHBondContact O-N 2.92Å; C144-L215 HydrophobicContact CB-CD2 3.46Å; C144-L215 VanDerWaalsContact CB-CD2 3.46Å; C144-V232 VanDerWaalsContact SG-CG1 3.56Å
145Q94.9Very high93.2Very high92 Ų9240.6 Ų40.643%0.4319%0.194SC..Hα-helixtrans-55.8-51.2175.6-75173.7-1200111.2R141 Q142 F143 Q149 L215R141-Q145 WeakPolarHBondContact O-CB 3.47Å; R141-Q145 VanDerWaalsContact O-CG 3.26Å; R141-Q145 WeakPolarHBondContact O-CG 3.48Å; R141-Q145 PolarHBondContact O-N 2.78Å; Q142-Q145 PolarHBondContact O-N 3.4Å; F143-Q145 PolarHBondContact O-N 2.82Å; Q145-Q149 WeakPolarHBondContact O-CB 3.44Å; Q145-Q149 WeakPolarHBondContact O-CG 3.27Å; Q145-Q149 PolarHBondContact O-N 3.02Å; Q145-Q149 VanDerWaalsContact O-N 3.11Å; Q145-L215 HydrophobicContact CG-CD1 3.47Å; Q145-L215 VanDerWaalsContact CG-CD1 3.47Å
146W94.9Very high93.6Very high93 Ų9339.5 Ų39.535%0.35219%0.192SC..Hα-helixtrans-59.9-52.2177.6163.879.1000112Q142 F143 C144 Q149 L150 H169Q142-W146 WeakPolarHBondContact O-CB 3.16Å; Q142-W146 PolarHBondContact O-N 2.83Å; F143-W146 AromaticContact CD2-CE3 3.97Å; F143-W146 HydrophobicContact CD2-CE3 3.97Å; F143-W146 AromaticContact CD2-CZ3 3.96Å; F143-W146 HydrophobicContact CD2-CZ3 3.96Å; F143-W146 HydrophobicContact CE2-CE3 4.09Å; F143-W146 AromaticContact CE2-CZ3 3.67Å; F143-W146 HydrophobicContact CE2-CZ3 3.67Å; F143-W146 PolarHBondContact O-N 3.27Å; C144-W146 PolarHBondContact O-N 2.84Å; W146-Q149 PolarHBondContact O-N 2.82Å; W146-L150 HydrophobicContact CZ2-CD2 3.78Å; W146-L150 WeakPolarHBondContact O-CB 3.46Å; W146-L150 PolarHBondContact O-N 2.99Å; W146-H169 HydrophobicContact CH2-CB 4.08Å; W146-H169 AromaticContact CZ2-CG 4Å; W146-H169 AromaticContact CZ2-ND1 3.67Å
147F96.9Very high93.9Very high0 Ų038.7 Ų38.70%019%0.192CC..Hα-helixtrans-62.1-51.2-173.4179-91.4000111.9F143 C144 L150 L151 W165 L200 F252 I266F143-F147 HydrophobicContact CE1-CB 4.38Å; F143-F147 HydrophobicContact CZ-CB 4.2Å; F143-F147 HydrophobicContact CZ-CD2 4.24Å; F143-F147 HydrophobicContact CZ-CG 4.31Å; F143-F147 VanDerWaalsContact O-CB 3.3Å; F143-F147 WeakPolarHBondContact O-CB 3.28Å; F143-F147 PolarHBondContact O-N 2.84Å; C144-F147 PolarHBondContact O-N 2.73Å; F147-L150 PolarHBondContact O-N 2.85Å; F147-L151 HydrophobicContact CE1-CD2 3.85Å; F147-L151 HydrophobicContact CZ-CD2 4.19Å; F147-L151 VanDerWaalsContact O-CB 3.3Å; F147-L151 WeakPolarHBondContact O-CB 3.21Å; F147-L151 PolarHBondContact O-N 3.06Å; F147-W165 HydrophobicContact CD2-CZ3 4.41Å; F147-W165 AromaticContact CE2-CH2 3.7Å; F147-W165 HydrophobicContact CE2-CH2 3.7Å; F147-W165 HydrophobicContact CE2-CZ3 4.03Å; F147-W165 HydrophobicContact CZ-CH2 4.01Å; F147-L200 HydrophobicContact CZ-CD1 4.18Å; F147-F252 HydrophobicContact CD1-CE1 4.15Å; F147-F252 AromaticContact CD1-CZ 3.73Å; F147-F252 HydrophobicContact CD1-CZ 3.73Å; F147-F252 HydrophobicContact CD2-CE1 4.26Å; F147-F252 AromaticContact CE1-CE1 3.81Å; F147-F252 HydrophobicContact CE1-CE1 3.81Å; F147-F252 AromaticContact CE1-CZ 3.55Å; F147-F252 HydrophobicContact CE1-CZ 3.55Å; F147-F252 AromaticContact CE2-CE1 3.91Å; F147-F252 HydrophobicContact CE2-CE1 3.91Å; F147-F252 HydrophobicContact CE2-CZ 4.45Å; F147-F252 HydrophobicContact CG-CE1 4.37Å; F147-F252 HydrophobicContact CG-CZ 4.29Å; F147-F252 AromaticContact CZ-CE1 3.68Å; F147-F252 HydrophobicContact CZ-CE1 3.68Å; F147-F252 AromaticContact CZ-CZ 3.94Å; F147-F252 HydrophobicContact CZ-CZ 3.94Å; F147-I266 HydrophobicContact CD2-CD1 3.89Å; F147-I266 HydrophobicContact CE2-CD1 3.79Å
148F96.6Very high93.9Very high4 Ų439.3 Ų39.32%0.01820%0.196CC..Hα-helixtrans-72.8-34.1-177.1-68.2-70.5000112.1C144 L150 N152 L211 P213 V234 Y248 Q250 F252C144-F148 HydrophobicContact CB-CD2 4.12Å; C144-F148 HydrophobicContact CB-CE2 4.14Å; C144-F148 WeakPolarHBondContact O-CD2 3.49Å; C144-F148 PolarHBondContact O-N 2.92Å; F148-L150 VanDerWaalsContact C-N 3.33Å; F148-N152 WeakPolarHBondContact O-CB 3.5Å; F148-N152 PolarHBondContact O-N 3.21Å; F148-N152 PolarHBondContact O-ND2 3.46Å; F148-L211 HydrophobicContact CD1-CB 3.71Å; F148-L211 HydrophobicContact CD1-CD2 4.44Å; F148-L211 HydrophobicContact CE1-CB 3.92Å; F148-L211 HydrophobicContact CE1-CD2 3.92Å; F148-P213 HydrophobicContact CB-CG 4.09Å; F148-P213 HydrophobicContact CD2-CB 3.65Å; F148-P213 HydrophobicContact CD2-CG 3.52Å; F148-P213 HydrophobicContact CE2-CB 3.75Å; F148-P213 HydrophobicContact CE2-CG 4.17Å; F148-P213 HydrophobicContact CG-CB 4.31Å; F148-P213 HydrophobicContact CG-CG 3.9Å; F148-P213 HydrophobicContact CZ-CB 4.46Å; F148-V234 HydrophobicContact CE2-CG1 3.78Å; F148-V234 HydrophobicContact CE2-CG2 4.41Å; F148-V234 HydrophobicContact CZ-CG1 3.78Å; F148-Y248 AromaticContact CE1-CE2 3.95Å; F148-Y248 HydrophobicContact CE1-CE2 3.95Å; F148-Y248 AromaticContact CE1-CZ 3.84Å; F148-Y248 WeakPolarHBondContact CE1-OH 3.39Å; F148-Y248 AromaticContact CZ-CE2 3.85Å; F148-Y248 HydrophobicContact CZ-CE2 3.85Å; F148-Y248 AromaticContact CZ-CZ 3.96Å; F148-Y248 VanDerWaalsContact CZ-OH 3.23Å; F148-Y248 WeakPolarHBondContact CZ-OH 3.38Å; F148-Q250 VanDerWaalsContact CE1-OE1 3.27Å; F148-Q250 VanDerWaalsContact CZ-OE1 3.25Å; F148-F252 HydrophobicContact CZ-CE2 4.2Å; F148-F252 HydrophobicContact CZ-CZ 4.23Å
149Q94.8Very high93.7Very high114 Ų11449.2 Ų49.253%0.53323%0.226SC..Hα-helixtrans-63.7-41.4171.3-73.6174.27.500111.7Q145 W146 S153Q145-Q149 WeakPolarHBondContact O-CB 3.44Å; Q145-Q149 WeakPolarHBondContact O-CG 3.27Å; Q145-Q149 PolarHBondContact O-N 3.02Å; Q145-Q149 VanDerWaalsContact O-N 3.11Å; W146-Q149 PolarHBondContact O-N 2.82Å; Q149-S153 WeakPolarHBondContact O-CB 3.41Å; Q149-S153 PolarHBondContact O-N 2.65Å; Q149-S153 VanDerWaalsContact O-N 3.1Å
150L96Very high93.5Very high10 Ų1052.6 Ų52.65%0.05224%0.241CC..Hα-helixtrans-66.8-48.9178.8179.658.5000111.2W146 F147 F148 S153 K163 D164 W165W146-L150 HydrophobicContact CZ2-CD2 3.78Å; W146-L150 WeakPolarHBondContact O-CB 3.46Å; W146-L150 PolarHBondContact O-N 2.99Å; F147-L150 PolarHBondContact O-N 2.85Å; F148-L150 VanDerWaalsContact C-N 3.33Å; L150-S153 PolarHBondContact O-N 2.81Å; L150-S153 PolarHBondContact O-OG 3.4Å; L150-K163 HydrophobicContact CD1-CB 3.39Å; L150-K163 HydrophobicContact CD1-CD 4.29Å; L150-K163 HydrophobicContact CD1-CG 4.49Å; L150-D164 WeakPolarHBondContact CD1-O 3.44Å; L150-W165 HydrophobicContact CD2-CE3 3.85Å; L150-W165 HydrophobicContact CD2-CZ3 4.28Å; L150-W165 HydrophobicContact CG-CE3 3.83Å; L150-W165 HydrophobicContact CG-CZ3 4.38Å
151L96.8Very high93.3Very high1 Ų157.7 Ų57.71%0.00528%0.275CS..Hα-helixtrans-63.5-49.3179-178.761.7000111.6F147 S153 Q154 W165 L200 A204 L211F147-L151 HydrophobicContact CE1-CD2 3.85Å; F147-L151 HydrophobicContact CZ-CD2 4.19Å; F147-L151 VanDerWaalsContact O-CB 3.3Å; F147-L151 WeakPolarHBondContact O-CB 3.21Å; F147-L151 PolarHBondContact O-N 3.06Å; L151-S153 PolarHBondContact O-N 3.21Å; L151-Q154 VanDerWaalsContact O-CB 3.3Å; L151-Q154 WeakPolarHBondContact O-CB 3.33Å; L151-Q154 WeakPolarHBondContact O-CG 3.44Å; L151-Q154 PolarHBondContact O-N 2.86Å; L151-W165 HydrophobicContact CB-CZ3 4.24Å; L151-W165 HydrophobicContact CD1-CH2 3.96Å; L151-W165 HydrophobicContact CD1-CZ2 4.13Å; L151-W165 HydrophobicContact CD1-CZ3 4.26Å; L151-L200 HydrophobicContact CD1-CB 4.38Å; L151-L200 WeakPolarHBondContact CD1-O 3.47Å; L151-A204 HydrophobicContact CD1-CB 3.76Å; L151-A204 HydrophobicContact CG-CB 3.96Å; L151-A204 WeakPolarHBondContact O-CB 3.3Å; L151-L211 HydrophobicContact CD2-CD1 4.32Å
152N96.3Very high93.2Very high21 Ų2158 Ų5811%0.11229%0.288CS..Hα-helixtrans-64.8-26.1179.6-69.7-19000112F148 Q154 N155 L158 L210 L211F148-N152 WeakPolarHBondContact O-CB 3.5Å; F148-N152 PolarHBondContact O-N 3.21Å; F148-N152 PolarHBondContact O-ND2 3.46Å; N152-Q154 PolarHBondContact O-N 2.98Å; N152-Q154 VanDerWaalsContact O-N 3.1Å; N152-N155 VanDerWaalsContact O-CB 3.25Å; N152-N155 WeakPolarHBondContact O-CB 3.5Å; N152-N155 PolarHBondContact O-N 3.48Å; N152-L158 HydrophobicContact CB-CD1 4.02Å; N152-L158 WeakPolarHBondContact O-CD1 3.16Å; N152-L210 HydrophobicContact CB-CD2 3.99Å; N152-L211 PolarHBondContact ND2-O 2.83Å; N152-L211 PolarHBondContact OD1-N 3.05Å
153S96Very high93.2Very high2 Ų256.8 Ų56.81%0.01428%0.28CS..THydrogen-bonded Turntrans-61.4-17.6174.377.20000114.4Q149 L150 L151 N155 P162 K163Q149-S153 WeakPolarHBondContact O-CB 3.41Å; Q149-S153 PolarHBondContact O-N 2.65Å; Q149-S153 VanDerWaalsContact O-N 3.1Å; L150-S153 PolarHBondContact O-N 2.81Å; L150-S153 PolarHBondContact O-OG 3.4Å; L151-S153 PolarHBondContact O-N 3.21Å; S153-N155 VanDerWaalsContact C-N 3.28Å; S153-P162 WeakPolarHBondContact O-CA 3.32Å; S153-K163 WeakPolarHBondContact OG-CB 3.24Å; S153-K163 PolarHBondContact OG-N 3.22Å
154Q95.6Very high93.1Very high25 Ų2561.7 Ų61.712%0.11731%0.307CS..THydrogen-bonded Turntrans-79.5-12174.5-49.3-56-4700112.8L151 N152 P156 K163 W165 L201 A204 R205L151-Q154 VanDerWaalsContact O-CB 3.3Å; L151-Q154 WeakPolarHBondContact O-CB 3.33Å; L151-Q154 WeakPolarHBondContact O-CG 3.44Å; L151-Q154 PolarHBondContact O-N 2.86Å; N152-Q154 PolarHBondContact O-N 2.98Å; N152-Q154 VanDerWaalsContact O-N 3.1Å; Q154-P156 WeakPolarHBondContact O-CD 3.4Å; Q154-K163 PolarHBondContact NE2-O 3.38Å; Q154-W165 HydrophobicContact CG-CB 4.36Å; Q154-L201 HydrophobicContact CB-CD1 3.6Å; Q154-L201 HydrophobicContact CG-CD1 3.54Å; Q154-A204 HydrophobicContact CB-CB 4.28Å; Q154-R205 HydrophobicContact CB-CB 4.48Å; Q154-R205 WeakPolarHBondContact O-CG 3.3Å
155N95.4Very high93Very high2 Ų263 Ų631%0.01131%0.312CS..  trans-80.2119.8-177.7-169.8-42.7000110.8N152 S153 S157 L158 A204 R208 L209 L210N152-N155 VanDerWaalsContact O-CB 3.25Å; N152-N155 WeakPolarHBondContact O-CB 3.5Å; N152-N155 PolarHBondContact O-N 3.48Å; S153-N155 VanDerWaalsContact C-N 3.28Å; N155-S157 PolarHBondContact O-N 3.12Å; N155-S157 VanDerWaalsContact O-N 3.13Å; N155-S157 WeakPolarHBondContact OD1-CB 3.33Å; N155-S157 PolarHBondContact OD1-N 3.46Å; N155-S157 PolarHBondContact OD1-OG 3.07Å; N155-L158 PolarHBondContact O-N 3.24Å; N155-A204 WeakPolarHBondContact CA-O 3.37Å; N155-A204 WeakPolarHBondContact CB-O 3.17Å; N155-A204 VanDerWaalsContact CG-O 3.28Å; N155-A204 PolarHBondContact ND2-O 2.87Å; N155-R208 PolarHBondContact ND2-O 2.78Å; N155-R208 VanDerWaalsContact ND2-O 3.1Å; N155-L209 VanDerWaalsContact ND2-C 3.35Å; N155-L209 PolarHBondContact ND2-O 2.87Å; N155-L210 HydrophobicContact CB-CD2 3.7Å; N155-L210 WeakPolarHBondContact ND2-CD2 3.38Å; N155-L210 WeakPolarHBondContact ND2-CG 3.46Å
156P92.6Very high92.9Very high75 Ų7558.9 Ų58.949%0.48729%0.294SS..G310 helixtrans-58.7-26.5-178.9-24.834.4000114.5Q154 L158 R159Q154-P156 WeakPolarHBondContact O-CD 3.4Å; P156-L158 PolarHBondContact O-N 2.88Å; P156-R159 PolarHBondContact O-N 2.96Å
157S90.3Very high92.8Very high37 Ų3756.6 Ų56.626%0.25929%0.292SS..G310 helixtrans-64.7-24.2-178.7-64.30000112.8N155 R159 D241N155-S157 PolarHBondContact O-N 3.12Å; N155-S157 VanDerWaalsContact O-N 3.13Å; N155-S157 WeakPolarHBondContact OD1-CB 3.33Å; N155-S157 PolarHBondContact OD1-N 3.46Å; N155-S157 PolarHBondContact OD1-OG 3.07Å; S157-R159 VanDerWaalsContact C-N 3.3Å; S157-R159 PolarHBondContact O-N 3.41Å; S157-D241 WeakPolarHBondContact CB-OD1 3.32Å; S157-D241 PolarHBondContact OG-OD1 3.1Å
158L87.1Confident92.5Very high72 Ų7260.3 Ų60.338%0.37731%0.309SS..G310 helixtrans-79.2-7.3179-67-176.2000114.4N152 N155 P156 Q160 L210N152-L158 HydrophobicContact CB-CD1 4.02Å; N152-L158 WeakPolarHBondContact O-CD1 3.16Å; N155-L158 PolarHBondContact O-N 3.24Å; P156-L158 PolarHBondContact O-N 2.88Å; L158-Q160 HydrophobicContact CB-CG 3.94Å; L158-Q160 VanDerWaalsContact CD1-NE2 3.25Å; L158-Q160 PolarHBondContact O-N 3.2Å; L158-L210 HydrophobicContact CD1-CD2 3.75Å; L158-L210 HydrophobicContact CD2-CD1 4.09Å; L158-L210 HydrophobicContact CD2-CD2 4.19Å; L158-L210 HydrophobicContact CG-CD2 3.84Å
159R85Confident92.3Very high239 Ų23961.7 Ų61.790%0.90232%0.316SS*.  trans4931178.1-54.7-175.7-173.5173.43.1114.6P156 S157P156-R159 PolarHBondContact O-N 2.96Å; S157-R159 VanDerWaalsContact C-N 3.3Å; S157-R159 PolarHBondContact O-N 3.41Å
160Q86.6Confident92.2Very high85 Ų8556.5 Ų56.540%0.39729%0.291SS..SBendtrans-111.9152176.162.4-177.1-12.900109.7L158L158-Q160 HydrophobicContact CB-CG 3.94Å; L158-Q160 VanDerWaalsContact CD1-NE2 3.25Å; L158-Q160 PolarHBondContact O-N 3.2Å
161P87.2Confident92Very high108 Ų10858.9 Ų58.970%0.70130%0.3SS*.PPolyproline II helixtrans-62.7135.9174.226-33.2000110K163P161-K163 PolarHBondContact O-N 3.45Å
162P89.4Confident91.6Very high90 Ų9065.6 Ų65.658%0.58433%0.331SS*.PPolyproline II helixtrans-64.6136.1177.826.5-32.9000110S153S153-P162 WeakPolarHBondContact O-CA 3.32Å
163K92.4Very high91.1Very high107 Ų10768.9 Ų68.947%0.46535%0.348SS..PPolyproline II helixtrans-81.2169.2173.1-66.4177.6-179.6179.90110.6L150 S153 Q154 P161 W165L150-K163 HydrophobicContact CD1-CB 3.39Å; L150-K163 HydrophobicContact CD1-CD 4.29Å; L150-K163 HydrophobicContact CD1-CG 4.49Å; S153-K163 WeakPolarHBondContact OG-CB 3.24Å; S153-K163 PolarHBondContact OG-N 3.22Å; Q154-K163 PolarHBondContact NE2-O 3.38Å; P161-K163 PolarHBondContact O-N 3.45Å; K163-W165 PolarHBondContact O-N 3.21Å; K163-W165 VanDerWaalsContact O-N 3.1Å
164D92.7Very high91Very high118 Ų11868.8 Ų68.863%0.63135%0.348SS*.  trans-67.3105.2-178.4-179.435000112.9L150 Q168 H169L150-D164 WeakPolarHBondContact CD1-O 3.44Å; D164-Q168 PolarHBondContact OD1-NE2 3.42Å; D164-Q168 PolarHBondContact OD2-NE2 2.83Å; D164-Q168 VanDerWaalsContact OD2-NE2 3.07Å; D164-H169 PolarHBondContact O-NE2 3.24Å
165W94.4Very high90.9Very high27 Ų2774 Ų7410%0.10237%0.366CS..  trans-116.7134.9177.7176.7-91.1000110.5F147 L150 L151 Q154 K163 F170 S197 L200F147-W165 HydrophobicContact CD2-CZ3 4.41Å; F147-W165 AromaticContact CE2-CH2 3.7Å; F147-W165 HydrophobicContact CE2-CH2 3.7Å; F147-W165 HydrophobicContact CE2-CZ3 4.03Å; F147-W165 HydrophobicContact CZ-CH2 4.01Å; L150-W165 HydrophobicContact CD2-CE3 3.85Å; L150-W165 HydrophobicContact CD2-CZ3 4.28Å; L150-W165 HydrophobicContact CG-CE3 3.83Å; L150-W165 HydrophobicContact CG-CZ3 4.38Å; L151-W165 HydrophobicContact CB-CZ3 4.24Å; L151-W165 HydrophobicContact CD1-CH2 3.96Å; L151-W165 HydrophobicContact CD1-CZ2 4.13Å; L151-W165 HydrophobicContact CD1-CZ3 4.26Å; Q154-W165 HydrophobicContact CG-CB 4.36Å; K163-W165 PolarHBondContact O-N 3.21Å; K163-W165 VanDerWaalsContact O-N 3.1Å; W165-F170 HydrophobicContact CH2-CE2 4.37Å; W165-F170 AromaticContact CH2-CZ 3.86Å; W165-F170 HydrophobicContact CH2-CZ 3.86Å; W165-F170 HydrophobicContact CZ2-CE2 4.1Å; W165-F170 AromaticContact CZ2-CZ 3.82Å; W165-F170 HydrophobicContact CZ2-CZ 3.82Å; W165-S197 PolarHBondContact NE1-O 3.37Å; W165-S197 PolarHBondContact NE1-OG 3.23Å; W165-L200 HydrophobicContact CH2-CB 4.28Å; W165-L200 HydrophobicContact CH2-CD1 4.21Å; W165-L200 HydrophobicContact CZ2-CB 3.7Å; W165-L200 HydrophobicContact CZ2-CD1 4.11Å
166G93.1Very high90.9Very high6 Ų673.9 Ų73.96%0.06237%0.366CS..SBendtrans-178-171.4175.400000114.1Q168 H169 S197G166-Q168 PolarHBondContact O-N 3.36Å; G166-Q168 PolarHBondContact O-OE1 3.49Å; G166-H169 PolarHBondContact O-CD2 2.74Å; G166-S197 WeakPolarHBondContact CA-OG 3.48Å; G166-S197 PolarHBondContact O-OG 3.25Å
167P93.1Very high91Very high45 Ų4573.9 Ų73.929%0.29236%0.356SS..G310 helixtrans-66.8-19.4-17726.3-33.9000113.8H169 F170 S193 E194P167-H169 PolarHBondContact O-N 3.01Å; P167-F170 PolarHBondContact O-N 3.08Å; P167-S193 WeakPolarHBondContact CB-OG 3.36Å; P167-E194 HydrophobicContact CB-CG 4.46Å
168Q91.3Very high91Very high79 Ų7972.4 Ų72.437%0.36935%0.345SS..G310 helixtrans-57.4-24.6-177.267.9-84.124.500114.3D164 G166 F170 K265D164-Q168 PolarHBondContact OD1-NE2 3.42Å; D164-Q168 PolarHBondContact OD2-NE2 2.83Å; D164-Q168 VanDerWaalsContact OD2-NE2 3.07Å; G166-Q168 PolarHBondContact O-N 3.36Å; G166-Q168 PolarHBondContact O-OE1 3.49Å; Q168-F170 VanDerWaalsContact C-N 3.28Å; Q168-F170 PolarHBondContact O-N 3Å; Q168-K265 VanDerWaalsContact O-CE 3.26Å; Q168-K265 WeakPolarHBondContact O-CE 3.33Å; Q168-K265 PolarHBondContact O-NZ 3.36Å
169H92Very high91.1Very high33 Ų3371.9 Ų71.915%0.15334%0.34CS..G310 helixtrans-77.6-11.7179.8-57.5-43.8000113.5W146 D164 G166 P167 I266W146-H169 HydrophobicContact CH2-CB 4.08Å; W146-H169 AromaticContact CZ2-CG 4Å; W146-H169 AromaticContact CZ2-ND1 3.67Å; D164-H169 PolarHBondContact O-NE2 3.24Å; G166-H169 PolarHBondContact O-CD2 2.74Å; P167-H169 PolarHBondContact O-N 3.01Å; H169-I266 PolarHBondContact O-N 2.77Å; H169-I266 VanDerWaalsContact O-N 3.08Å
170F93.1Very high91Very high4 Ų462 Ų622%0.01831%0.307CS..EExtended strand (participates in β ladder)trans-114.6158.3-174.4-53.2-90.1000111.2W165 P167 Q168 V174 T196 L200 I266W165-F170 HydrophobicContact CH2-CE2 4.37Å; W165-F170 AromaticContact CH2-CZ 3.86Å; W165-F170 HydrophobicContact CH2-CZ 3.86Å; W165-F170 HydrophobicContact CZ2-CE2 4.1Å; W165-F170 AromaticContact CZ2-CZ 3.82Å; W165-F170 HydrophobicContact CZ2-CZ 3.82Å; P167-F170 PolarHBondContact O-N 3.08Å; Q168-F170 VanDerWaalsContact C-N 3.28Å; Q168-F170 PolarHBondContact O-N 3Å; F170-V174 HydrophobicContact CB-CB 4.12Å; F170-V174 HydrophobicContact CB-CG1 3.79Å; F170-V174 HydrophobicContact CB-CG2 4.4Å; F170-V174 HydrophobicContact CD1-CG1 4.43Å; F170-V174 HydrophobicContact CD1-CG2 4.04Å; F170-V174 HydrophobicContact CG-CG1 4.35Å; F170-T196 HydrophobicContact CD1-CG2 3.86Å; F170-T196 HydrophobicContact CE1-CG2 3.73Å; F170-T196 HydrophobicContact CZ-CG2 4.29Å; F170-L200 HydrophobicContact CE1-CD1 3.85Å; F170-L200 HydrophobicContact CZ-CD1 3.71Å; F170-I266 HydrophobicContact CD1-CB 3.64Å; F170-I266 HydrophobicContact CD1-CD1 3.94Å; F170-I266 HydrophobicContact CD1-CG1 4.36Å; F170-I266 HydrophobicContact CD1-CG2 3.83Å; F170-I266 HydrophobicContact CE1-CB 4.14Å; F170-I266 HydrophobicContact CE1-CD1 3.61Å; F170-I266 HydrophobicContact CE1-CG1 4.48Å; F170-I266 HydrophobicContact CE1-CG2 4.13Å; F170-I266 HydrophobicContact CG-CB 4.46Å; F170-I266 HydrophobicContact CZ-CD1 4.23Å
171W91.3Very high90.5Very high61 Ų6160 Ų6023%0.23130%0.303CS..EExtended strand (participates in β ladder)trans-73.3149.6163.4-77.4101.3000110.4D173 V174 I255 K265 I266 K267W171-D173 PolarHBondContact O-N 3.45Å; W171-D173 VanDerWaalsContact O-N 3.15Å; W171-V174 VanDerWaalsContact O-CB 3.24Å; W171-V174 WeakPolarHBondContact O-CB 3.48Å; W171-V174 VanDerWaalsContact O-CG1 3.26Å; W171-V174 WeakPolarHBondContact O-CG1 3.46Å; W171-V174 PolarHBondContact O-N 3.26Å; W171-I255 HydrophobicContact CZ2-CG2 4.13Å; W171-K265 HydrophobicContact CD2-CB 4.32Å; W171-K265 HydrophobicContact CG-CB 4.17Å; W171-I266 PolarHBondContact N-O 2.88Å; W171-K267 HydrophobicContact CB-CD 4.23Å; W171-K267 HydrophobicContact CG-CD 4.26Å
172E88Confident89.4Confident141 Ų14157.9 Ų57.966%0.65930%0.295SS*.EExtended strand (participates in β ladder)trans-56.3-33.8-179-68-63.3174.300113.3G192 S193E172-G192 WeakPolarHBondContact O-CA 3.35Å; E172-S193 PolarHBondContact O-N 3.11Å; E172-S193 PolarHBondContact OE2-OG 3.35Å
173D87.6Confident87.8Confident90 Ų9059.6 Ų59.648%0.48130%0.303SS..EExtended strand (participates in β ladder)trans-100.725.7179.369.6-26.4000113.1W171 K267W171-D173 PolarHBondContact O-N 3.45Å; W171-D173 VanDerWaalsContact O-N 3.15Å; D173-K267 IonicContact OD1-NZ 2.7Å; D173-K267 PolarHBondContact OD1-NZ 2.92Å; D173-K267 IonicContact OD2-NZ 3.31Å; D173-K267 PolarHBondContact OD2-NZ 3.28Å
174V94Very high86.2Confident0 Ų056.8 Ų56.80%030%0.304CS..EExtended strand (participates in β ladder)trans-57.4147.4175.365.90000111.6F170 W171 G192 T196 I266 K267F170-V174 HydrophobicContact CB-CB 4.12Å; F170-V174 HydrophobicContact CB-CG1 3.79Å; F170-V174 HydrophobicContact CB-CG2 4.4Å; F170-V174 HydrophobicContact CD1-CG1 4.43Å; F170-V174 HydrophobicContact CD1-CG2 4.04Å; F170-V174 HydrophobicContact CG-CG1 4.35Å; W171-V174 VanDerWaalsContact O-CB 3.24Å; W171-V174 WeakPolarHBondContact O-CB 3.48Å; W171-V174 VanDerWaalsContact O-CG1 3.26Å; W171-V174 WeakPolarHBondContact O-CG1 3.46Å; W171-V174 PolarHBondContact O-N 3.26Å; V174-G192 VanDerWaalsContact CG1-C 3.44Å; V174-G192 WeakPolarHBondContact CG1-O 2.98Å; V174-G192 PolarHBondContact O-N 3.02Å; V174-T196 HydrophobicContact CG1-CG2 4.13Å; V174-T196 WeakPolarHBondContact CG1-OG1 3.49Å; V174-T196 HydrophobicContact CG2-CG2 4.18Å; V174-I266 HydrophobicContact CG2-CG2 4.3Å; V174-K267 WeakPolarHBondContact CA-O 3.44Å
175R92.2Very high85Confident135 Ų13559.4 Ų59.451%0.50931%0.313SS..EExtended strand (participates in β ladder)trans-123.5132.7171.5-56.3-173.3-167.6-178.51111.1F190 F268 V269R175-F190 WeakPolarHBondContact CA-O 3.39Å; R175-F268 CarbonylContact O-C 3.58Å; R175-F268 WeakPolarHBondContact O-CA 3.41Å; R175-F268 WeakPolarHBondContact O-CB 3.46Å; R175-V269 PolarHBondContact O-N 3.4Å
176L95.6Very high84.2Confident0 Ų063.8 Ų63.80%034%0.335CS..EExtended strand (participates in β ladder)trans-109.9123.2170.5165.667000109.2E189 F190 T196 R199 L200 V269L176-E189 CarbonylContact O-C 3.57Å; L176-E189 VanDerWaalsContact O-CA 3.28Å; L176-E189 WeakPolarHBondContact O-CA 3.25Å; L176-F190 HydrophobicContact CB-CB 4.24Å; L176-F190 HydrophobicContact CD2-CD2 3.91Å; L176-F190 HydrophobicContact CD2-CG 4.43Å; L176-F190 HydrophobicContact CG-CD2 4.14Å; L176-F190 PolarHBondContact N-O 2.73Å; L176-F190 PolarHBondContact O-N 2.8Å; L176-T196 HydrophobicContact CB-CG2 3.87Å; L176-T196 HydrophobicContact CD2-CG2 4.46Å; L176-R199 HydrophobicContact CD2-CB 3.93Å; L176-R199 HydrophobicContact CD2-CG 3.89Å; L176-L200 HydrophobicContact CD1-CD2 4.37Å; L176-L200 HydrophobicContact CD2-CD2 4.37Å; L176-L200 HydrophobicContact CD2-CG 4.12Å; L176-V269 CarbonylContact C-O 3.6Å; L176-V269 VanDerWaalsContact CA-O 3.27Å; L176-V269 WeakPolarHBondContact CA-O 3.42Å; L176-V269 HydrophobicContact CD1-CB 3.74Å; L176-V269 HydrophobicContact CD1-CG1 3.72Å
177R94.2Very high83.8Confident75 Ų7568.1 Ų68.128%0.28335%0.354SS..EExtended strand (participates in β ladder)trans-111.1121.9169.8-69.5178.3-71.4-172-10.2109.6F179 E188 E189 V269 N270 L271R177-F179 HydrophobicContact CB-CE2 3.76Å; R177-F179 HydrophobicContact CB-CZ 4.23Å; R177-E188 CarbonylContact C-O 3.53Å; R177-E188 WeakPolarHBondContact CA-O 3.38Å; R177-E189 HydrophobicContact CG-CB 4.42Å; R177-E189 HydrophobicContact CG-CG 3.93Å; R177-V269 PolarHBondContact N-O 2.96Å; R177-N270 VanDerWaalsContact CZ-OD1 3.25Å; R177-N270 PolarHBondContact NE-OD1 3.49Å; R177-N270 PolarHBondContact NH2-ND2 2.78Å; R177-N270 PolarHBondContact NH2-OD1 3.27Å; R177-N270 CarbonylContact O-C 3.54Å; R177-N270 WeakPolarHBondContact O-CA 3.4Å; R177-L271 PolarHBondContact O-N 2.84Å
178L91.9Very high83.8Confident6 Ų669.7 Ų69.73%0.03136%0.358CS..EExtended strand (participates in β ladder)trans-111.3121.3178.6-169.3155.4000109.3M187 E188 L203 L271L178-M187 WeakPolarHBondContact O-CA 3.5Å; L178-E188 HydrophobicContact CB-CB 4.45Å; L178-E188 PolarHBondContact N-O 2.92Å; L178-E188 PolarHBondContact O-N 2.83Å; L178-L203 HydrophobicContact CD1-CD1 4.23Å; L178-L203 HydrophobicContact CD1-CD2 4.2Å; L178-L271 CarbonylContact C-O 3.52Å; L178-L271 WeakPolarHBondContact CA-O 3.45Å; L178-L271 HydrophobicContact CD1-CD2 4.44Å
179F88.8Confident83.8Confident61 Ų6169.6 Ų69.627%0.26836%0.357SS..EExtended strand (participates in β ladder)trans-110.6111.9176.1-58.6-92000108.7R177 Q186 M187 L271 K272 I273R177-F179 HydrophobicContact CB-CE2 3.76Å; R177-F179 HydrophobicContact CB-CZ 4.23Å; F179-Q186 WeakPolarHBondContact CA-O 3.49Å; F179-M187 HydrophobicContact CD1-CB 4.09Å; F179-M187 HydrophobicContact CD1-CG 3.84Å; F179-M187 HydrophobicContact CE1-CB 4.1Å; F179-M187 HydrophobicContact CE1-CG 3.51Å; F179-M187 HydrophobicContact CE1-SD 4.06Å; F179-M187 HydrophobicContact CZ-CG 3.98Å; F179-M187 HydrophobicContact CZ-SD 4.29Å; F179-L271 PolarHBondContact N-O 3.37Å; F179-K272 HydrophobicContact CB-CB 4.26Å; F179-K272 HydrophobicContact CB-CG 4.13Å; F179-K272 CarbonylContact O-C 3.38Å; F179-K272 WeakPolarHBondContact O-CA 3.38Å; F179-I273 PolarHBondContact O-N 3.09Å
180S82.8Confident83.8Confident30 Ų3070.1 Ų70.121%0.2136%0.359CS..EExtended strand (participates in β ladder)trans-108.9130.1175.3-176.10000110.1A182 G184 Q186S180-A182 PolarHBondContact OG-N 2.79Å; S180-G184 VanDerWaalsContact O-O 3.13Å; S180-Q186 PolarHBondContact N-O 2.82Å; S180-Q186 PolarHBondContact O-N 3.09Å; S180-Q186 VanDerWaalsContact O-N 3.09Å
181S74.7Confident83.7Confident44 Ų4474.4 Ų74.431%0.30838%0.379SS..  trans-99.93.6172-49.80000112.7I273S181-I273 PolarHBondContact N-O 2.83Å; S181-I273 VanDerWaalsContact N-O 3.09Å
182A64.9Low83.7Confident64 Ų6472.3 Ų72.353%0.52938%0.377SS..THydrogen-bonded Turntrans-73.1-30-173.500000113.7S180S180-A182 PolarHBondContact OG-N 2.79Å
183V55.7Low83.9Confident126 Ų12665.7 Ų65.776%0.76435%0.346SS*.THydrogen-bonded Turntrans-141.567.9-177.8-169.80000109.9
184G60.1Low84.1Confident48 Ų4866.2 Ų66.250%0.49535%0.345SS..SBendtrans70.5148.5-168.900000111.2S180 Q186S180-G184 VanDerWaalsContact O-O 3.13Å; G184-Q186 PolarHBondContact O-N 2.8Å
185Q65.9Low84.1Confident173 Ų17370.9 Ų70.981%0.80837%0.37SS*.SBendtrans-65.999.4-178.4-171.3173.4-13.900109.6
186Q77.1Confident84.2Confident119 Ų11964.4 Ų64.456%0.55635%0.345SS*.EExtended strand (participates in β ladder)trans-108.4135.5179.2-68.6-63.4-38.800109.6F179 S180 G184F179-Q186 WeakPolarHBondContact CA-O 3.49Å; S180-Q186 PolarHBondContact N-O 2.82Å; S180-Q186 PolarHBondContact O-N 3.09Å; S180-Q186 VanDerWaalsContact O-N 3.09Å; G184-Q186 PolarHBondContact O-N 2.8Å
187M86.5Confident84.3Confident96 Ų9664.7 Ų64.747%0.47335%0.347SS..EExtended strand (participates in β ladder)trans-115.8121171.8-173.2-149.186.300109.2L178 F179 E189L178-M187 WeakPolarHBondContact O-CA 3.5Å; F179-M187 HydrophobicContact CD1-CB 4.09Å; F179-M187 HydrophobicContact CD1-CG 3.84Å; F179-M187 HydrophobicContact CE1-CB 4.1Å; F179-M187 HydrophobicContact CE1-CG 3.51Å; F179-M187 HydrophobicContact CE1-SD 4.06Å; F179-M187 HydrophobicContact CZ-CG 3.98Å; F179-M187 HydrophobicContact CZ-SD 4.29Å; M187-E189 HydrophobicContact CE-CB 4.01Å
188E91.3Very high84.4Confident78 Ų7866.1 Ų66.136%0.36436%0.36SS..EExtended strand (participates in β ladder)trans-108.6143.7170.1-64.4172.6-116.800109.7R177 L178 F190R177-E188 CarbonylContact C-O 3.53Å; R177-E188 WeakPolarHBondContact CA-O 3.38Å; L178-E188 HydrophobicContact CB-CB 4.45Å; L178-E188 PolarHBondContact N-O 2.92Å; L178-E188 PolarHBondContact O-N 2.83Å; E188-F190 HydrophobicContact CB-CE2 3.71Å; E188-F190 HydrophobicContact CB-CZ 4.17Å; E188-F190 WeakPolarHBondContact OE2-CZ 3.3Å
189E92.3Very high84.7Confident77 Ų7768 Ų6836%0.3637%0.367SS..EExtended strand (participates in β ladder)trans-129.7132.5175.9-169.8173.4-159.900111.2L176 R177 M187 H191L176-E189 CarbonylContact O-C 3.57Å; L176-E189 VanDerWaalsContact O-CA 3.28Å; L176-E189 WeakPolarHBondContact O-CA 3.25Å; R177-E189 HydrophobicContact CG-CB 4.42Å; R177-E189 HydrophobicContact CG-CG 3.93Å; M187-E189 HydrophobicContact CE-CB 4.01Å; E189-H191 VanDerWaalsContact CG-CE1 3.48Å; E189-H191 WeakPolarHBondContact CG-CE1 3.04Å; E189-H191 IonicContact OE1-CE1 3.64Å; E189-H191 IonicContact OE1-NE2 3.64Å; E189-H191 IonicContact OE2-CE1 2.59Å
190F91.7Very high85.1Confident44 Ų4465.2 Ų65.219%0.19335%0.354CS..EExtended strand (participates in β ladder)trans-121.3137.7178.7-55.8-95000109.1R175 L176 E188 L195 R199R175-F190 WeakPolarHBondContact CA-O 3.39Å; L176-F190 HydrophobicContact CB-CB 4.24Å; L176-F190 HydrophobicContact CD2-CD2 3.91Å; L176-F190 HydrophobicContact CD2-CG 4.43Å; L176-F190 HydrophobicContact CG-CD2 4.14Å; L176-F190 PolarHBondContact N-O 2.73Å; L176-F190 PolarHBondContact O-N 2.8Å; E188-F190 HydrophobicContact CB-CE2 3.71Å; E188-F190 HydrophobicContact CB-CZ 4.17Å; E188-F190 WeakPolarHBondContact OE2-CZ 3.3Å; F190-L195 HydrophobicContact CB-CB 4.46Å; F190-R199 HydrophobicContact CD1-CB 4.19Å; F190-R199 HydrophobicContact CD1-CG 4.33Å; F190-R199 HydrophobicContact CD2-CB 4.35Å; F190-R199 HydrophobicContact CD2-CG 3.95Å; F190-R199 HydrophobicContact CE1-CB 4.25Å; F190-R199 HydrophobicContact CE1-CG 4.02Å; F190-R199 HydrophobicContact CE2-CB 4.42Å; F190-R199 HydrophobicContact CE2-CG 3.61Å; F190-R199 HydrophobicContact CG-CB 4.25Å; F190-R199 HydrophobicContact CG-CG 4.31Å; F190-R199 HydrophobicContact CZ-CB 4.38Å; F190-R199 VanDerWaalsContact CZ-CD 3.41Å; F190-R199 HydrophobicContact CZ-CG 3.66Å
191H91.7Very high85.7Confident94 Ų9464.8 Ų64.844%0.43535%0.35SS..EExtended strand (participates in β ladder)trans-120138.8-176-68.579.8000110.1E189E189-H191 VanDerWaalsContact CG-CE1 3.48Å; E189-H191 WeakPolarHBondContact CG-CE1 3.04Å; E189-H191 IonicContact OE1-CE1 3.64Å; E189-H191 IonicContact OE1-NE2 3.64Å; E189-H191 IonicContact OE2-CE1 2.59Å
192G90.2Very high86.8Confident18 Ų1863.6 Ų63.619%0.18634%0.342CS..SBendtrans92.6153.8178.600000113.3E172 V174 T196E172-G192 WeakPolarHBondContact O-CA 3.35Å; V174-G192 VanDerWaalsContact CG1-C 3.44Å; V174-G192 WeakPolarHBondContact CG1-O 2.98Å; V174-G192 PolarHBondContact O-N 3.02Å; G192-T196 VanDerWaalsContact O-CB 3.24Å; G192-T196 WeakPolarHBondContact O-CB 3.26Å; G192-T196 PolarHBondContact O-N 3.2Å; G192-T196 VanDerWaalsContact O-N 3.1Å; G192-T196 PolarHBondContact O-OG1 2.82Å
193S91.9Very high88.2Confident1 Ų160.7 Ų60.71%0.00732%0.318CS..Hα-helixtrans-63.7-41.3-174.866.50000111.8P167 E172 S197P167-S193 WeakPolarHBondContact CB-OG 3.36Å; E172-S193 PolarHBondContact O-N 3.11Å; E172-S193 PolarHBondContact OE2-OG 3.35Å; S193-S197 WeakPolarHBondContact O-CB 3.39Å; S193-S197 PolarHBondContact O-N 2.9Å
194E93.5Very high90.1Very high101 Ų10154.7 Ų54.747%0.47228%0.282SS..Hα-helixtrans-64.4-54.6178.6-72.271.4-156.200112.6P167 T196 S197 L198P167-E194 HydrophobicContact CB-CG 4.46Å; E194-T196 VanDerWaalsContact C-N 3.31Å; E194-T196 PolarHBondContact O-N 3.06Å; E194-S197 PolarHBondContact O-N 3.27Å; E194-L198 WeakPolarHBondContact O-CB 3.25Å; E194-L198 WeakPolarHBondContact O-CG 3.32Å; E194-L198 PolarHBondContact O-N 3.36Å
195L92.9Very high91.8Very high98 Ų9858 Ų5851%0.51328%0.279SS..Hα-helixtrans-65.4-37.8-176.7-67.4-177.5000111.5F190 R199F190-L195 HydrophobicContact CB-CB 4.46Å; L195-R199 WeakPolarHBondContact O-CB 3.3Å; L195-R199 PolarHBondContact O-N 2.93Å
196T95.4Very high93.2Very high0 Ų054.2 Ų54.20%026%0.264CS..Hα-helixtrans-63.3-47.5175-64.10000111.2F170 V174 L176 G192 E194 R199 L200F170-T196 HydrophobicContact CD1-CG2 3.86Å; F170-T196 HydrophobicContact CE1-CG2 3.73Å; F170-T196 HydrophobicContact CZ-CG2 4.29Å; V174-T196 HydrophobicContact CG1-CG2 4.13Å; V174-T196 WeakPolarHBondContact CG1-OG1 3.49Å; V174-T196 HydrophobicContact CG2-CG2 4.18Å; L176-T196 HydrophobicContact CB-CG2 3.87Å; L176-T196 HydrophobicContact CD2-CG2 4.46Å; G192-T196 VanDerWaalsContact O-CB 3.24Å; G192-T196 WeakPolarHBondContact O-CB 3.26Å; G192-T196 PolarHBondContact O-N 3.2Å; G192-T196 VanDerWaalsContact O-N 3.1Å; G192-T196 PolarHBondContact O-OG1 2.82Å; E194-T196 VanDerWaalsContact C-N 3.31Å; E194-T196 PolarHBondContact O-N 3.06Å; T196-R199 PolarHBondContact O-N 2.79Å; T196-L200 HydrophobicContact CG2-CD1 4.07Å; T196-L200 WeakPolarHBondContact O-CG 3.49Å; T196-L200 PolarHBondContact O-N 3.38Å; T196-L200 VanDerWaalsContact O-N 3.11Å
197S96.8Very high94Very high5 Ų551.7 Ų51.74%0.03525%0.253CS..Hα-helixtrans-61.6-45.9178.4-178.70000111.8W165 G166 S193 E194 L201W165-S197 PolarHBondContact NE1-O 3.37Å; W165-S197 PolarHBondContact NE1-OG 3.23Å; G166-S197 WeakPolarHBondContact CA-OG 3.48Å; G166-S197 PolarHBondContact O-OG 3.25Å; S193-S197 WeakPolarHBondContact O-CB 3.39Å; S193-S197 PolarHBondContact O-N 2.9Å; E194-S197 PolarHBondContact O-N 3.27Å; S197-L201 VanDerWaalsContact O-CB 3.28Å; S197-L201 WeakPolarHBondContact O-CB 3.4Å; S197-L201 PolarHBondContact O-N 3.23Å
198L96.5Very high94.4Very high106 Ų10653.4 Ų53.456%0.55525%0.254SS*.Hα-helixtrans-65.1-41.6178.8-73.5172.7000112.3E194 L201 A202E194-L198 WeakPolarHBondContact O-CB 3.25Å; E194-L198 WeakPolarHBondContact O-CG 3.32Å; E194-L198 PolarHBondContact O-N 3.36Å; L198-L201 WeakPolarHBondContact O-CB 3.34Å; L198-L201 PolarHBondContact O-N 3.23Å; L198-A202 WeakPolarHBondContact O-CB 3.33Å; L198-A202 PolarHBondContact O-N 3.47Å
199R97.1Very high94.6Very high46 Ų4650.3 Ų50.317%0.17424%0.24CC..Hα-helixtrans-66.4-45.3179.8-176.467.3-171.6116.5-2.7111.8L176 F190 L195 T196 L201 A202 L203 E207L176-R199 HydrophobicContact CD2-CB 3.93Å; L176-R199 HydrophobicContact CD2-CG 3.89Å; F190-R199 HydrophobicContact CD1-CB 4.19Å; F190-R199 HydrophobicContact CD1-CG 4.33Å; F190-R199 HydrophobicContact CD2-CB 4.35Å; F190-R199 HydrophobicContact CD2-CG 3.95Å; F190-R199 HydrophobicContact CE1-CB 4.25Å; F190-R199 HydrophobicContact CE1-CG 4.02Å; F190-R199 HydrophobicContact CE2-CB 4.42Å; F190-R199 HydrophobicContact CE2-CG 3.61Å; F190-R199 HydrophobicContact CG-CB 4.25Å; F190-R199 HydrophobicContact CG-CG 4.31Å; F190-R199 HydrophobicContact CZ-CB 4.38Å; F190-R199 VanDerWaalsContact CZ-CD 3.41Å; F190-R199 HydrophobicContact CZ-CG 3.66Å; L195-R199 WeakPolarHBondContact O-CB 3.3Å; L195-R199 PolarHBondContact O-N 2.93Å; T196-R199 PolarHBondContact O-N 2.79Å; R199-L201 VanDerWaalsContact C-N 3.33Å; R199-A202 WeakPolarHBondContact O-CB 3.4Å; R199-A202 PolarHBondContact O-N 3.16Å; R199-L203 PolarHBondContact O-N 3.06Å; R199-E207 IonicContact CZ-OE1 2.66Å; R199-E207 VanDerWaalsContact CZ-OE1 3.31Å; R199-E207 IonicContact NH1-OE1 2.98Å; R199-E207 PolarHBondContact NH1-OE1 3.1Å; R199-E207 IonicContact NH2-OE1 2.6Å; R199-E207 PolarHBondContact NH2-OE1 3.06Å
200L97.4Very high94.8Very high1 Ų147.6 Ų47.61%0.00523%0.228CC..Hα-helixtrans-62.1-41.8175.3-73.2170.1000111.3F147 L151 W165 F170 L176 T196 A202 L203 A204F147-L200 HydrophobicContact CZ-CD1 4.18Å; L151-L200 HydrophobicContact CD1-CB 4.38Å; L151-L200 WeakPolarHBondContact CD1-O 3.47Å; W165-L200 HydrophobicContact CH2-CB 4.28Å; W165-L200 HydrophobicContact CH2-CD1 4.21Å; W165-L200 HydrophobicContact CZ2-CB 3.7Å; W165-L200 HydrophobicContact CZ2-CD1 4.11Å; F170-L200 HydrophobicContact CE1-CD1 3.85Å; F170-L200 HydrophobicContact CZ-CD1 3.71Å; L176-L200 HydrophobicContact CD1-CD2 4.37Å; L176-L200 HydrophobicContact CD2-CD2 4.37Å; L176-L200 HydrophobicContact CD2-CG 4.12Å; T196-L200 HydrophobicContact CG2-CD1 4.07Å; T196-L200 WeakPolarHBondContact O-CG 3.49Å; T196-L200 PolarHBondContact O-N 3.38Å; T196-L200 VanDerWaalsContact O-N 3.11Å; L200-A202 VanDerWaalsContact C-N 3.31Å; L200-A202 PolarHBondContact O-N 3.43Å; L200-L203 HydrophobicContact CD2-CD1 4.2Å; L200-L203 WeakPolarHBondContact O-CB 3.4Å; L200-L203 PolarHBondContact O-N 2.97Å; L200-A204 PolarHBondContact O-N 2.63Å
201L96.8Very high95Very high22 Ų2245.8 Ų45.812%0.11522%0.22CC..Hα-helixtrans-58.3-43.2174.2-179.761.7000111.8Q154 S197 L198 R199 L203 A204 R205Q154-L201 HydrophobicContact CB-CD1 3.6Å; Q154-L201 HydrophobicContact CG-CD1 3.54Å; S197-L201 VanDerWaalsContact O-CB 3.28Å; S197-L201 WeakPolarHBondContact O-CB 3.4Å; S197-L201 PolarHBondContact O-N 3.23Å; L198-L201 WeakPolarHBondContact O-CB 3.34Å; L198-L201 PolarHBondContact O-N 3.23Å; R199-L201 VanDerWaalsContact C-N 3.33Å; L201-L203 VanDerWaalsContact C-N 3.31Å; L201-L203 PolarHBondContact O-N 3.21Å; L201-A204 PolarHBondContact O-N 3.32Å; L201-R205 HydrophobicContact CD1-CB 4.28Å; L201-R205 WeakPolarHBondContact O-CB 3.16Å; L201-R205 PolarHBondContact O-N 3.43Å
202A96.3Very high95.2Very high18 Ų1843.9 Ų43.915%0.14922%0.217CC..Hα-helixtrans-61.7-37.2178.500000112.4L198 R199 L200 A204 D206 E207L198-A202 WeakPolarHBondContact O-CB 3.33Å; L198-A202 PolarHBondContact O-N 3.47Å; R199-A202 WeakPolarHBondContact O-CB 3.4Å; R199-A202 PolarHBondContact O-N 3.16Å; L200-A202 VanDerWaalsContact C-N 3.31Å; L200-A202 PolarHBondContact O-N 3.43Å; A202-A204 VanDerWaalsContact C-N 3.35Å; A202-A204 PolarHBondContact O-N 3.34Å; A202-D206 HydrophobicContact CB-CB 4.47Å; A202-D206 WeakPolarHBondContact O-CA 3.3Å; A202-D206 WeakPolarHBondContact O-CB 3.39Å; A202-D206 PolarHBondContact O-N 2.84Å; A202-E207 PolarHBondContact O-N 3.32Å
203L95.6Very high95.5Very high4 Ų444.8 Ų44.82%0.02122%0.22CC..Hα-helixtrans-58.3-46.9174.2-63.6175.1000111.4L178 R199 L200 L201 E207 R208 L209 L271L178-L203 HydrophobicContact CD1-CD1 4.23Å; L178-L203 HydrophobicContact CD1-CD2 4.2Å; R199-L203 PolarHBondContact O-N 3.06Å; L200-L203 HydrophobicContact CD2-CD1 4.2Å; L200-L203 WeakPolarHBondContact O-CB 3.4Å; L200-L203 PolarHBondContact O-N 2.97Å; L201-L203 VanDerWaalsContact C-N 3.31Å; L201-L203 PolarHBondContact O-N 3.21Å; L203-E207 WeakPolarHBondContact CD2-OE2 3.23Å; L203-R208 PolarHBondContact O-N 2.89Å; L203-L209 HydrophobicContact CB-CD1 4.49Å; L203-L209 HydrophobicContact CD2-CD1 4.29Å; L203-L209 VanDerWaalsContact O-CB 3.31Å; L203-L209 WeakPolarHBondContact O-CB 3.31Å; L203-L209 WeakPolarHBondContact O-CG 3.48Å; L203-L209 PolarHBondContact O-N 2.83Å; L203-L271 HydrophobicContact CD1-CD2 3.73Å
204A95.7Very high95.5Very high0 Ų046 Ų460%023%0.226CC..Hα-helixtrans-78-42.5-176.300000113.1L151 Q154 N155 L200 L201 A202 R208L151-A204 HydrophobicContact CD1-CB 3.76Å; L151-A204 HydrophobicContact CG-CB 3.96Å; L151-A204 WeakPolarHBondContact O-CB 3.3Å; Q154-A204 HydrophobicContact CB-CB 4.28Å; N155-A204 WeakPolarHBondContact CA-O 3.37Å; N155-A204 WeakPolarHBondContact CB-O 3.17Å; N155-A204 VanDerWaalsContact CG-O 3.28Å; N155-A204 PolarHBondContact ND2-O 2.87Å; L200-A204 PolarHBondContact O-N 2.63Å; L201-A204 PolarHBondContact O-N 3.32Å; A202-A204 VanDerWaalsContact C-N 3.35Å; A202-A204 PolarHBondContact O-N 3.34Å; A204-R208 WeakPolarHBondContact O-CA 3.47Å
205R95Very high95.4Very high116 Ų11642.8 Ų42.844%0.43821%0.212SC..Hα-helixtrans-91.2-50.3-171.2-170-173.773.4-169.5-2.7113Q154 L201Q154-R205 HydrophobicContact CB-CB 4.48Å; Q154-R205 WeakPolarHBondContact O-CG 3.3Å; L201-R205 HydrophobicContact CD1-CB 4.28Å; L201-R205 WeakPolarHBondContact O-CB 3.16Å; L201-R205 PolarHBondContact O-N 3.43Å
206D95.2Very high95.1Very high94 Ų9442.9 Ų42.950%0.50321%0.213SC..THydrogen-bonded Turntrans-89.3-42.4-168.9-55.4-24.2000110.3A202 R208A202-D206 HydrophobicContact CB-CB 4.47Å; A202-D206 WeakPolarHBondContact O-CA 3.3Å; A202-D206 WeakPolarHBondContact O-CB 3.39Å; A202-D206 PolarHBondContact O-N 2.84Å; D206-R208 VanDerWaalsContact C-N 3.33Å
207E94.3Very high94.3Very high66 Ų6647.5 Ų47.531%0.30824%0.243SC..SBendtrans-84.9-7.7175.3-60177.2-148.100113.5R199 A202 L203 L209 R240R199-E207 IonicContact CZ-OE1 2.66Å; R199-E207 VanDerWaalsContact CZ-OE1 3.31Å; R199-E207 IonicContact NH1-OE1 2.98Å; R199-E207 PolarHBondContact NH1-OE1 3.1Å; R199-E207 IonicContact NH2-OE1 2.6Å; R199-E207 PolarHBondContact NH2-OE1 3.06Å; A202-E207 PolarHBondContact O-N 3.32Å; L203-E207 WeakPolarHBondContact CD2-OE2 3.23Å; E207-L209 VanDerWaalsContact C-N 3.28Å; E207-L209 HydrophobicContact CB-CD1 4.37Å; E207-L209 HydrophobicContact CB-CG 4.03Å; E207-L209 PolarHBondContact O-N 2.83Å; E207-R240 PolarHBondContact O-NE 3.37Å; E207-R240 PolarHBondContact O-NH2 2.93Å; E207-R240 VanDerWaalsContact O-NH2 3.16Å
208R95.1Very high93.7Very high132 Ų13250.7 Ų50.750%0.49826%0.264SS..  trans55.437.3177.6-55.3-176.8-174.5-178.41.1113.9N155 L203 A204 D206N155-R208 PolarHBondContact ND2-O 2.78Å; N155-R208 VanDerWaalsContact ND2-O 3.1Å; L203-R208 PolarHBondContact O-N 2.89Å; A204-R208 WeakPolarHBondContact O-CA 3.47Å; D206-R208 VanDerWaalsContact C-N 3.33Å
209L95.3Very high93.3Very high13 Ų1345.7 Ų45.77%0.06824%0.237CC..  trans-83.2136.2176.3-54.6-177.7000110.4N155 L203 E207 L211 I238 L245N155-L209 VanDerWaalsContact ND2-C 3.35Å; N155-L209 PolarHBondContact ND2-O 2.87Å; L203-L209 HydrophobicContact CB-CD1 4.49Å; L203-L209 HydrophobicContact CD2-CD1 4.29Å; L203-L209 VanDerWaalsContact O-CB 3.31Å; L203-L209 WeakPolarHBondContact O-CB 3.31Å; L203-L209 WeakPolarHBondContact O-CG 3.48Å; L203-L209 PolarHBondContact O-N 2.83Å; E207-L209 VanDerWaalsContact C-N 3.28Å; E207-L209 HydrophobicContact CB-CD1 4.37Å; E207-L209 HydrophobicContact CB-CG 4.03Å; E207-L209 PolarHBondContact O-N 2.83Å; L209-L211 HydrophobicContact CB-CD1 4.38Å; L209-I238 HydrophobicContact CB-CG2 4.11Å; L209-I238 HydrophobicContact CD1-CG2 4.33Å; L209-I238 HydrophobicContact CD2-CG2 3.89Å; L209-I238 HydrophobicContact CG-CG2 4.33Å; L209-L245 HydrophobicContact CD2-CD1 3.8Å
210L95.9Very high93Very high21 Ų2143.9 Ų43.911%0.1123%0.231CC..EExtended strand (participates in β ladder)trans-108.5124.5168.6-70.7173.2000108.3N152 N155 L158 I238 H239N152-L210 HydrophobicContact CB-CD2 3.99Å; N155-L210 HydrophobicContact CB-CD2 3.7Å; N155-L210 WeakPolarHBondContact ND2-CD2 3.38Å; N155-L210 WeakPolarHBondContact ND2-CG 3.46Å; L158-L210 HydrophobicContact CD1-CD2 3.75Å; L158-L210 HydrophobicContact CD2-CD1 4.09Å; L158-L210 HydrophobicContact CD2-CD2 4.19Å; L158-L210 HydrophobicContact CG-CD2 3.84Å; L210-I238 CarbonylContact O-C 3.55Å; L210-I238 WeakPolarHBondContact O-CA 3.15Å; L210-H239 HydrophobicContact CB-CB 4.21Å; L210-H239 PolarHBondContact N-O 3.13Å; L210-H239 PolarHBondContact O-N 2.94Å
211L96.2Very high92.6Very high5 Ų547.6 Ų47.63%0.02625%0.248CC..EExtended strand (participates in β ladder)trans-102.5116.6179.3-70.786.1000109.4F148 L151 N152 L209 P213 I238 Y248F148-L211 HydrophobicContact CD1-CB 3.71Å; F148-L211 HydrophobicContact CD1-CD2 4.44Å; F148-L211 HydrophobicContact CE1-CB 3.92Å; F148-L211 HydrophobicContact CE1-CD2 3.92Å; L151-L211 HydrophobicContact CD2-CD1 4.32Å; N152-L211 PolarHBondContact ND2-O 2.83Å; N152-L211 PolarHBondContact OD1-N 3.05Å; L209-L211 HydrophobicContact CB-CD1 4.38Å; L211-P213 WeakPolarHBondContact O-CD 3.37Å; L211-I238 HydrophobicContact CG-CG1 4.48Å; L211-Y248 HydrophobicContact CB-CE1 3.97Å; L211-Y248 HydrophobicContact CD2-CD1 4.45Å; L211-Y248 HydrophobicContact CD2-CD2 4.32Å; L211-Y248 HydrophobicContact CD2-CE1 4.21Å; L211-Y248 HydrophobicContact CD2-CE2 4.1Å; L211-Y248 HydrophobicContact CD2-CG 4.48Å; L211-Y248 HydrophobicContact CG-CE1 4.28Å
212S95.4Very high92.3Very high54 Ų5448.2 Ų48.238%0.37825%0.252SS..EExtended strand (participates in β ladder)trans-107.2100.6-179.6-68.40000109.7G236 T237S212-G236 CarbonylContact O-C 3.55Å; S212-G236 WeakPolarHBondContact O-CA 3.06Å; S212-T237 WeakPolarHBondContact CB-OG1 3.28Å; S212-T237 PolarHBondContact N-O 2.98Å; S212-T237 PolarHBondContact O-N 3.2Å
213P96.4Very high91.8Very high37 Ų3749.4 Ų49.424%0.2426%0.256CS..EExtended strand (participates in β ladder)trans-75.4141.3-17731.7-37.5000112.1F148 L211 L215 V234 Y248F148-P213 HydrophobicContact CB-CG 4.09Å; F148-P213 HydrophobicContact CD2-CB 3.65Å; F148-P213 HydrophobicContact CD2-CG 3.52Å; F148-P213 HydrophobicContact CE2-CB 3.75Å; F148-P213 HydrophobicContact CE2-CG 4.17Å; F148-P213 HydrophobicContact CG-CB 4.31Å; F148-P213 HydrophobicContact CG-CG 3.9Å; F148-P213 HydrophobicContact CZ-CB 4.46Å; L211-P213 WeakPolarHBondContact O-CD 3.37Å; P213-L215 HydrophobicContact CB-CD2 3.9Å; P213-L215 HydrophobicContact CB-CG 4.43Å; P213-L215 HydrophobicContact CG-CD2 4.09Å; P213-L215 HydrophobicContact CG-CG 4.34Å; P213-V234 HydrophobicContact CB-CG2 3.69Å; P213-Y248 WeakPolarHBondContact CA-OH 3.4Å
214N93.1Very high91Very high26 Ų2652.2 Ų52.214%0.13928%0.275CS..  trans-88.4105.1165.2-179.68.5000109.6D216 G219 A235 P288N214-D216 PolarHBondContact OD1-N 3.41Å; N214-D216 PolarHBondContact OD1-O 2.63Å; N214-G219 CarbonylContact O-C 3.15Å; N214-G219 WeakPolarHBondContact O-CA 3.39Å; N214-A235 WeakPolarHBondContact CB-O 3.14Å; N214-A235 PolarHBondContact N-O 3.33Å; N214-P288 HydrophobicContact CB-CG 4Å; N214-P288 PolarHBondContact ND2-O 3Å
215L91.5Very high89.7Confident34 Ų3452.8 Ų52.818%0.17828%0.28CS..  trans-90.4-2.2-175.2-57.6-178.8000113.9R141 C144 Q145 P213R141-L215 PolarHBondContact NE-O 3.08Å; C144-L215 HydrophobicContact CB-CD2 3.46Å; C144-L215 VanDerWaalsContact CB-CD2 3.46Å; Q145-L215 HydrophobicContact CG-CD1 3.47Å; Q145-L215 VanDerWaalsContact CG-CD1 3.47Å; P213-L215 HydrophobicContact CB-CD2 3.9Å; P213-L215 HydrophobicContact CB-CG 4.43Å; P213-L215 HydrophobicContact CG-CD2 4.09Å; P213-L215 HydrophobicContact CG-CG 4.34Å
216D85.5Confident87.8Confident101 Ų10153.1 Ų53.154%0.5430%0.297SS..SBendtrans-94.5148.4175.4-66.4-45.3000110.1N214 G219 L220N214-D216 PolarHBondContact OD1-N 3.41Å; N214-D216 PolarHBondContact OD1-O 2.63Å; D216-G219 WeakPolarHBondContact O-CA 3.4Å; D216-G219 PolarHBondContact O-N 3.38Å; D216-L220 PolarHBondContact O-N 2.96Å
217P78.7Confident86.2Confident96 Ų9656.5 Ų56.562%0.62331%0.309SS*.THydrogen-bonded Turntrans-57.5130.2166.5-19.932.5000109
218P84.2Confident85.3Confident73 Ų7355.4 Ų55.447%0.47432%0.316SS..THydrogen-bonded Turncis-96.57.515.938.2-38.4000116.3A289 L290P218-A289 HydrophobicContact CB-CB 4.13Å; P218-A289 HydrophobicContact CG-CB 3.61Å; P218-L290 PolarHBondContact O-N 3.1Å
219G88.1Confident84.8Confident0 Ų050.1 Ų50.10%030%0.297CS..THydrogen-bonded Turntrans-75.4-20.4-176.500000114.9N214 D216 V234 A235 L290N214-G219 CarbonylContact O-C 3.15Å; N214-G219 WeakPolarHBondContact O-CA 3.39Å; D216-G219 WeakPolarHBondContact O-CA 3.4Å; D216-G219 PolarHBondContact O-N 3.38Å; G219-V234 CarbonylContact O-C 3.47Å; G219-V234 VanDerWaalsContact O-CA 3.25Å; G219-V234 WeakPolarHBondContact O-CA 3.46Å; G219-A235 PolarHBondContact O-N 3.26Å; G219-L290 WeakPolarHBondContact O-CD1 3.44Å
220L91.8Very high84.5Confident9 Ų949.6 Ų49.65%0.04730%0.295CS..EExtended strand (participates in β ladder)trans-124.2130.6179.6-175.469.1000111.3L137 A140 R141 D216 V232 A233 V234L137-L220 HydrophobicContact CD1-CD2 4.04Å; A140-L220 HydrophobicContact CB-CD1 4.36Å; A140-L220 HydrophobicContact CB-CD2 4.27Å; R141-L220 HydrophobicContact CB-CD2 4.46Å; R141-L220 HydrophobicContact CG-CD2 3.45Å; R141-L220 VanDerWaalsContact CG-CD2 3.45Å; D216-L220 PolarHBondContact O-N 2.96Å; L220-V232 HydrophobicContact CD1-CG1 3.9Å; L220-A233 WeakPolarHBondContact CA-O 3.25Å; L220-V234 HydrophobicContact CD1-CB 4.1Å; L220-V234 HydrophobicContact CD1-CG2 4.36Å
221K89.9Confident84.3Confident79 Ų7948.7 Ų48.734%0.34329%0.29SS..EExtended strand (participates in β ladder)trans-132144.3170.3-72173.3-169.1168.80109.8A233 L290 C292K221-A233 HydrophobicContact CB-CB 4.41Å; K221-A233 PolarHBondContact N-O 3.47Å; K221-A233 PolarHBondContact O-N 2.68Å; K221-L290 HydrophobicContact CB-CD1 3.73Å; K221-L290 HydrophobicContact CD-CB 4.36Å; K221-L290 HydrophobicContact CD-CD1 3.84Å; K221-L290 HydrophobicContact CG-CD1 3.65Å; K221-C292 PolarHBondContact NZ-O 3.29Å; K221-C292 VanDerWaalsContact NZ-O 3.09Å
222V89.6Confident84.2Confident34 Ų3448.4 Ų48.421%0.20629%0.289CS..EExtended strand (participates in β ladder)trans-127.7138.6175.266.20000109.8H136 L137 A140 V230 L231 V232H136-V222 HydrophobicContact CB-CG1 4.07Å; H136-V222 HydrophobicContact CB-CG2 3.93Å; L137-V222 HydrophobicContact CB-CG1 4.3Å; L137-V222 HydrophobicContact CD1-CG1 4.39Å; A140-V222 HydrophobicContact CB-CB 3.98Å; A140-V222 HydrophobicContact CB-CG2 4.08Å; V222-V230 HydrophobicContact CG2-CG1 3.73Å; V222-L231 VanDerWaalsContact CA-O 3.28Å; V222-L231 WeakPolarHBondContact CA-O 3.32Å; V222-L231 WeakPolarHBondContact CG2-O 3.33Å; V222-V232 HydrophobicContact CG2-CG2 4.5Å
223L85.6Confident84.2Confident44 Ų4445.9 Ų45.923%0.2327%0.271CS..EExtended strand (participates in β ladder)trans-131.8140.9169.4-64.2176.3000108.4V230 L231 L297 Q298L223-V230 CarbonylContact O-C 3.56Å; L223-L231 HydrophobicContact CB-CB 4.29Å; L223-L231 PolarHBondContact N-O 2.99Å; L223-L231 PolarHBondContact O-N 3.23Å; L223-L297 HydrophobicContact CD1-CB 3.46Å; L223-L297 VanDerWaalsContact CD1-CB 3.46Å; L223-L297 HydrophobicContact CD1-CD1 4.09Å; L223-L297 HydrophobicContact CD1-CG 4.44Å; L223-Q298 HydrophobicContact CD1-CG 4.23Å
224S78.4Confident84.2Confident62 Ų6244.1 Ų44.143%0.43426%0.259SS..EExtended strand (participates in β ladder)trans-111.4135170.851.90000109.8H136H136-S224 WeakPolarHBondContact CE1-CB 3.31Å; H136-S224 PolarHBondContact NE2-OG 3.38Å
225S69Low84.3Confident13 Ų1342.9 Ų42.99%0.09125%0.253CS..  trans-86.4151.3170.475.20000109.9H227 G228 L229S225-H227 PolarHBondContact O-N 2.75Å; S225-H227 PolarHBondContact OG-N 2.79Å; S225-G228 PolarHBondContact O-N 3.44Å; S225-L229 PolarHBondContact N-O 3.31Å; S225-L229 WeakPolarHBondContact OG-CB 3.37Å; S225-L229 PolarHBondContact OG-N 3.09Å; S225-L229 VanDerWaalsContact OG-N 3.11Å; S225-L229 PolarHBondContact OG-O 3.42Å
226P55.3Low84.5Confident123 Ų12341.3 Ų41.380%0.79924%0.244SC*.THydrogen-bonded Turntrans-59.1-17.1170.7-23.834.3000114
227H62Low85Confident164 Ų16437.9 Ų37.976%0.75923%0.227SC*.THydrogen-bonded Turntrans-92.910.6-177.4-55.9-56.7000113.5S225 L229S225-H227 PolarHBondContact O-N 2.75Å; S225-H227 PolarHBondContact OG-N 2.79Å; H227-L229 VanDerWaalsContact C-N 3.34Å; H227-L229 PolarHBondContact O-N 2.9Å
228G74.8Confident85.7Confident43 Ų4333.6 Ų33.644%0.44320%0.199SC..SBendtrans86.5-2.6173.900000115.4S225S225-G228 PolarHBondContact O-N 3.44Å
229L83.9Confident86.1Confident21 Ų2132.5 Ų32.511%0.1119%0.187CC..EExtended strand (participates in β ladder)trans-74.9128.7167.3178.575000109.7S225 H227 L231 L254 I255 K267 F268S225-L229 PolarHBondContact N-O 3.31Å; S225-L229 WeakPolarHBondContact OG-CB 3.37Å; S225-L229 PolarHBondContact OG-N 3.09Å; S225-L229 VanDerWaalsContact OG-N 3.11Å; S225-L229 PolarHBondContact OG-O 3.42Å; H227-L229 VanDerWaalsContact C-N 3.34Å; H227-L229 PolarHBondContact O-N 2.9Å; L229-L231 HydrophobicContact CD2-CD2 3.86Å; L229-L231 HydrophobicContact CG-CD2 4.12Å; L229-L254 WeakPolarHBondContact CA-O 3.46Å; L229-I255 HydrophobicContact CB-CG1 4.43Å; L229-I255 HydrophobicContact CD1-CD1 4.16Å; L229-I255 HydrophobicContact CD1-CG1 3.65Å; L229-K267 HydrophobicContact CD1-CB 4.46Å; L229-F268 HydrophobicContact CD1-CE1 4.21Å; L229-F268 HydrophobicContact CD2-CE1 4.04Å
230V88.8Confident86.4Confident3 Ų337.6 Ų37.62%0.01821%0.207CC..EExtended strand (participates in β ladder)trans-108.2120.8170.2178.20000108.9L139 V222 L223 V232 L254 W264L139-V230 HydrophobicContact CD2-CG1 3.98Å; V222-V230 HydrophobicContact CG2-CG1 3.73Å; L223-V230 CarbonylContact O-C 3.56Å; V230-V232 HydrophobicContact CG1-CG2 4.31Å; V230-L254 HydrophobicContact CB-CB 4.39Å; V230-L254 PolarHBondContact N-O 2.99Å; V230-L254 WeakPolarHBondContact O-CB 3.43Å; V230-L254 PolarHBondContact O-N 2.91Å; V230-W264 HydrophobicContact CB-CH2 4.41Å; V230-W264 HydrophobicContact CB-CZ3 3.96Å; V230-W264 HydrophobicContact CG2-CH2 3.53Å; V230-W264 HydrophobicContact CG2-CZ3 3.51Å
231L92.1Very high86.2Confident1 Ų141.1 Ų41.11%0.00523%0.226CC..EExtended strand (participates in β ladder)trans-89.1128.3172.5-61.3-172.5000110.6V222 L223 L229 F252 F268 L297 L300 C301V222-L231 VanDerWaalsContact CA-O 3.28Å; V222-L231 WeakPolarHBondContact CA-O 3.32Å; V222-L231 WeakPolarHBondContact CG2-O 3.33Å; L223-L231 HydrophobicContact CB-CB 4.29Å; L223-L231 PolarHBondContact N-O 2.99Å; L223-L231 PolarHBondContact O-N 3.23Å; L229-L231 HydrophobicContact CD2-CD2 3.86Å; L229-L231 HydrophobicContact CG-CD2 4.12Å; L231-F252 CarbonylContact C-O 3.51Å; L231-F252 VanDerWaalsContact CA-O 3.3Å; L231-F252 WeakPolarHBondContact CA-O 3.48Å; L231-F268 HydrophobicContact CD2-CE1 4.09Å; L231-F268 HydrophobicContact CD2-CE2 4.17Å; L231-F268 HydrophobicContact CD2-CZ 3.35Å; L231-L297 HydrophobicContact CD1-CB 4.17Å; L231-L297 WeakPolarHBondContact CD1-O 3.33Å; L231-L300 HydrophobicContact CD1-CB 4.14Å; L231-C301 WeakPolarHBondContact CD1-SG 3.4Å
232V94.9Very high86Confident0 Ų045.3 Ų45.30%025%0.252CS..EExtended strand (participates in β ladder)trans-117.9112.7171.6-179.20000107.9A140 F143 C144 L220 V222 V230 V251 F252 L254A140-V232 HydrophobicContact CB-CG1 3.92Å; A140-V232 HydrophobicContact CB-CG2 3.87Å; F143-V232 HydrophobicContact CD1-CB 4.45Å; F143-V232 HydrophobicContact CD1-CG1 4.27Å; F143-V232 HydrophobicContact CD1-CG2 4.46Å; C144-V232 VanDerWaalsContact SG-CG1 3.56Å; L220-V232 HydrophobicContact CD1-CG1 3.9Å; V222-V232 HydrophobicContact CG2-CG2 4.5Å; V230-V232 HydrophobicContact CG1-CG2 4.31Å; V232-V251 CarbonylContact O-C 3.56Å; V232-V251 WeakPolarHBondContact O-CA 3.12Å; V232-F252 HydrophobicContact CB-CB 4.41Å; V232-F252 PolarHBondContact N-O 2.84Å; V232-F252 PolarHBondContact O-N 2.8Å; V232-L254 HydrophobicContact CG2-CD1 3.64Å; V232-L254 HydrophobicContact CG2-CG 4.34Å
233A94.8Very high86.1Confident0 Ų047.9 Ų47.90%027%0.267CS..EExtended strand (participates in β ladder)trans-105130173.500000109L220 K221 Q250 V251 L290 L297L220-A233 WeakPolarHBondContact CA-O 3.25Å; K221-A233 HydrophobicContact CB-CB 4.41Å; K221-A233 PolarHBondContact N-O 3.47Å; K221-A233 PolarHBondContact O-N 2.68Å; A233-Q250 CarbonylContact C-O 3.59Å; A233-Q250 WeakPolarHBondContact CA-O 3.33Å; A233-V251 HydrophobicContact CB-CG2 4.06Å; A233-L290 HydrophobicContact CB-CD1 3.94Å; A233-L290 HydrophobicContact CB-CD2 4.08Å; A233-L290 WeakPolarHBondContact O-CD1 3.48Å; A233-L297 HydrophobicContact CB-CD1 3.96Å; A233-L297 HydrophobicContact CB-CD2 3.92Å
234V96.6Very high86.3Confident0 Ų047.6 Ų47.60%027%0.269CS..EExtended strand (participates in β ladder)trans-137.8132.5-178.161.50000110.8F148 P213 G219 L220 E249 Q250 F252F148-V234 HydrophobicContact CE2-CG1 3.78Å; F148-V234 HydrophobicContact CE2-CG2 4.41Å; F148-V234 HydrophobicContact CZ-CG1 3.78Å; P213-V234 HydrophobicContact CB-CG2 3.69Å; G219-V234 CarbonylContact O-C 3.47Å; G219-V234 VanDerWaalsContact O-CA 3.25Å; G219-V234 WeakPolarHBondContact O-CA 3.46Å; L220-V234 HydrophobicContact CD1-CB 4.1Å; L220-V234 HydrophobicContact CD1-CG2 4.36Å; V234-E249 CarbonylContact O-C 3.59Å; V234-E249 WeakPolarHBondContact O-CA 3.39Å; V234-Q250 HydrophobicContact CG1-CB 4.05Å; V234-Q250 PolarHBondContact N-O 2.9Å; V234-Q250 PolarHBondContact O-N 3.44Å; V234-F252 HydrophobicContact CG1-CE2 3.98Å
235A95.6Very high87Confident1 Ų147.4 Ų47.41%0.00826%0.262CS..EExtended strand (participates in β ladder)trans-99.4154.4169.300000109.7N214 G219 Y248 E249 P288 L290N214-A235 WeakPolarHBondContact CB-O 3.14Å; N214-A235 PolarHBondContact N-O 3.33Å; G219-A235 PolarHBondContact O-N 3.26Å; A235-Y248 CarbonylContact C-O 3.56Å; A235-Y248 VanDerWaalsContact CA-O 3.25Å; A235-Y248 WeakPolarHBondContact CA-O 3.33Å; A235-E249 HydrophobicContact CB-CG 4.5Å; A235-P288 HydrophobicContact CB-CB 4.27Å; A235-L290 HydrophobicContact CB-CD2 4Å; A235-L290 HydrophobicContact CB-CG 4.04Å
236G95.3Very high88Confident0 Ų046.9 Ų46.90%026%0.259CS..EExtended strand (participates in β ladder)trans-168.9-176.9178.400000112.7S212 V247 Y248S212-G236 CarbonylContact O-C 3.55Å; S212-G236 WeakPolarHBondContact O-CA 3.06Å; G236-V247 CarbonylContact O-C 3.56Å; G236-V247 VanDerWaalsContact O-CA 3.27Å; G236-V247 WeakPolarHBondContact O-CA 3.15Å; G236-V247 WeakPolarHBondContact O-CB 3.26Å; G236-Y248 PolarHBondContact N-O 2.95Å; G236-Y248 WeakPolarHBondContact O-CD1 3.5Å; G236-Y248 PolarHBondContact O-N 3.33Å
237T94.8Very high89.8Confident30 Ų3042.7 Ų42.718%0.18423%0.231CC..EExtended strand (participates in β ladder)trans-104.6149.3174.254.40000111.1S212 H239 G246 V247 Y248 P288S212-T237 WeakPolarHBondContact CB-OG1 3.28Å; S212-T237 PolarHBondContact N-O 2.98Å; S212-T237 PolarHBondContact O-N 3.2Å; T237-H239 VanDerWaalsContact CB-NE2 3.32Å; T237-H239 WeakPolarHBondContact CB-NE2 3.25Å; T237-H239 PolarHBondContact OG1-CD2 3.24Å; T237-H239 VanDerWaalsContact OG1-CD2 3.25Å; T237-H239 PolarHBondContact OG1-NE2 3.1Å; T237-G246 WeakPolarHBondContact CA-O 3.39Å; T237-V247 HydrophobicContact CG2-CG1 4.49Å; T237-Y248 WeakPolarHBondContact O-CE1 3.17Å; T237-P288 HydrophobicContact CG2-CG 4.05Å
238I94.7Very high91.4Very high5 Ų535 Ų353%0.02620%0.196CC..EExtended strand (participates in β ladder)trans-105.6129.7171-65.9170.4000108L209 L210 L211 L245 G246 Y248 I273L209-I238 HydrophobicContact CB-CG2 4.11Å; L209-I238 HydrophobicContact CD1-CG2 4.33Å; L209-I238 HydrophobicContact CD2-CG2 3.89Å; L209-I238 HydrophobicContact CG-CG2 4.33Å; L210-I238 CarbonylContact O-C 3.55Å; L210-I238 WeakPolarHBondContact O-CA 3.15Å; L211-I238 HydrophobicContact CG-CG1 4.48Å; I238-L245 HydrophobicContact CG2-CB 4.34Å; I238-L245 HydrophobicContact CG2-CD1 4.4Å; I238-L245 PolarHBondContact O-N 2.9Å; I238-G246 PolarHBondContact N-O 3.11Å; I238-Y248 HydrophobicContact CD1-CD1 4.37Å; I238-Y248 HydrophobicContact CD1-CG 4.45Å; I238-Y248 HydrophobicContact CG1-CD1 3.73Å; I238-Y248 HydrophobicContact CG1-CG 4.29Å; I238-I273 HydrophobicContact CD1-CB 4.2Å; I238-I273 HydrophobicContact CD1-CD1 3.81Å; I238-I273 HydrophobicContact CD1-CG1 3.72Å; I238-I273 HydrophobicContact CD1-CG2 3.58Å
239H93.3Very high92.3Very high50 Ų5034.1 Ų34.123%0.23118%0.18CC..EExtended strand (participates in β ladder)trans-121.9151.7178.4-66.7-119.7000110.4L210 T237 V243L210-H239 HydrophobicContact CB-CB 4.21Å; L210-H239 PolarHBondContact N-O 3.13Å; L210-H239 PolarHBondContact O-N 2.94Å; T237-H239 VanDerWaalsContact CB-NE2 3.32Å; T237-H239 WeakPolarHBondContact CB-NE2 3.25Å; T237-H239 PolarHBondContact OG1-CD2 3.24Å; T237-H239 VanDerWaalsContact OG1-CD2 3.25Å; T237-H239 PolarHBondContact OG1-NE2 3.1Å; H239-V243 CarbonylContact C-O 3.53Å; H239-V243 VanDerWaalsContact CA-O 3.25Å; H239-V243 WeakPolarHBondContact CA-O 3.34Å
240R93.6Very high92.9Very high107 Ų10733.1 Ų33.140%0.40418%0.175SC..EExtended strand (participates in β ladder)trans-127.7118161.1178.4-176.9-67.3153.2-0.4106.7E207 D242 V243 L245E207-R240 PolarHBondContact O-NE 3.37Å; E207-R240 PolarHBondContact O-NH2 2.93Å; E207-R240 VanDerWaalsContact O-NH2 3.16Å; R240-D242 PolarHBondContact O-N 3.03Å; R240-V243 PolarHBondContact N-O 3.1Å; R240-V243 PolarHBondContact O-N 2.8Å; R240-L245 HydrophobicContact CB-CD1 3.66Å; R240-L245 HydrophobicContact CB-CD2 4.46Å; R240-L245 HydrophobicContact CB-CG 4.15Å
241D87.6Confident93.2Very high83 Ų8333.6 Ų33.644%0.44418%0.178SC..THydrogen-bonded Turntrans51.6-125.6-169.3-51.1-50.8000109.8S157 V243S157-D241 WeakPolarHBondContact CB-OD1 3.32Å; S157-D241 PolarHBondContact OG-OD1 3.1Å; D241-V243 VanDerWaalsContact C-N 3.34Å
242D85.7Confident93.5Very high167 Ų16733.6 Ų33.689%0.89318%0.178SC*.THydrogen-bonded Turntrans-89.65.3-179.4-60.5-44.7000113.9R240R240-D242 PolarHBondContact O-N 3.03Å
243V90.6Very high93.4Very high88 Ų8833.6 Ų33.653%0.53318%0.178SC..EExtended strand (participates in β ladder)trans-104.3123.8-175.5-1760000110.7H239 R240 D241 L245H239-V243 CarbonylContact C-O 3.53Å; H239-V243 VanDerWaalsContact CA-O 3.25Å; H239-V243 WeakPolarHBondContact CA-O 3.34Å; R240-V243 PolarHBondContact N-O 3.1Å; R240-V243 PolarHBondContact O-N 2.8Å; D241-V243 VanDerWaalsContact C-N 3.34Å; V243-L245 HydrophobicContact CG1-CD2 4.19Å
244C91.4Very high93.4Very high39 Ų3933.6 Ų33.626%0.26418%0.178SC..EExtended strand (participates in β ladder)trans-73123.6168-174.70000109.2Q276C244-Q276 PolarHBondContact O-NE2 3.29Å
245L91.4Very high92.9Very high57 Ų5736.1 Ų36.130%0.29819%0.191SC..EExtended strand (participates in β ladder)trans-95.3-17179.7-60.2-176.9000112.7L209 I238 R240 V243 G275 Q276L209-L245 HydrophobicContact CD2-CD1 3.8Å; I238-L245 HydrophobicContact CG2-CB 4.34Å; I238-L245 HydrophobicContact CG2-CD1 4.4Å; I238-L245 PolarHBondContact O-N 2.9Å; R240-L245 HydrophobicContact CB-CD1 3.66Å; R240-L245 HydrophobicContact CB-CD2 4.46Å; R240-L245 HydrophobicContact CB-CG 4.15Å; V243-L245 HydrophobicContact CG1-CD2 4.19Å; L245-G275 WeakPolarHBondContact O-CA 3.39Å; L245-Q276 PolarHBondContact O-N 3.49Å
246G91.7Very high92.2Very high2 Ų242.2 Ų42.22%0.02121%0.213CC..EExtended strand (participates in β ladder)trans151.2-157.9-179.800000112.9T237 I238 K274T237-G246 WeakPolarHBondContact CA-O 3.39Å; I238-G246 PolarHBondContact N-O 3.11Å; G246-K274 WeakPolarHBondContact CA-O 2.97Å
247V93.1Very high91Very high36 Ų3642.5 Ų42.522%0.21822%0.215CC..EExtended strand (participates in β ladder)trans-120.4157.4-177.1-55.40000111.4G236 T237 K274 L279 P288G236-V247 CarbonylContact O-C 3.56Å; G236-V247 VanDerWaalsContact O-CA 3.27Å; G236-V247 WeakPolarHBondContact O-CA 3.15Å; G236-V247 WeakPolarHBondContact O-CB 3.26Å; T237-V247 HydrophobicContact CG2-CG1 4.49Å; V247-K274 HydrophobicContact CG2-CB 4.16Å; V247-K274 PolarHBondContact N-O 3.31Å; V247-K274 PolarHBondContact O-N 3.12Å; V247-L279 HydrophobicContact CG1-CD1 4.14Å; V247-L279 HydrophobicContact CG1-CD2 4.49Å; V247-L279 HydrophobicContact CG2-CD1 4.13Å; V247-L279 HydrophobicContact CG2-CD2 3.73Å; V247-L279 HydrophobicContact CG2-CG 4.48Å; V247-P288 HydrophobicContact CG1-CB 4.3Å
248Y94Very high89.1Confident2 Ų245.8 Ų45.81%0.00824%0.237CC..EExtended strand (participates in β ladder)trans-133.7157.4173.875.5-83.8000112F148 L211 P213 A235 G236 T237 I238 Q250 L271 K272F148-Y248 AromaticContact CE1-CE2 3.95Å; F148-Y248 HydrophobicContact CE1-CE2 3.95Å; F148-Y248 AromaticContact CE1-CZ 3.84Å; F148-Y248 WeakPolarHBondContact CE1-OH 3.39Å; F148-Y248 AromaticContact CZ-CE2 3.85Å; F148-Y248 HydrophobicContact CZ-CE2 3.85Å; F148-Y248 AromaticContact CZ-CZ 3.96Å; F148-Y248 VanDerWaalsContact CZ-OH 3.23Å; F148-Y248 WeakPolarHBondContact CZ-OH 3.38Å; L211-Y248 HydrophobicContact CB-CE1 3.97Å; L211-Y248 HydrophobicContact CD2-CD1 4.45Å; L211-Y248 HydrophobicContact CD2-CD2 4.32Å; L211-Y248 HydrophobicContact CD2-CE1 4.21Å; L211-Y248 HydrophobicContact CD2-CE2 4.1Å; L211-Y248 HydrophobicContact CD2-CG 4.48Å; L211-Y248 HydrophobicContact CG-CE1 4.28Å; P213-Y248 WeakPolarHBondContact CA-OH 3.4Å; A235-Y248 CarbonylContact C-O 3.56Å; A235-Y248 VanDerWaalsContact CA-O 3.25Å; A235-Y248 WeakPolarHBondContact CA-O 3.33Å; G236-Y248 PolarHBondContact N-O 2.95Å; G236-Y248 WeakPolarHBondContact O-CD1 3.5Å; G236-Y248 PolarHBondContact O-N 3.33Å; T237-Y248 WeakPolarHBondContact O-CE1 3.17Å; I238-Y248 HydrophobicContact CD1-CD1 4.37Å; I238-Y248 HydrophobicContact CD1-CG 4.45Å; I238-Y248 HydrophobicContact CG1-CD1 3.73Å; I238-Y248 HydrophobicContact CG1-CG 4.29Å; Y248-Q250 HydrophobicContact CD2-CB 3.94Å; Y248-Q250 HydrophobicContact CE2-CB 3.92Å; Y248-L271 HydrophobicContact CD2-CD1 3.78Å; Y248-L271 HydrophobicContact CG-CD1 4.27Å; Y248-K272 CarbonylContact C-O 3.51Å; Y248-K272 WeakPolarHBondContact CA-O 3.47Å; Y248-K272 WeakPolarHBondContact CB-O 3.4Å
249E94.3Very high87Confident24 Ų2452.9 Ų52.911%0.11227%0.274CS..EExtended strand (participates in β ladder)trans-124.3130.9164.2-61.4179.213600108.1V234 A235 K272 L290 T291V234-E249 CarbonylContact O-C 3.59Å; V234-E249 WeakPolarHBondContact O-CA 3.39Å; A235-E249 HydrophobicContact CB-CG 4.5Å; E249-K272 HydrophobicContact CB-CB 4.5Å; E249-K272 PolarHBondContact N-O 3.49Å; E249-K272 PolarHBondContact O-N 2.96Å; E249-L290 HydrophobicContact CB-CD2 4.5Å; E249-L290 HydrophobicContact CG-CD2 4.41Å; E249-T291 WeakPolarHBondContact OE1-CA 3.43Å; E249-T291 VanDerWaalsContact OE1-CB 3.29Å; E249-T291 WeakPolarHBondContact OE1-CB 3.42Å; E249-T291 PolarHBondContact OE1-N 2.95Å; E249-T291 PolarHBondContact OE1-OG1 2.65Å; E249-T291 PolarHBondContact OE2-OG1 3.29Å; E249-T291 VanDerWaalsContact OE2-OG1 3.08Å
250Q96.4Very high85.1Confident0 Ų055.4 Ų55.40%029%0.286CS..EExtended strand (participates in β ladder)trans-128.4129179.3-160.8167.513.700110.5F148 A233 V234 Y248 F252 V269 N270 L271F148-Q250 VanDerWaalsContact CE1-OE1 3.27Å; F148-Q250 VanDerWaalsContact CZ-OE1 3.25Å; A233-Q250 CarbonylContact C-O 3.59Å; A233-Q250 WeakPolarHBondContact CA-O 3.33Å; V234-Q250 HydrophobicContact CG1-CB 4.05Å; V234-Q250 PolarHBondContact N-O 2.9Å; V234-Q250 PolarHBondContact O-N 3.44Å; Y248-Q250 HydrophobicContact CD2-CB 3.94Å; Y248-Q250 HydrophobicContact CE2-CB 3.92Å; Q250-F252 HydrophobicContact CB-CE2 3.97Å; Q250-F252 HydrophobicContact CB-CZ 4.38Å; Q250-F252 HydrophobicContact CG-CD2 4.23Å; Q250-F252 HydrophobicContact CG-CE1 4.22Å; Q250-F252 HydrophobicContact CG-CE2 3.53Å; Q250-F252 HydrophobicContact CG-CZ 3.54Å; Q250-F252 VanDerWaalsContact NE2-CZ 3.34Å; Q250-V269 HydrophobicContact CG-CG1 3.97Å; Q250-N270 CarbonylContact C-O 3.56Å; Q250-N270 VanDerWaalsContact CA-O 3.25Å; Q250-N270 WeakPolarHBondContact CA-O 3.47Å; Q250-L271 HydrophobicContact CB-CD1 4.03Å; Q250-L271 HydrophobicContact CG-CB 4.31Å; Q250-L271 HydrophobicContact CG-CD1 4.05Å
251V96.2Very high83Confident14 Ų1459.8 Ų59.89%0.08531%0.311CS..EExtended strand (participates in β ladder)trans-115.6124.7176.1-173.60000109V232 A233 F268 V269 N270 L297 L300V232-V251 CarbonylContact O-C 3.56Å; V232-V251 WeakPolarHBondContact O-CA 3.12Å; A233-V251 HydrophobicContact CB-CG2 4.06Å; V251-F268 HydrophobicContact CG1-CE2 4.31Å; V251-V269 CarbonylContact O-C 3.58Å; V251-V269 WeakPolarHBondContact O-CA 3.47Å; V251-N270 HydrophobicContact CB-CB 4.32Å; V251-N270 PolarHBondContact N-O 2.99Å; V251-N270 PolarHBondContact O-N 3.36Å; V251-L297 HydrophobicContact CG1-CD2 3.83Å; V251-L297 HydrophobicContact CG2-CD2 3.82Å; V251-L300 HydrophobicContact CB-CD1 4.5Å; V251-L300 HydrophobicContact CG1-CD1 3.91Å
252F96.8Very high81.3Confident0 Ų060.7 Ų60.70%032%0.316CS..EExtended strand (participates in β ladder)trans-109.3135.7176.1-59.2-91.7000109.9F143 F147 F148 L231 V232 V234 Q250 L254 I266 F268 V269F143-F252 HydrophobicContact CE1-CB 4.01Å; F143-F252 AromaticContact CE1-CD1 3.91Å; F143-F252 HydrophobicContact CE1-CD1 3.91Å; F143-F252 AromaticContact CE1-CD2 3.67Å; F143-F252 HydrophobicContact CE1-CD2 3.67Å; F143-F252 HydrophobicContact CE1-CE1 4.24Å; F143-F252 HydrophobicContact CE1-CE2 4.01Å; F143-F252 AromaticContact CE1-CG 3.59Å; F143-F252 HydrophobicContact CE1-CG 3.59Å; F143-F252 HydrophobicContact CE1-CZ 4.26Å; F143-F252 HydrophobicContact CZ-CB 4.19Å; F143-F252 AromaticContact CZ-CD1 3.71Å; F143-F252 HydrophobicContact CZ-CD1 3.71Å; F143-F252 HydrophobicContact CZ-CD2 4.33Å; F143-F252 HydrophobicContact CZ-CE1 4.08Å; F143-F252 AromaticContact CZ-CG 3.83Å; F143-F252 HydrophobicContact CZ-CG 3.83Å; F147-F252 HydrophobicContact CD1-CE1 4.15Å; F147-F252 AromaticContact CD1-CZ 3.73Å; F147-F252 HydrophobicContact CD1-CZ 3.73Å; F147-F252 HydrophobicContact CD2-CE1 4.26Å; F147-F252 AromaticContact CE1-CE1 3.81Å; F147-F252 HydrophobicContact CE1-CE1 3.81Å; F147-F252 AromaticContact CE1-CZ 3.55Å; F147-F252 HydrophobicContact CE1-CZ 3.55Å; F147-F252 AromaticContact CE2-CE1 3.91Å; F147-F252 HydrophobicContact CE2-CE1 3.91Å; F147-F252 HydrophobicContact CE2-CZ 4.45Å; F147-F252 HydrophobicContact CG-CE1 4.37Å; F147-F252 HydrophobicContact CG-CZ 4.29Å; F147-F252 AromaticContact CZ-CE1 3.68Å; F147-F252 HydrophobicContact CZ-CE1 3.68Å; F147-F252 AromaticContact CZ-CZ 3.94Å; F147-F252 HydrophobicContact CZ-CZ 3.94Å; F148-F252 HydrophobicContact CZ-CE2 4.2Å; F148-F252 HydrophobicContact CZ-CZ 4.23Å; L231-F252 CarbonylContact C-O 3.51Å; L231-F252 VanDerWaalsContact CA-O 3.3Å; L231-F252 WeakPolarHBondContact CA-O 3.48Å; V232-F252 HydrophobicContact CB-CB 4.41Å; V232-F252 PolarHBondContact N-O 2.84Å; V232-F252 PolarHBondContact O-N 2.8Å; V234-F252 HydrophobicContact CG1-CE2 3.98Å; Q250-F252 HydrophobicContact CB-CE2 3.97Å; Q250-F252 HydrophobicContact CB-CZ 4.38Å; Q250-F252 HydrophobicContact CG-CD2 4.23Å; Q250-F252 HydrophobicContact CG-CE1 4.22Å; Q250-F252 HydrophobicContact CG-CE2 3.53Å; Q250-F252 HydrophobicContact CG-CZ 3.54Å; Q250-F252 VanDerWaalsContact NE2-CZ 3.34Å; F252-L254 HydrophobicContact CB-CD2 4.07Å; F252-L254 HydrophobicContact CB-CG 4.43Å; F252-I266 HydrophobicContact CD1-CG2 4.33Å; F252-F268 WeakPolarHBondContact CA-O 3.25Å; F252-V269 HydrophobicContact CD1-CG1 4.21Å; F252-V269 HydrophobicContact CD1-CG2 3.9Å; F252-V269 HydrophobicContact CE1-CG1 3.98Å; F252-V269 HydrophobicContact CE1-CG2 4.11Å
253G94.6Very high80.6Confident0 Ų054.1 Ų54.10%028%0.283CS..EExtended strand (participates in β ladder)trans-96.1119.3161.200000109.6K267 F268G253-K267 WeakPolarHBondContact O-CB 3.49Å; G253-K267 PolarHBondContact O-N 2.98Å; G253-F268 PolarHBondContact N-O 3.39Å
254L93.1Very high80.3Confident0 Ų052.4 Ų52.40%027%0.267CS..EExtended strand (participates in β ladder)trans-110.4130.8179.7-52.3-179.1000109.9L139 F143 L229 V230 V232 F252 W264 I266L139-L254 HydrophobicContact CD2-CD1 4.11Å; F143-L254 HydrophobicContact CB-CD1 4.18Å; F143-L254 HydrophobicContact CD1-CD1 3.94Å; F143-L254 HydrophobicContact CD2-CD1 3.69Å; F143-L254 HydrophobicContact CD2-CD2 3.93Å; F143-L254 HydrophobicContact CD2-CG 4.49Å; F143-L254 HydrophobicContact CE1-CD1 4.31Å; F143-L254 HydrophobicContact CE1-CD2 4.17Å; F143-L254 HydrophobicContact CE2-CD1 4.05Å; F143-L254 HydrophobicContact CE2-CD2 3.41Å; F143-L254 VanDerWaalsContact CE2-CD2 3.41Å; F143-L254 HydrophobicContact CE2-CG 4.38Å; F143-L254 HydrophobicContact CG-CD1 3.63Å; F143-L254 HydrophobicContact CG-CD2 4.49Å; F143-L254 HydrophobicContact CZ-CD1 4.37Å; F143-L254 HydrophobicContact CZ-CD2 3.57Å; L229-L254 WeakPolarHBondContact CA-O 3.46Å; V230-L254 HydrophobicContact CB-CB 4.39Å; V230-L254 PolarHBondContact N-O 2.99Å; V230-L254 WeakPolarHBondContact O-CB 3.43Å; V230-L254 PolarHBondContact O-N 2.91Å; V232-L254 HydrophobicContact CG2-CD1 3.64Å; V232-L254 HydrophobicContact CG2-CG 4.34Å; F252-L254 HydrophobicContact CB-CD2 4.07Å; F252-L254 HydrophobicContact CB-CG 4.43Å; L254-W264 HydrophobicContact CB-CE3 3.78Å; L254-W264 HydrophobicContact CB-CZ3 4.39Å; L254-I266 HydrophobicContact CD2-CG1 3.89Å
255I87.2Confident80.3Confident53 Ų5352.4 Ų52.427%0.27226%0.263SS..EExtended strand (participates in β ladder)trans-124.7131.9172.2-60.2176.1000107.5W171 L229 S257 K265 K267W171-I255 HydrophobicContact CZ2-CG2 4.13Å; L229-I255 HydrophobicContact CB-CG1 4.43Å; L229-I255 HydrophobicContact CD1-CD1 4.16Å; L229-I255 HydrophobicContact CD1-CG1 3.65Å; I255-S257 PolarHBondContact O-N 3.49Å; I255-K265 PolarHBondContact N-O 2.96Å; I255-K265 PolarHBondContact O-N 3.31Å; I255-K267 HydrophobicContact CD1-CB 3.86Å; I255-K267 HydrophobicContact CD1-CD 3.98Å; I255-K267 HydrophobicContact CD1-CG 3.69Å; I255-K267 HydrophobicContact CG1-CB 4.07Å; I255-K267 HydrophobicContact CG1-CG 4.43Å
256R81.4Confident80.4Confident129 Ų12949.7 Ų49.749%0.48725%0.249SC..EExtended strand (participates in β ladder)trans-64.1128.5176.4-168.9177.5-176.4179.85.3110N262 W264R256-N262 PolarHBondContact NH2-OD1 3.48Å; R256-W264 HydrophobicContact CB-CD2 4.18Å; R256-W264 HydrophobicContact CB-CE3 4.14Å; R256-W264 HydrophobicContact CB-CH2 4.22Å; R256-W264 HydrophobicContact CB-CZ2 4.23Å; R256-W264 HydrophobicContact CB-CZ3 4.16Å
257S68.6Low80.5Confident6 Ų652.3 Ų52.34%0.04226%0.26CS..  trans-69130.3173.3-1750000109.7I255 L259 S263I255-S257 PolarHBondContact O-N 3.49Å; S257-L259 VanDerWaalsContact C-N 3.32Å; S257-L259 PolarHBondContact OG-N 3.36Å; S257-S263 WeakPolarHBondContact CB-O 3.36Å; S257-S263 VanDerWaalsContact CB-OG 3.28Å; S257-S263 WeakPolarHBondContact CB-OG 3.47Å; S257-S263 PolarHBondContact N-O 2.91Å
258P55.7Low80.5Confident99 Ų9951.9 Ų51.964%0.64326%0.255SS*.SBendtrans-80.3-15.5173.531-31.8000112.7
259L50.3Low80.7Confident154 Ų15451.8 Ų51.881%0.80625%0.254SS*.SBendtrans-89.6-25.5-172-60.3176.3000113.2S257S257-L259 VanDerWaalsContact C-N 3.32Å; S257-L259 PolarHBondContact OG-N 3.36Å
260E54Low80.7Confident103 Ų10351.6 Ų51.648%0.48125%0.254SS..SBendtrans-125.8129-175.2-78.6165.9-158.800108.9N262 S263E260-N262 PolarHBondContact O-N 2.93Å; E260-S263 WeakPolarHBondContact CB-OG 3.27Å; E260-S263 PolarHBondContact O-N 3.46Å; E260-S263 WeakPolarHBondContact OE2-CB 3.25Å; E260-S263 PolarHBondContact OE2-OG 3.48Å
261Q48.3Very low80.6Confident199 Ų19951.6 Ų51.693%0.9325%0.254SS*.THydrogen-bonded Turntrans-66.3111.9-170.8-148.7167.528.300110.2S263Q261-S263 PolarHBondContact O-N 2.85Å
262N52.7Low80.4Confident102 Ų10254.7 Ų54.755%0.54527%0.266SS..THydrogen-bonded Turntrans68.822.6177.5-15045.1000116.2R256 E260R256-N262 PolarHBondContact NH2-OD1 3.48Å; E260-N262 PolarHBondContact O-N 2.93Å
263S70.9Confident80.1Confident29 Ų2956 Ų5620%0.20327%0.273CS..  trans-89.4137.5170.674.20000111.9S257 E260 Q261S257-S263 WeakPolarHBondContact CB-O 3.36Å; S257-S263 VanDerWaalsContact CB-OG 3.28Å; S257-S263 WeakPolarHBondContact CB-OG 3.47Å; S257-S263 PolarHBondContact N-O 2.91Å; E260-S263 WeakPolarHBondContact CB-OG 3.27Å; E260-S263 PolarHBondContact O-N 3.46Å; E260-S263 WeakPolarHBondContact OE2-CB 3.25Å; E260-S263 PolarHBondContact OE2-OG 3.48Å; Q261-S263 PolarHBondContact O-N 2.85Å
264W84.2Confident79.9Confident53 Ų5358.6 Ų58.620%0.20128%0.284CS..EExtended strand (participates in β ladder)trans-106.1127.4174.1-71.483.1000108.3F134 L139 V230 L254 R256F134-W264 HydrophobicContact CE1-CZ2 4.26Å; F134-W264 AromaticContact CZ-CZ2 3.83Å; F134-W264 HydrophobicContact CZ-CZ2 3.83Å; L139-W264 HydrophobicContact CD1-CD2 3.86Å; L139-W264 HydrophobicContact CD1-CG 4.27Å; L139-W264 HydrophobicContact CD1-CH2 4.17Å; L139-W264 HydrophobicContact CD1-CZ2 3.43Å; L139-W264 VanDerWaalsContact CD1-CZ2 3.43Å; L139-W264 VanDerWaalsContact CD1-NE1 3.32Å; V230-W264 HydrophobicContact CB-CH2 4.41Å; V230-W264 HydrophobicContact CB-CZ3 3.96Å; V230-W264 HydrophobicContact CG2-CH2 3.53Å; V230-W264 HydrophobicContact CG2-CZ3 3.51Å; L254-W264 HydrophobicContact CB-CE3 3.78Å; L254-W264 HydrophobicContact CB-CZ3 4.39Å; R256-W264 HydrophobicContact CB-CD2 4.18Å; R256-W264 HydrophobicContact CB-CE3 4.14Å; R256-W264 HydrophobicContact CB-CH2 4.22Å; R256-W264 HydrophobicContact CB-CZ2 4.23Å; R256-W264 HydrophobicContact CB-CZ3 4.16Å
265K90.8Very high79.5Confident39 Ų3959.3 Ų59.317%0.1729%0.292CS..EExtended strand (participates in β ladder)trans-110.3146178-72.6-168.4177.4-1610110.9Q168 W171 I255 K267Q168-K265 VanDerWaalsContact O-CE 3.26Å; Q168-K265 WeakPolarHBondContact O-CE 3.33Å; Q168-K265 PolarHBondContact O-NZ 3.36Å; W171-K265 HydrophobicContact CD2-CB 4.32Å; W171-K265 HydrophobicContact CG-CB 4.17Å; I255-K265 PolarHBondContact N-O 2.96Å; I255-K265 PolarHBondContact O-N 3.31Å; K265-K267 PolarHBondContact O-N 3.06Å
266I95Very high79.1Confident0 Ų061 Ų610%030%0.299CS..EExtended strand (participates in β ladder)trans-80.4117.9-177.4-59.8166.1000109.1F143 F147 H169 F170 W171 V174 F252 L254 V269F143-I266 HydrophobicContact CE2-CD1 4.12Å; F143-I266 HydrophobicContact CE2-CG1 3.95Å; F143-I266 HydrophobicContact CZ-CD1 4.06Å; F143-I266 HydrophobicContact CZ-CG1 4.06Å; F147-I266 HydrophobicContact CD2-CD1 3.89Å; F147-I266 HydrophobicContact CE2-CD1 3.79Å; H169-I266 PolarHBondContact O-N 2.77Å; H169-I266 VanDerWaalsContact O-N 3.08Å; F170-I266 HydrophobicContact CD1-CB 3.64Å; F170-I266 HydrophobicContact CD1-CD1 3.94Å; F170-I266 HydrophobicContact CD1-CG1 4.36Å; F170-I266 HydrophobicContact CD1-CG2 3.83Å; F170-I266 HydrophobicContact CE1-CB 4.14Å; F170-I266 HydrophobicContact CE1-CD1 3.61Å; F170-I266 HydrophobicContact CE1-CG1 4.48Å; F170-I266 HydrophobicContact CE1-CG2 4.13Å; F170-I266 HydrophobicContact CG-CB 4.46Å; F170-I266 HydrophobicContact CZ-CD1 4.23Å; W171-I266 PolarHBondContact N-O 2.88Å; V174-I266 HydrophobicContact CG2-CG2 4.3Å; F252-I266 HydrophobicContact CD1-CG2 4.33Å; L254-I266 HydrophobicContact CD2-CG1 3.89Å; I266-V269 HydrophobicContact CG2-CG2 3.43Å; I266-V269 VanDerWaalsContact CG2-CG2 3.43Å
267K92.9Very high78.5Confident57 Ų5763.2 Ų63.225%0.24832%0.32CS..EExtended strand (participates in β ladder)trans-89.8-32.6178.7-178.161.7179.3-165.50112.9W171 D173 V174 L229 G253 I255 K265W171-K267 HydrophobicContact CB-CD 4.23Å; W171-K267 HydrophobicContact CG-CD 4.26Å; D173-K267 IonicContact OD1-NZ 2.7Å; D173-K267 PolarHBondContact OD1-NZ 2.92Å; D173-K267 IonicContact OD2-NZ 3.31Å; D173-K267 PolarHBondContact OD2-NZ 3.28Å; V174-K267 WeakPolarHBondContact CA-O 3.44Å; L229-K267 HydrophobicContact CD1-CB 4.46Å; G253-K267 WeakPolarHBondContact O-CB 3.49Å; G253-K267 PolarHBondContact O-N 2.98Å; I255-K267 HydrophobicContact CD1-CB 3.86Å; I255-K267 HydrophobicContact CD1-CD 3.98Å; I255-K267 HydrophobicContact CD1-CG 3.69Å; I255-K267 HydrophobicContact CG1-CB 4.07Å; I255-K267 HydrophobicContact CG1-CG 4.43Å; K265-K267 PolarHBondContact O-N 3.06Å
268F93.9Very high78.1Confident27 Ų2765.7 Ų65.712%0.11834%0.341CS..EExtended strand (participates in β ladder)trans-157.7160.1170.462.8-100000110.9R175 L229 L231 V251 F252 G253 L300R175-F268 CarbonylContact O-C 3.58Å; R175-F268 WeakPolarHBondContact O-CA 3.41Å; R175-F268 WeakPolarHBondContact O-CB 3.46Å; L229-F268 HydrophobicContact CD1-CE1 4.21Å; L229-F268 HydrophobicContact CD2-CE1 4.04Å; L231-F268 HydrophobicContact CD2-CE1 4.09Å; L231-F268 HydrophobicContact CD2-CE2 4.17Å; L231-F268 HydrophobicContact CD2-CZ 3.35Å; V251-F268 HydrophobicContact CG1-CE2 4.31Å; F252-F268 WeakPolarHBondContact CA-O 3.25Å; G253-F268 PolarHBondContact N-O 3.39Å; F268-L300 HydrophobicContact CE2-CB 4.42Å; F268-L300 HydrophobicContact CE2-CD1 4.46Å; F268-L300 HydrophobicContact CZ-CB 3.96Å
269V96.8Very high78.4Confident0 Ų062.3 Ų62.30%032%0.317CS..EExtended strand (participates in β ladder)trans-134.3125.7175.1-173.40000108.5R175 L176 R177 Q250 V251 F252 I266R175-V269 PolarHBondContact O-N 3.4Å; L176-V269 CarbonylContact C-O 3.6Å; L176-V269 VanDerWaalsContact CA-O 3.27Å; L176-V269 WeakPolarHBondContact CA-O 3.42Å; L176-V269 HydrophobicContact CD1-CB 3.74Å; L176-V269 HydrophobicContact CD1-CG1 3.72Å; R177-V269 PolarHBondContact N-O 2.96Å; Q250-V269 HydrophobicContact CG-CG1 3.97Å; V251-V269 CarbonylContact O-C 3.58Å; V251-V269 WeakPolarHBondContact O-CA 3.47Å; F252-V269 HydrophobicContact CD1-CG1 4.21Å; F252-V269 HydrophobicContact CD1-CG2 3.9Å; F252-V269 HydrophobicContact CE1-CG1 3.98Å; F252-V269 HydrophobicContact CE1-CG2 4.11Å; I266-V269 HydrophobicContact CG2-CG2 3.43Å; I266-V269 VanDerWaalsContact CG2-CG2 3.43Å
270N94.6Very high78.7Confident19 Ų1957.8 Ų57.810%0.10231%0.308CS..EExtended strand (participates in β ladder)trans-113118.8166.3-64.4-10.7000107.5R177 Q250 V251R177-N270 VanDerWaalsContact CZ-OD1 3.25Å; R177-N270 PolarHBondContact NE-OD1 3.49Å; R177-N270 PolarHBondContact NH2-ND2 2.78Å; R177-N270 PolarHBondContact NH2-OD1 3.27Å; R177-N270 CarbonylContact O-C 3.54Å; R177-N270 WeakPolarHBondContact O-CA 3.4Å; Q250-N270 CarbonylContact C-O 3.56Å; Q250-N270 VanDerWaalsContact CA-O 3.25Å; Q250-N270 WeakPolarHBondContact CA-O 3.47Å; V251-N270 HydrophobicContact CB-CB 4.32Å; V251-N270 PolarHBondContact N-O 2.99Å; V251-N270 PolarHBondContact O-N 3.36Å
271L94.8Very high78.4Confident1 Ų156.5 Ų56.51%0.00532%0.323CS..EExtended strand (participates in β ladder)trans-116.6122.8178.5175.759.5000109.1R177 L178 F179 L203 Y248 Q250 I273R177-L271 PolarHBondContact O-N 2.84Å; L178-L271 CarbonylContact C-O 3.52Å; L178-L271 WeakPolarHBondContact CA-O 3.45Å; L178-L271 HydrophobicContact CD1-CD2 4.44Å; F179-L271 PolarHBondContact N-O 3.37Å; L203-L271 HydrophobicContact CD1-CD2 3.73Å; Y248-L271 HydrophobicContact CD2-CD1 3.78Å; Y248-L271 HydrophobicContact CG-CD1 4.27Å; Q250-L271 HydrophobicContact CB-CD1 4.03Å; Q250-L271 HydrophobicContact CG-CB 4.31Å; Q250-L271 HydrophobicContact CG-CD1 4.05Å; L271-I273 HydrophobicContact CD1-CG1 4.2Å; L271-I273 HydrophobicContact CD2-CD1 4.05Å; L271-I273 HydrophobicContact CD2-CG1 4.4Å; L271-I273 HydrophobicContact CG-CD1 4.21Å; L271-I273 HydrophobicContact CG-CG1 4.02Å
272K92.6Very high78.5Confident79 Ų7951.7 Ų51.734%0.34332%0.317SS..EExtended strand (participates in β ladder)trans-116125.2175.6-176178.7-178.6-1770109.2F179 Y248 E249F179-K272 HydrophobicContact CB-CB 4.26Å; F179-K272 HydrophobicContact CB-CG 4.13Å; F179-K272 CarbonylContact O-C 3.38Å; F179-K272 WeakPolarHBondContact O-CA 3.38Å; Y248-K272 CarbonylContact C-O 3.51Å; Y248-K272 WeakPolarHBondContact CA-O 3.47Å; Y248-K272 WeakPolarHBondContact CB-O 3.4Å; E249-K272 HydrophobicContact CB-CB 4.5Å; E249-K272 PolarHBondContact N-O 3.49Å; E249-K272 PolarHBondContact O-N 2.96Å
273I90.9Very high78.4Confident26 Ų2652.2 Ų52.213%0.13332%0.316CS..EExtended strand (participates in β ladder)trans-117.7131-177.1-60.4177.7000109.5F179 S181 I238 L271F179-I273 PolarHBondContact O-N 3.09Å; S181-I273 PolarHBondContact N-O 2.83Å; S181-I273 VanDerWaalsContact N-O 3.09Å; I238-I273 HydrophobicContact CD1-CB 4.2Å; I238-I273 HydrophobicContact CD1-CD1 3.81Å; I238-I273 HydrophobicContact CD1-CG1 3.72Å; I238-I273 HydrophobicContact CD1-CG2 3.58Å; L271-I273 HydrophobicContact CD1-CG1 4.2Å; L271-I273 HydrophobicContact CD2-CD1 4.05Å; L271-I273 HydrophobicContact CD2-CG1 4.4Å; L271-I273 HydrophobicContact CG-CD1 4.21Å; L271-I273 HydrophobicContact CG-CG1 4.02Å
274K89.1Confident77.3Confident55 Ų5558.3 Ų58.324%0.23934%0.341CS..EExtended strand (participates in β ladder)trans-122.5120.7172.2-61.5-179.2-174.51740109G246 V247G246-K274 WeakPolarHBondContact CA-O 2.97Å; V247-K274 HydrophobicContact CG2-CB 4.16Å; V247-K274 PolarHBondContact N-O 3.31Å; V247-K274 PolarHBondContact O-N 3.12Å
275G85.4Confident75.8Confident16 Ų1664.2 Ų64.217%0.16538%0.376CS..EExtended strand (participates in β ladder)trans-75.2165.7173.800000112.2L245 D277 A278 L279L245-G275 WeakPolarHBondContact O-CA 3.39Å; G275-D277 VanDerWaalsContact C-N 3.27Å; G275-D277 PolarHBondContact O-N 3.05Å; G275-A278 PolarHBondContact O-N 3.29Å; G275-L279 PolarHBondContact O-N 3.28Å
276Q77.4Confident74.5Confident88 Ų8865.6 Ų65.641%0.41140%0.395SS..G310 helixtrans-53-39.9176.9-77.2-173.7-19.300113.8C244 L245 A278 L279C244-Q276 PolarHBondContact O-NE2 3.29Å; L245-Q276 PolarHBondContact O-N 3.49Å; Q276-A278 PolarHBondContact O-N 2.98Å; Q276-A278 VanDerWaalsContact O-N 3.1Å; Q276-L279 WeakPolarHBondContact O-CB 3.29Å; Q276-L279 PolarHBondContact O-N 3.4Å
277D68.9Low73.5Confident176 Ų17669.9 Ų69.994%0.94143%0.425SS*.G310 helixtrans-62.6-22.4180-57.8-40.6000113.5G275G275-D277 VanDerWaalsContact C-N 3.27Å; G275-D277 PolarHBondContact O-N 3.05Å
278A61.8Low73Confident58 Ų5868.4 Ų68.448%0.47942%0.421SS..G310 helixtrans-93.8-10.1177.100000113.2G275 Q276G275-A278 PolarHBondContact O-N 3.29Å; Q276-A278 PolarHBondContact O-N 2.98Å; Q276-A278 VanDerWaalsContact O-N 3.1Å
279L61.3Low72.4Confident27 Ų2769.3 Ų69.314%0.14143%0.433CS..SBendtrans-93.592.5176.1-67.7158.6000106.5V247 G275 Q276 G281 E283V247-L279 HydrophobicContact CG1-CD1 4.14Å; V247-L279 HydrophobicContact CG1-CD2 4.49Å; V247-L279 HydrophobicContact CG2-CD1 4.13Å; V247-L279 HydrophobicContact CG2-CD2 3.73Å; V247-L279 HydrophobicContact CG2-CG 4.48Å; G275-L279 PolarHBondContact O-N 3.28Å; Q276-L279 WeakPolarHBondContact O-CB 3.29Å; Q276-L279 PolarHBondContact O-N 3.4Å; L279-G281 PolarHBondContact O-N 2.87Å; L279-E283 HydrophobicContact CD2-CB 4.45Å; L279-E283 WeakPolarHBondContact CD2-OE2 3.4Å
280G56Low71.7Confident60 Ų6070 Ų7062%0.61944%0.437SS*.  trans-48.7130.9176.500000109.6A282 E283G280-A282 PolarHBondContact O-N 2.97Å; G280-E283 PolarHBondContact O-N 2.78Å
281G48.6Very low71.1Confident76 Ų7673.3 Ų73.378%0.78446%0.457SS*.THydrogen-bonded Turntrans-56.918.2-158.300000120L279L279-G281 PolarHBondContact O-N 2.87Å
282A49Very low69.6Low97 Ų9774 Ų7480%0.80246%0.463SS*.THydrogen-bonded Turntrans-97.1-11.9171.300000114.2G280G280-A282 PolarHBondContact O-N 2.97Å
283E51Low68.5Low113 Ų11372.3 Ų72.353%0.52846%0.46SS..  trans-91.1-1.6-177.5-78.9-172.3154.400114.9L279 G280 L285 A286L279-E283 HydrophobicContact CD2-CB 4.45Å; L279-E283 WeakPolarHBondContact CD2-OE2 3.4Å; G280-E283 PolarHBondContact O-N 2.78Å; E283-L285 PolarHBondContact O-N 2.89Å; E283-A286 PolarHBondContact O-N 3.01Å
284E49.2Very low67.2Low157 Ų15774 Ų7473%0.73448%0.475SS*.THydrogen-bonded Turntrans-61.8-15.2-176.8-113-178.3165.600114.8
285L51.8Low65.6Low178 Ų17874.8 Ų74.893%0.93249%0.487SS*.THydrogen-bonded Turntrans-117.5-1.2-175.9-75162.4000114.5E283E283-L285 PolarHBondContact O-N 2.89Å
286A63Low64.9Low68 Ų6879.2 Ų79.256%0.56250%0.503SS*.SBendtrans-96.4135.6-178.200000111.4E283E283-A286 PolarHBondContact O-N 3.01Å
287S73.9Confident64.3Low90 Ų9075.2 Ų75.263%0.62949%0.485SS*.PPolyproline II helixtrans-57.7132.6171.9-59.40000110A289S287-A289 PolarHBondContact O-N 3.04Å
288P82.5Confident64.1Low26 Ų2672.1 Ų72.117%0.16947%0.465CS..PPolyproline II helixtrans-60.2127.8-175.623.5-33.3000110.2N214 A235 T237 V247N214-P288 HydrophobicContact CB-CG 4Å; N214-P288 PolarHBondContact ND2-O 3Å; A235-P288 HydrophobicContact CB-CB 4.27Å; T237-P288 HydrophobicContact CG2-CG 4.05Å; V247-P288 HydrophobicContact CG1-CB 4.3Å
289A82.4Confident64.4Low45 Ų4574.4 Ų74.437%0.37247%0.468SS..  trans-123.1149.8-173.500000110.7P218 S287 T291P218-A289 HydrophobicContact CB-CB 4.13Å; P218-A289 HydrophobicContact CG-CB 3.61Å; S287-A289 PolarHBondContact O-N 3.04Å; A289-T291 PolarHBondContact O-N 3.31Å
290L82.3Confident64.7Low15 Ų1575.1 Ų75.18%0.07947%0.472CS..  trans-73.8116.3176.3-70.9165.4000111.1P218 G219 K221 A233 A235 E249P218-L290 PolarHBondContact O-N 3.1Å; G219-L290 WeakPolarHBondContact O-CD1 3.44Å; K221-L290 HydrophobicContact CB-CD1 3.73Å; K221-L290 HydrophobicContact CD-CB 4.36Å; K221-L290 HydrophobicContact CD-CD1 3.84Å; K221-L290 HydrophobicContact CG-CD1 3.65Å; A233-L290 HydrophobicContact CB-CD1 3.94Å; A233-L290 HydrophobicContact CB-CD2 4.08Å; A233-L290 WeakPolarHBondContact O-CD1 3.48Å; A235-L290 HydrophobicContact CB-CD2 4Å; A235-L290 HydrophobicContact CB-CG 4.04Å; E249-L290 HydrophobicContact CB-CD2 4.5Å; E249-L290 HydrophobicContact CG-CD2 4.41Å
291T80.3Confident64.7Low88 Ų8873.6 Ų73.654%0.5445%0.452SS..  trans-77.7-21169.7680000112.5E249 A289 S293E249-T291 WeakPolarHBondContact OE1-CA 3.43Å; E249-T291 VanDerWaalsContact OE1-CB 3.29Å; E249-T291 WeakPolarHBondContact OE1-CB 3.42Å; E249-T291 PolarHBondContact OE1-N 2.95Å; E249-T291 PolarHBondContact OE1-OG1 2.65Å; E249-T291 PolarHBondContact OE2-OG1 3.29Å; E249-T291 VanDerWaalsContact OE2-OG1 3.08Å; A289-T291 PolarHBondContact O-N 3.31Å; T291-S293 PolarHBondContact O-N 3.03Å
292C64.9Low64.8Low17 Ų1782.6 Ų82.612%0.11546%0.462CS..  trans-66.7130.7177.866.50000112.3K221K221-C292 PolarHBondContact NZ-O 3.29Å; K221-C292 VanDerWaalsContact NZ-O 3.09Å
293S67.7Low65.6Low42 Ų4281.9 Ų81.929%0.29445%0.445SS..  trans-75.9156.9173.866.10000111.7T291 S295 E296 L297T291-S293 PolarHBondContact O-N 3.03Å; S293-S295 PolarHBondContact O-N 2.94Å; S293-S295 PolarHBondContact OG-OG 3.25Å; S293-E296 WeakPolarHBondContact CB-OE2 3.32Å; S293-E296 PolarHBondContact N-OE2 3.42Å; S293-E296 PolarHBondContact O-N 2.78Å; S293-E296 VanDerWaalsContact OG-CD 3.29Å; S293-E296 VanDerWaalsContact OG-CG 3.25Å; S293-E296 WeakPolarHBondContact OG-CG 3.49Å; S293-E296 PolarHBondContact OG-N 2.83Å; S293-E296 PolarHBondContact OG-OE2 2.95Å; S293-L297 PolarHBondContact O-N 2.83Å
294S64.3Low66.4Low62 Ų6280.2 Ų80.243%0.43444%0.441SS..Hα-helixtrans-59.7-35.1175.3-167.60000111.7L297 Q298S294-L297 PolarHBondContact O-N 3.44Å; S294-Q298 VanDerWaalsContact O-CG 3.32Å; S294-Q298 WeakPolarHBondContact O-CG 3.34Å; S294-Q298 PolarHBondContact O-N 3.4Å
295S56.3Low67.3Low72 Ų7275.9 Ų75.950%0.50342%0.424SS..Hα-helixtrans-63.7-40.2176.337.60000113.6S293 Q298 L299S293-S295 PolarHBondContact O-N 2.94Å; S293-S295 PolarHBondContact OG-OG 3.25Å; S295-Q298 PolarHBondContact O-N 3.24Å; S295-L299 PolarHBondContact O-N 3.37Å
296E70.8Confident68.2Low108 Ų10869.9 Ų69.951%0.50539%0.394SS..Hα-helixtrans-68.4-38.9176.8-73.3163.6133.300111.3S293 L299S293-E296 WeakPolarHBondContact CB-OE2 3.32Å; S293-E296 PolarHBondContact N-OE2 3.42Å; S293-E296 PolarHBondContact O-N 2.78Å; S293-E296 VanDerWaalsContact OG-CD 3.29Å; S293-E296 VanDerWaalsContact OG-CG 3.25Å; S293-E296 WeakPolarHBondContact OG-CG 3.49Å; S293-E296 PolarHBondContact OG-N 2.83Å; S293-E296 PolarHBondContact OG-OE2 2.95Å; E296-L299 PolarHBondContact O-N 3.22Å
297L64.7Low68.5Low4 Ų470.1 Ų70.12%0.02138%0.384CS..Hα-helixtrans-66-40.8174.2-65.1175.3000111.2L223 L231 A233 V251 S293 S294 L299 L300L223-L297 HydrophobicContact CD1-CB 3.46Å; L223-L297 VanDerWaalsContact CD1-CB 3.46Å; L223-L297 HydrophobicContact CD1-CD1 4.09Å; L223-L297 HydrophobicContact CD1-CG 4.44Å; L231-L297 HydrophobicContact CD1-CB 4.17Å; L231-L297 WeakPolarHBondContact CD1-O 3.33Å; A233-L297 HydrophobicContact CB-CD1 3.96Å; A233-L297 HydrophobicContact CB-CD2 3.92Å; V251-L297 HydrophobicContact CG1-CD2 3.83Å; V251-L297 HydrophobicContact CG2-CD2 3.82Å; S293-L297 PolarHBondContact O-N 2.83Å; S294-L297 PolarHBondContact O-N 3.44Å; L297-L299 VanDerWaalsContact C-N 3.25Å; L297-L299 PolarHBondContact O-N 2.73Å; L297-L300 HydrophobicContact CD2-CD1 4.42Å; L297-L300 WeakPolarHBondContact O-CB 3.47Å; L297-L300 PolarHBondContact O-N 3.02Å
298Q63.8Low68.2Low112 Ų11268.7 Ų68.752%0.52337%0.368SS..Hα-helixtrans-61.3-30176.1-77.2178.9-10.500113.7L223 S294 S295 L300 C301L223-Q298 HydrophobicContact CD1-CG 4.23Å; S294-Q298 VanDerWaalsContact O-CG 3.32Å; S294-Q298 WeakPolarHBondContact O-CG 3.34Å; S294-Q298 PolarHBondContact O-N 3.4Å; S295-Q298 PolarHBondContact O-N 3.24Å; Q298-L300 PolarHBondContact O-N 3.24Å; Q298-C301 WeakPolarHBondContact O-CB 3.41Å; Q298-C301 PolarHBondContact O-N 2.63Å; Q298-C301 VanDerWaalsContact O-N 3.12Å
299L68.4Low67.2Low105 Ų10571.8 Ų71.855%0.5538%0.382SS..Hα-helixtrans-66-26.1173.9-71.3171.9000112.5S295 E296 L297 C301S295-L299 PolarHBondContact O-N 3.37Å; E296-L299 PolarHBondContact O-N 3.22Å; L297-L299 VanDerWaalsContact C-N 3.25Å; L297-L299 PolarHBondContact O-N 2.73Å; L299-C301 PolarHBondContact O-N 3.31Å
300L68.2Low66Low42 Ų4273.8 Ų73.822%0.2238%0.382CS..THydrogen-bonded Turntrans-79.4-7.5175.1-58.3172.1000112.9L231 V251 F268 L297 Q298L231-L300 HydrophobicContact CD1-CB 4.14Å; V251-L300 HydrophobicContact CB-CD1 4.5Å; V251-L300 HydrophobicContact CG1-CD1 3.91Å; F268-L300 HydrophobicContact CE2-CB 4.42Å; F268-L300 HydrophobicContact CE2-CD1 4.46Å; F268-L300 HydrophobicContact CZ-CB 3.96Å; L297-L300 HydrophobicContact CD2-CD1 4.42Å; L297-L300 WeakPolarHBondContact O-CB 3.47Å; L297-L300 PolarHBondContact O-N 3.02Å; Q298-L300 PolarHBondContact O-N 3.24Å
301C54.9Low64.6Low28 Ų2878.8 Ų78.819%0.18941%0.408CS..THydrogen-bonded Turntrans-87.8-4173.5-68.70000114L231 Q298 L299L231-C301 WeakPolarHBondContact CD1-SG 3.4Å; Q298-C301 WeakPolarHBondContact O-CB 3.41Å; Q298-C301 PolarHBondContact O-N 2.63Å; Q298-C301 VanDerWaalsContact O-N 3.12Å; L299-C301 PolarHBondContact O-N 3.31Å
302R51.3Low63.2Low265 Ų26577.9 Ų77.9100%140%0.396SS*.  trans-98.70-178.1-64.6-176.3178.8-178.80111.1

Retrieved 302 of 302 residues in 1067.5 ms (Link to these results)

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