G4VQD2_SCHMA Loading...

DnaJ homolog subfamily B member 13

Functions as part of axonemal radial spoke complexes that play an important part in the motility of sperm and cilia.

AlphaFold DB , UniProt , Accession G4VQD2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 335 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
1M60.3Low86.8Confident232 Ų23263.7 Ų63.7100%1.14335%0.353SS*.  0108.20-90.6-173.4174.900107.1
2G75.1Confident87.2Confident38 Ų3864.6 Ų64.639%0.39237%0.367SS..  trans-64.7159.1175.900000112.7E69G2-E69 WeakPolarHBondContact CA-OE2 3.43Å
3K84.6Confident87.2Confident62 Ų6271 Ų7127%0.2739%0.388SS..  trans-61.7137.7174.6-66.2179.5-173179.40110.8Y5 I8 E47 E50 Y64 E69K3-Y5 HydrophobicContact CB-CD1 4.4Å; K3-Y5 HydrophobicContact CB-CE1 4.18Å; K3-Y5 HydrophobicContact CD-CE1 4.43Å; K3-I8 HydrophobicContact CB-CD1 3.92Å; K3-I8 HydrophobicContact CD-CD1 4.3Å; K3-I8 HydrophobicContact CG-CD1 4.45Å; K3-E47 HydrophobicContact CD-CG 4.43Å; K3-E47 IonicContact NZ-OE1 2.62Å; K3-E50 IonicContact NZ-OE2 3.68Å; K3-E50 PolarHBondContact NZ-OE2 3.26Å; K3-Y64 PolarHBondContact O-OH 2.72Å; K3-E69 WeakPolarHBondContact CG-OE2 3.4Å; K3-E69 PolarHBondContact N-OE2 2.67Å
4D91.5Very high87.1Confident65 Ų6570.9 Ų70.935%0.34841%0.412SS..  trans-92.497.6170.9-173-19000109.6Y6 K7 I8 Y64D4-Y6 VanDerWaalsContact C-N 3.27Å; D4-Y6 PolarHBondContact O-N 3.27Å; D4-Y6 WeakPolarHBondContact OD1-CB 3.49Å; D4-Y6 PolarHBondContact OD1-N 3.17Å; D4-Y6 VanDerWaalsContact OD1-N 3.11Å; D4-K7 HydrophobicContact CB-CB 3.75Å; D4-K7 WeakPolarHBondContact O-CB 3.41Å; D4-K7 PolarHBondContact O-N 2.87Å; D4-K7 VanDerWaalsContact O-N 3.17Å; D4-K7 PolarHBondContact OD1-N 3.12Å; D4-K7 VanDerWaalsContact OD1-N 3.09Å; D4-I8 VanDerWaalsContact O-CG1 3.31Å; D4-I8 WeakPolarHBondContact O-CG1 3.25Å; D4-I8 PolarHBondContact O-N 3.28Å; D4-Y64 VanDerWaalsContact CA-OH 3.24Å; D4-Y64 WeakPolarHBondContact CA-OH 3.5Å
5Y92.3Very high87Confident1 Ų166.4 Ų66.40%0.00439%0.386CS..Hα-helixtrans-63.8-32.3-177.7-66.3-38.9000112.4K3 I8 L9 E50 A51 V54 Y64 L72K3-Y5 HydrophobicContact CB-CD1 4.4Å; K3-Y5 HydrophobicContact CB-CE1 4.18Å; K3-Y5 HydrophobicContact CD-CE1 4.43Å; Y5-I8 HydrophobicContact CD1-CD1 3.99Å; Y5-I8 PolarHBondContact O-N 3.3Å; Y5-L9 PolarHBondContact O-N 3.44Å; Y5-L9 VanDerWaalsContact O-N 3.1Å; Y5-E50 HydrophobicContact CE1-CB 4.43Å; Y5-E50 HydrophobicContact CE1-CG 3.93Å; Y5-E50 PolarHBondContact OH-OE1 3.44Å; Y5-A51 VanDerWaalsContact CD1-CA 3.48Å; Y5-A51 HydrophobicContact CD1-CB 3.59Å; Y5-A51 HydrophobicContact CE1-CB 4.48Å; Y5-A51 HydrophobicContact CG-CB 3.91Å; Y5-V54 HydrophobicContact CD2-CB 3.97Å; Y5-V54 HydrophobicContact CD2-CG1 3.82Å; Y5-V54 HydrophobicContact CD2-CG2 4.33Å; Y5-V54 HydrophobicContact CE2-CB 3.8Å; Y5-V54 HydrophobicContact CE2-CG1 3.74Å; Y5-V54 HydrophobicContact CE2-CG2 3.65Å; Y5-Y64 HydrophobicContact CD2-CD1 4.08Å; Y5-Y64 AromaticContact CD2-CD2 3.49Å; Y5-Y64 HydrophobicContact CD2-CD2 3.49Å; Y5-Y64 VanDerWaalsContact CD2-CD2 3.49Å; Y5-Y64 AromaticContact CD2-CE1 3.82Å; Y5-Y64 HydrophobicContact CD2-CE1 3.82Å; Y5-Y64 AromaticContact CD2-CE2 3.2Å; Y5-Y64 HydrophobicContact CD2-CE2 3.2Å; Y5-Y64 AromaticContact CD2-CG 3.92Å; Y5-Y64 HydrophobicContact CD2-CG 3.92Å; Y5-Y64 AromaticContact CD2-CZ 3.38Å; Y5-Y64 AromaticContact CE2-CD2 3.55Å; Y5-Y64 HydrophobicContact CE2-CD2 3.55Å; Y5-Y64 AromaticContact CE2-CE2 3.45Å; Y5-Y64 HydrophobicContact CE2-CE2 3.45Å; Y5-Y64 VanDerWaalsContact CE2-CE2 3.45Å; Y5-Y64 HydrophobicContact CE2-CG 4.29Å; Y5-Y64 HydrophobicContact CG-CE1 4.33Å; Y5-Y64 HydrophobicContact CG-CE2 4.03Å; Y5-Y64 AromaticContact CG-CZ 3.85Å; Y5-Y64 PolarHBondContact N-OH 3.02Å; Y5-L72 HydrophobicContact CE2-CD1 3.83Å
6Y92.8Very high87.1Confident4 Ų467.4 Ų67.42%0.01639%0.389CS..Hα-helixtrans-66.6-42.4174.8-64.9-78.6000110.6D4 L9 G10 I11 S12 K13 L55 R61 Y64 D65D4-Y6 VanDerWaalsContact C-N 3.27Å; D4-Y6 PolarHBondContact O-N 3.27Å; D4-Y6 WeakPolarHBondContact OD1-CB 3.49Å; D4-Y6 PolarHBondContact OD1-N 3.17Å; D4-Y6 VanDerWaalsContact OD1-N 3.11Å; Y6-L9 PolarHBondContact O-N 2.69Å; Y6-G10 PolarHBondContact O-N 3.48Å; Y6-I11 CarbonylContact C-O 3.47Å; Y6-I11 HydrophobicContact CD1-CD1 4.1Å; Y6-I11 HydrophobicContact CD1-CG1 4.07Å; Y6-I11 PolarHBondContact O-N 3.23Å; Y6-S12 WeakPolarHBondContact CD1-O 3.3Å; Y6-K13 HydrophobicContact CD1-CG 4.49Å; Y6-K13 HydrophobicContact CD2-CB 4.47Å; Y6-K13 HydrophobicContact CD2-CD 4.46Å; Y6-K13 HydrophobicContact CD2-CG 3.7Å; Y6-K13 HydrophobicContact CE2-CB 4.35Å; Y6-K13 HydrophobicContact CE2-CG 3.92Å; Y6-K13 HydrophobicContact CG-CG 4Å; Y6-L55 HydrophobicContact CD1-CD1 4.1Å; Y6-L55 HydrophobicContact CE1-CD1 4.15Å; Y6-L55 HydrophobicContact CE1-CD2 3.94Å; Y6-L55 HydrophobicContact CE2-CD2 4Å; Y6-L55 HydrophobicContact CG-CD1 4.44Å; Y6-R61 PolarHBondContact OH-NE 3.5Å; Y6-Y64 AromaticContact CD2-CE1 3.88Å; Y6-Y64 HydrophobicContact CD2-CE1 3.88Å; Y6-Y64 HydrophobicContact CE2-CD1 4.03Å; Y6-Y64 AromaticContact CE2-CE1 3.69Å; Y6-Y64 HydrophobicContact CE2-CE1 3.69Å; Y6-D65 VanDerWaalsContact CE2-OD1 3.26Å; Y6-D65 WeakPolarHBondContact CE2-OD1 3.42Å; Y6-D65 PolarHBondContact OH-OD1 3.33Å; Y6-D65 PolarHBondContact OH-OD2 2.88Å
7K92.6Very high87.1Confident170 Ų17069 Ų6974%0.73940%0.396SS*.Hα-helixtrans-67.5-37.5175.7-168.9176.3-179.4178.80112.9D4 G10D4-K7 HydrophobicContact CB-CB 3.75Å; D4-K7 WeakPolarHBondContact O-CB 3.41Å; D4-K7 PolarHBondContact O-N 2.87Å; D4-K7 VanDerWaalsContact O-N 3.17Å; D4-K7 PolarHBondContact OD1-N 3.12Å; D4-K7 VanDerWaalsContact OD1-N 3.09Å; K7-G10 PolarHBondContact O-N 2.95Å
8I91.9Very high87Confident33 Ų3370.8 Ų70.817%0.16941%0.405CS..Hα-helixtrans-61.1-45.1176.3-73.1161.9000110.6K3 D4 Y5 G10 E47 I48 A51K3-I8 HydrophobicContact CB-CD1 3.92Å; K3-I8 HydrophobicContact CD-CD1 4.3Å; K3-I8 HydrophobicContact CG-CD1 4.45Å; D4-I8 VanDerWaalsContact O-CG1 3.31Å; D4-I8 WeakPolarHBondContact O-CG1 3.25Å; D4-I8 PolarHBondContact O-N 3.28Å; Y5-I8 HydrophobicContact CD1-CD1 3.99Å; Y5-I8 PolarHBondContact O-N 3.3Å; I8-G10 VanDerWaalsContact C-N 3.34Å; I8-E47 HydrophobicContact CD1-CB 4.22Å; I8-E47 HydrophobicContact CG2-CB 4.11Å; I8-I48 HydrophobicContact CG2-CG1 4.02Å; I8-A51 HydrophobicContact CB-CB 4.37Å; I8-A51 HydrophobicContact CG2-CB 4.04Å
9L91.5Very high87.1Confident4 Ų471.8 Ų71.82%0.02141%0.405CS..Hα-helixtrans-78.4-20.2177.8-65.8-179.5000112.8Y5 Y6 I11 L20 A23 Y24 I48 A51 L55Y5-L9 PolarHBondContact O-N 3.44Å; Y5-L9 VanDerWaalsContact O-N 3.1Å; Y6-L9 PolarHBondContact O-N 2.69Å; L9-I11 HydrophobicContact CB-CD1 4.21Å; L9-I11 HydrophobicContact CB-CG1 3.99Å; L9-I11 HydrophobicContact CD1-CD1 4.29Å; L9-L20 HydrophobicContact CD1-CD1 3.33Å; L9-A23 HydrophobicContact CB-CB 4.22Å; L9-Y24 HydrophobicContact CD2-CD2 4.4Å; L9-I48 HydrophobicContact CD2-CG2 3.97Å; L9-A51 HydrophobicContact CD1-CB 4.02Å; L9-A51 HydrophobicContact CD2-CB 4.17Å; L9-A51 HydrophobicContact CG-CB 3.81Å; L9-L55 HydrophobicContact CD1-CD1 3.92Å
10G90.8Very high87.2Confident60 Ų6068.5 Ų68.562%0.61939%0.386SS*.THydrogen-bonded Turntrans79.635.1-179.500000112.9Y6 K7 I8Y6-G10 PolarHBondContact O-N 3.48Å; K7-G10 PolarHBondContact O-N 2.95Å; I8-G10 VanDerWaalsContact C-N 3.34Å
11I92Very high87.3Confident32 Ų3269.2 Ų69.216%0.16439%0.385CS..  trans-120.8163.8-179.855.2173.3000110.9Y6 L9 A15 L20 A23 L55Y6-I11 CarbonylContact C-O 3.47Å; Y6-I11 HydrophobicContact CD1-CD1 4.1Å; Y6-I11 HydrophobicContact CD1-CG1 4.07Å; Y6-I11 PolarHBondContact O-N 3.23Å; L9-I11 HydrophobicContact CB-CD1 4.21Å; L9-I11 HydrophobicContact CB-CG1 3.99Å; L9-I11 HydrophobicContact CD1-CD1 4.29Å; I11-A15 HydrophobicContact CB-CB 3.98Å; I11-A15 HydrophobicContact CD1-CB 4.05Å; I11-A15 HydrophobicContact CG1-CB 4.42Å; I11-L20 HydrophobicContact CD1-CB 4.4Å; I11-L20 HydrophobicContact CD1-CD1 3.63Å; I11-A23 HydrophobicContact CG2-CB 3.35Å; I11-L55 HydrophobicContact CD1-CD1 4.47Å
12S90.5Very high88.6Confident74 Ų7465 Ų6552%0.51736%0.361SS..  trans-82.8158.2173.982.40000111.4Y6 G14 A15Y6-S12 WeakPolarHBondContact CD1-O 3.3Å; S12-G14 PolarHBondContact O-N 3.36Å; S12-G14 VanDerWaalsContact O-N 3.14Å; S12-G14 PolarHBondContact OG-N 3Å; S12-A15 VanDerWaalsContact O-CB 3.23Å; S12-A15 WeakPolarHBondContact O-CB 3.45Å; S12-A15 PolarHBondContact O-N 2.9Å
13K87.4Confident89.4Confident148 Ų14863.8 Ų63.864%0.64335%0.347SS*.THydrogen-bonded Turntrans-58.5-24.5174.6-66-167.5174.2-171.20113.6Y6 R61Y6-K13 HydrophobicContact CD1-CG 4.49Å; Y6-K13 HydrophobicContact CD2-CB 4.47Å; Y6-K13 HydrophobicContact CD2-CD 4.46Å; Y6-K13 HydrophobicContact CD2-CG 3.7Å; Y6-K13 HydrophobicContact CE2-CB 4.35Å; Y6-K13 HydrophobicContact CE2-CG 3.92Å; Y6-K13 HydrophobicContact CG-CG 4Å; K13-R61 PolarHBondContact O-NH2 3.47Å
14G85.9Confident89.8Confident70 Ų7060.9 Ų60.972%0.72233%0.334SS*.THydrogen-bonded Turntrans-89.58.8177.400000114.9S12S12-G14 PolarHBondContact O-N 3.36Å; S12-G14 VanDerWaalsContact O-N 3.14Å; S12-G14 PolarHBondContact OG-N 3Å
15A86Confident89.6Confident3 Ų360.6 Ų60.63%0.02533%0.328CS..  trans-63.9138.6-177.700000112.2I11 S12 E19 R61I11-A15 HydrophobicContact CB-CB 3.98Å; I11-A15 HydrophobicContact CD1-CB 4.05Å; I11-A15 HydrophobicContact CG1-CB 4.42Å; S12-A15 VanDerWaalsContact O-CB 3.23Å; S12-A15 WeakPolarHBondContact O-CB 3.45Å; S12-A15 PolarHBondContact O-N 2.9Å; A15-E19 VanDerWaalsContact CA-OE2 3.24Å; A15-E19 WeakPolarHBondContact CA-OE2 3.28Å; A15-E19 HydrophobicContact CB-CB 4.03Å; A15-E19 WeakPolarHBondContact CB-OE2 3.5Å; A15-R61 PolarHBondContact O-NH1 3.34Å; A15-R61 PolarHBondContact O-NH2 3.35Å
16N88.8Confident89.5Confident82 Ų8266.3 Ų66.344%0.43935%0.353SS..  trans-78.9171.5173.367.326.7000111.5D18 E19 L20N16-D18 PolarHBondContact O-N 2.96Å; N16-D18 PolarHBondContact OD1-N 3.42Å; N16-E19 PolarHBondContact O-N 3.23Å; N16-E19 WeakPolarHBondContact OD1-CB 3.33Å; N16-E19 WeakPolarHBondContact OD1-CG 3.34Å; N16-E19 PolarHBondContact OD1-N 3.42Å; N16-L20 PolarHBondContact O-N 3.26Å
17D87.4Confident89.4Confident95 Ų9567.9 Ų67.951%0.50836%0.361SS..Hα-helixtrans-62.6-30.3-176.8-65.1-10.1000113.1K21 R61D17-K21 WeakPolarHBondContact O-CB 3.37Å; D17-K21 VanDerWaalsContact O-CG 3.26Å; D17-K21 WeakPolarHBondContact O-CG 3.49Å; D17-K21 PolarHBondContact O-N 3.13Å; D17-R61 IonicContact OD1-NH1 3.99Å
18D84.1Confident89.3Confident102 Ų10259.8 Ų59.855%0.54533%0.326SS..Hα-helixtrans-70.5-40.3178-75.2-17.8000111.9N16 K22N16-D18 PolarHBondContact O-N 2.96Å; N16-D18 PolarHBondContact OD1-N 3.42Å; D18-K22 WeakPolarHBondContact O-CB 3.44Å; D18-K22 VanDerWaalsContact O-CG 3.26Å; D18-K22 WeakPolarHBondContact O-CG 3.4Å; D18-K22 PolarHBondContact O-N 2.82Å
19E89Confident89.1Confident89 Ų8959 Ų5942%0.41632%0.322SS..Hα-helixtrans-65.3-42.7173.9-75175.6178.700111.2A15 N16 K21 K22 A23A15-E19 VanDerWaalsContact CA-OE2 3.24Å; A15-E19 WeakPolarHBondContact CA-OE2 3.28Å; A15-E19 HydrophobicContact CB-CB 4.03Å; A15-E19 WeakPolarHBondContact CB-OE2 3.5Å; N16-E19 PolarHBondContact O-N 3.23Å; N16-E19 WeakPolarHBondContact OD1-CB 3.33Å; N16-E19 WeakPolarHBondContact OD1-CG 3.34Å; N16-E19 PolarHBondContact OD1-N 3.42Å; E19-K21 PolarHBondContact O-N 3.02Å; E19-K22 PolarHBondContact O-N 3.19Å; E19-A23 VanDerWaalsContact O-CB 3.28Å; E19-A23 WeakPolarHBondContact O-CB 3.09Å; E19-A23 PolarHBondContact O-N 3.1Å
20L90.1Very high88.9Confident5 Ų564.5 Ų64.53%0.02635%0.345CS..Hα-helixtrans-57.7-49.8174.7177.967.1000111.4L9 I11 N16 K22 A23 Y24 Y52 L55L9-L20 HydrophobicContact CD1-CD1 3.33Å; I11-L20 HydrophobicContact CD1-CB 4.4Å; I11-L20 HydrophobicContact CD1-CD1 3.63Å; N16-L20 PolarHBondContact O-N 3.26Å; L20-K22 PolarHBondContact O-N 3.01Å; L20-A23 PolarHBondContact O-N 2.71Å; L20-Y24 WeakPolarHBondContact O-CB 3.48Å; L20-Y24 PolarHBondContact O-N 3.38Å; L20-Y52 HydrophobicContact CD1-CD2 4.33Å; L20-Y52 HydrophobicContact CD2-CD2 4.41Å; L20-Y52 HydrophobicContact CD2-CE2 4.37Å; L20-Y52 HydrophobicContact CG-CD2 4.03Å; L20-Y52 HydrophobicContact CG-CE2 4.12Å; L20-L55 HydrophobicContact CD1-CB 3.72Å; L20-L55 HydrophobicContact CD1-CD1 4Å; L20-L55 VanDerWaalsContact CD2-C 3.5Å; L20-L55 HydrophobicContact CD2-CB 3.87Å; L20-L55 VanDerWaalsContact CD2-O 3.31Å; L20-L55 WeakPolarHBondContact CD2-O 3.3Å; L20-L55 HydrophobicContact CG-CB 4.47Å
21K88.7Confident88.8Confident84 Ų8463.4 Ų63.437%0.36532%0.323SS..Hα-helixtrans-62.2-41.7178-73.2172.6-176.6170.90112.1D17 E19 R25 Y52 F100D17-K21 WeakPolarHBondContact O-CB 3.37Å; D17-K21 VanDerWaalsContact O-CG 3.26Å; D17-K21 WeakPolarHBondContact O-CG 3.49Å; D17-K21 PolarHBondContact O-N 3.13Å; E19-K21 PolarHBondContact O-N 3.02Å; K21-R25 VanDerWaalsContact O-CB 3.3Å; K21-R25 WeakPolarHBondContact O-CB 3.22Å; K21-R25 PolarHBondContact O-N 3.06Å; K21-Y52 HydrophobicContact CG-CE2 4.27Å; K21-F100 HydrophobicContact CB-CE2 4.06Å; K21-F100 HydrophobicContact CB-CZ 4.27Å; K21-F100 HydrophobicContact CG-CE2 4.1Å; K21-F100 VanDerWaalsContact O-CZ 3.29Å; K21-F100 WeakPolarHBondContact O-CZ 3.5Å
22K88.6Confident88.6Confident144 Ų14462.3 Ų62.363%0.62632%0.317SS*.Hα-helixtrans-64.5-42.8176.8-76.6172.1-175170.30111.9D18 E19 L20 R25 K26D18-K22 WeakPolarHBondContact O-CB 3.44Å; D18-K22 VanDerWaalsContact O-CG 3.26Å; D18-K22 WeakPolarHBondContact O-CG 3.4Å; D18-K22 PolarHBondContact O-N 2.82Å; E19-K22 PolarHBondContact O-N 3.19Å; L20-K22 PolarHBondContact O-N 3.01Å; K22-R25 PolarHBondContact O-N 3.29Å; K22-K26 WeakPolarHBondContact O-CB 3.39Å; K22-K26 PolarHBondContact O-N 2.92Å
23A91.5Very high88.2Confident13 Ų1360.5 Ų60.511%0.10730%0.304CS..Hα-helixtrans-65.4-47.8179.500000111.8L9 I11 E19 L20 R25 K26 Q27L9-A23 HydrophobicContact CB-CB 4.22Å; I11-A23 HydrophobicContact CG2-CB 3.35Å; E19-A23 VanDerWaalsContact O-CB 3.28Å; E19-A23 WeakPolarHBondContact O-CB 3.09Å; E19-A23 PolarHBondContact O-N 3.1Å; L20-A23 PolarHBondContact O-N 2.71Å; A23-R25 PolarHBondContact O-N 2.77Å; A23-K26 PolarHBondContact O-N 2.89Å; A23-Q27 WeakPolarHBondContact O-CG 3.41Å; A23-Q27 PolarHBondContact O-N 2.85Å
24Y91.9Very high87.9Confident0 Ų058.3 Ų58.30%030%0.299CS..Hα-helixtrans-57.4-49.8173.9176.7-101.6000111.5L9 L20 K26 Q27 A28 I48 Y52 T96 F97 F100 F101L9-Y24 HydrophobicContact CD2-CD2 4.4Å; L20-Y24 WeakPolarHBondContact O-CB 3.48Å; L20-Y24 PolarHBondContact O-N 3.38Å; Y24-K26 VanDerWaalsContact C-N 3.3Å; Y24-K26 PolarHBondContact O-N 2.78Å; Y24-Q27 PolarHBondContact O-N 2.84Å; Y24-A28 HydrophobicContact CE1-CB 4.15Å; Y24-A28 HydrophobicContact CE2-CB 4.23Å; Y24-A28 WeakPolarHBondContact O-CB 3.48Å; Y24-A28 PolarHBondContact O-N 2.92Å; Y24-I48 HydrophobicContact CD2-CG2 3.62Å; Y24-I48 HydrophobicContact CE2-CG2 3.76Å; Y24-Y52 VanDerWaalsContact CB-CD2 3.43Å; Y24-Y52 HydrophobicContact CD1-CD1 4.23Å; Y24-Y52 HydrophobicContact CD1-CD2 4.16Å; Y24-Y52 HydrophobicContact CD1-CE1 4.46Å; Y24-Y52 HydrophobicContact CD1-CE2 4.38Å; Y24-Y52 HydrophobicContact CD1-CG 4.08Å; Y24-Y52 HydrophobicContact CD2-CD1 4.2Å; Y24-Y52 AromaticContact CD2-CD2 4Å; Y24-Y52 HydrophobicContact CD2-CD2 4Å; Y24-Y52 AromaticContact CD2-CG 3.55Å; Y24-Y52 HydrophobicContact CD2-CG 3.55Å; Y24-Y52 HydrophobicContact CE1-CD1 4.33Å; Y24-Y52 HydrophobicContact CE2-CD1 4.26Å; Y24-Y52 HydrophobicContact CE2-CG 4.02Å; Y24-Y52 HydrophobicContact CG-CD1 4.15Å; Y24-Y52 AromaticContact CG-CD2 3.58Å; Y24-Y52 HydrophobicContact CG-CD2 3.58Å; Y24-Y52 HydrophobicContact CG-CE2 4.19Å; Y24-Y52 AromaticContact CG-CG 3.55Å; Y24-Y52 HydrophobicContact CG-CG 3.55Å; Y24-T96 HydrophobicContact CE2-CG2 4.33Å; Y24-F97 VanDerWaalsContact OH-CA 3.29Å; Y24-F97 WeakPolarHBondContact OH-CA 3.49Å; Y24-F97 PolarHBondContact OH-N 2.81Å; Y24-F100 HydrophobicContact CD1-CB 4.16Å; Y24-F100 AromaticContact CD1-CD1 3.81Å; Y24-F100 HydrophobicContact CD1-CD1 3.81Å; Y24-F100 AromaticContact CD1-CD2 3.41Å; Y24-F100 HydrophobicContact CD1-CD2 3.41Å; Y24-F100 VanDerWaalsContact CD1-CD2 3.41Å; Y24-F100 HydrophobicContact CD1-CE1 4.01Å; Y24-F100 AromaticContact CD1-CE2 3.61Å; Y24-F100 HydrophobicContact CD1-CE2 3.61Å; Y24-F100 AromaticContact CD1-CG 3.51Å; Y24-F100 HydrophobicContact CD1-CG 3.51Å; Y24-F100 AromaticContact CD1-CZ 3.91Å; Y24-F100 HydrophobicContact CD1-CZ 3.91Å; Y24-F100 HydrophobicContact CE1-CB 3.5Å; Y24-F100 VanDerWaalsContact CE1-CB 3.5Å; Y24-F100 AromaticContact CE1-CD1 3.76Å; Y24-F100 HydrophobicContact CE1-CD1 3.76Å; Y24-F100 AromaticContact CE1-CD2 3.68Å; Y24-F100 HydrophobicContact CE1-CD2 3.68Å; Y24-F100 HydrophobicContact CE1-CE1 4.4Å; Y24-F100 HydrophobicContact CE1-CE2 4.33Å; Y24-F100 AromaticContact CE1-CG 3.35Å; Y24-F100 HydrophobicContact CE1-CG 3.35Å; Y24-F101 HydrophobicContact CE1-CE2 4.32Å
25R88.5Confident87.6Confident60 Ų6060.6 Ų60.623%0.22629%0.289CS..Hα-helixtrans-52.7-47.8177.2-175.7-179.9-66.2-118-3.7111.8K21 K22 A23 L29 F100 F101K21-R25 VanDerWaalsContact O-CB 3.3Å; K21-R25 WeakPolarHBondContact O-CB 3.22Å; K21-R25 PolarHBondContact O-N 3.06Å; K22-R25 PolarHBondContact O-N 3.29Å; A23-R25 PolarHBondContact O-N 2.77Å; R25-L29 HydrophobicContact CG-CD1 4.14Å; R25-L29 WeakPolarHBondContact O-CD1 3.34Å; R25-L29 WeakPolarHBondContact O-CG 3.4Å; R25-L29 PolarHBondContact O-N 3.09Å; R25-F100 HydrophobicContact CB-CE1 3.75Å; R25-F100 HydrophobicContact CB-CZ 3.88Å; R25-F100 HydrophobicContact CG-CE1 4.12Å; R25-F101 HydrophobicContact CB-CZ 4.42Å; R25-F101 HydrophobicContact CG-CE1 3.95Å; R25-F101 HydrophobicContact CG-CZ 3.92Å
26K90.3Very high87.4Confident120 Ų12062.1 Ų62.152%0.52230%0.297SS..Hα-helixtrans-64.5-46.3-178.9-175.8176.6-178.8173.50111.9K22 A23 Y24 K30K22-K26 WeakPolarHBondContact O-CB 3.39Å; K22-K26 PolarHBondContact O-N 2.92Å; A23-K26 PolarHBondContact O-N 2.89Å; Y24-K26 VanDerWaalsContact C-N 3.3Å; Y24-K26 PolarHBondContact O-N 2.78Å; K26-K30 WeakPolarHBondContact O-CB 3.34Å; K26-K30 PolarHBondContact O-N 3.48Å
27Q90.9Very high87Confident38 Ų3867.7 Ų67.718%0.17832%0.317CS..Hα-helixtrans-73.3-42.1-176.2-66.9-71.316.800112.1A23 Y24 L29 K30 Y31 I48A23-Q27 WeakPolarHBondContact O-CG 3.41Å; A23-Q27 PolarHBondContact O-N 2.85Å; Y24-Q27 PolarHBondContact O-N 2.84Å; Q27-L29 VanDerWaalsContact C-N 3.33Å; Q27-L29 PolarHBondContact O-N 2.98Å; Q27-K30 WeakPolarHBondContact O-CB 3.38Å; Q27-K30 PolarHBondContact O-N 2.96Å; Q27-K30 VanDerWaalsContact O-N 3.09Å; Q27-Y31 PolarHBondContact O-N 3.3Å; Q27-I48 HydrophobicContact CB-CD1 3.66Å; Q27-I48 HydrophobicContact CB-CG1 3.93Å; Q27-I48 HydrophobicContact CB-CG2 3.86Å
28A89.9Confident86.9Confident0 Ų066.3 Ų66.30%032%0.315CS..Hα-helixtrans-59.9-42177.600000111.8Y24 K30 H32 F45 I48 F97 F101Y24-A28 HydrophobicContact CE1-CB 4.15Å; Y24-A28 HydrophobicContact CE2-CB 4.23Å; Y24-A28 WeakPolarHBondContact O-CB 3.48Å; Y24-A28 PolarHBondContact O-N 2.92Å; A28-K30 VanDerWaalsContact C-N 3.33Å; A28-K30 PolarHBondContact O-N 2.98Å; A28-H32 WeakPolarHBondContact O-CB 3.4Å; A28-H32 PolarHBondContact O-N 3.02Å; A28-F45 HydrophobicContact CB-CE2 4.2Å; A28-I48 HydrophobicContact CB-CG2 4.46Å; A28-F97 HydrophobicContact CB-CD2 3.99Å; A28-F97 HydrophobicContact CB-CE2 4.07Å; A28-F101 HydrophobicContact CB-CE2 4.1Å
29L87.6Confident86.9Confident16 Ų1667.2 Ų67.28%0.08433%0.326CS..Hα-helixtrans-71.2-27.1176-64.1173.4000113.2R25 Q27 F97 F101 P106 F107R25-L29 HydrophobicContact CG-CD1 4.14Å; R25-L29 WeakPolarHBondContact O-CD1 3.34Å; R25-L29 WeakPolarHBondContact O-CG 3.4Å; R25-L29 PolarHBondContact O-N 3.09Å; Q27-L29 VanDerWaalsContact C-N 3.33Å; Q27-L29 PolarHBondContact O-N 2.98Å; L29-F97 HydrophobicContact CD2-CE2 4.49Å; L29-F97 HydrophobicContact CD2-CZ 4.42Å; L29-F101 HydrophobicContact CD1-CE1 4.41Å; L29-F101 HydrophobicContact CD1-CZ 4.36Å; L29-F101 HydrophobicContact CD2-CE1 4.05Å; L29-F101 HydrophobicContact CD2-CZ 3.85Å; L29-F101 HydrophobicContact CG-CE1 4.32Å; L29-F101 HydrophobicContact CG-CZ 3.9Å; L29-P106 HydrophobicContact CD2-CG 3.87Å; L29-F107 HydrophobicContact CB-CZ 4.49Å; L29-F107 HydrophobicContact CD2-CE2 3.68Å; L29-F107 HydrophobicContact CD2-CZ 3.61Å; L29-F107 HydrophobicContact CG-CZ 4.42Å
30K88.2Confident86.7Confident120 Ų12067.5 Ų67.552%0.52233%0.331SS..Hα-helixtrans-77-35.1179.5-177.7178178.8-177.10112.6K26 Q27 A28 N36K26-K30 WeakPolarHBondContact O-CB 3.34Å; K26-K30 PolarHBondContact O-N 3.48Å; Q27-K30 WeakPolarHBondContact O-CB 3.38Å; Q27-K30 PolarHBondContact O-N 2.96Å; Q27-K30 VanDerWaalsContact O-N 3.09Å; A28-K30 VanDerWaalsContact C-N 3.33Å; A28-K30 PolarHBondContact O-N 2.98Å; K30-N36 PolarHBondContact O-ND2 3.48Å
31Y88.7Confident86.4Confident37 Ų3767.3 Ų67.315%0.14533%0.33CS..Hα-helixtrans-109.110.6-176.1-68-71.5000113.6Q27 A41 K44 I48Q27-Y31 PolarHBondContact O-N 3.3Å; Y31-A41 HydrophobicContact CD1-CB 4.35Å; Y31-K44 HydrophobicContact CD1-CB 3.9Å; Y31-K44 HydrophobicContact CD1-CD 3.86Å; Y31-K44 HydrophobicContact CD2-CB 4.36Å; Y31-K44 HydrophobicContact CE1-CB 4.27Å; Y31-K44 HydrophobicContact CE1-CD 3.36Å; Y31-K44 HydrophobicContact CE1-CG 4.45Å; Y31-K44 HydrophobicContact CE2-CD 4.16Å; Y31-K44 HydrophobicContact CG-CB 3.95Å; Y31-K44 HydrophobicContact CG-CD 4.47Å; Y31-K44 PolarHBondContact OH-NZ 2.77Å; Y31-I48 HydrophobicContact CD2-CD1 3.42Å; Y31-I48 VanDerWaalsContact CD2-CD1 3.42Å; Y31-I48 HydrophobicContact CE2-CD1 4.26Å; Y31-I48 HydrophobicContact CG-CD1 4.02Å
32H87Confident86.2Confident8 Ų870.4 Ų70.44%0.03735%0.346CS..  trans-57131.1177.7-163.8-96.3000111.3A28 D34 K35 N36 F45 F97A28-H32 WeakPolarHBondContact O-CB 3.4Å; A28-H32 PolarHBondContact O-N 3.02Å; H32-D34 IonicContact CE1-OD2 2.67Å; H32-D34 PolarHBondContact CE1-OD2 3.01Å; H32-D34 VanDerWaalsContact CE1-OD2 3.32Å; H32-D34 PolarHBondContact ND1-N 2.87Å; H32-D34 IonicContact ND1-OD2 3.87Å; H32-D34 PolarHBondContact O-N 3.12Å; H32-D34 VanDerWaalsContact O-N 3.15Å; H32-K35 HydrophobicContact CB-CB 4.4Å; H32-K35 PolarHBondContact O-N 3.35Å; H32-N36 PolarHBondContact O-N 2.99Å; H32-F45 AromaticContact CD2-CZ 3.94Å; H32-F97 AromaticContact CD2-CE2 3.57Å; H32-F97 AromaticContact CD2-CZ 3.56Å; H32-F97 AromaticContact NE2-CE1 3.84Å; H32-F97 AromaticContact NE2-CZ 3.81Å
33P82.8Confident86.2Confident37 Ų3769.7 Ų69.724%0.2435%0.345CS..THydrogen-bonded Turntrans-59.1-30.8-17421.3-33.5000113.4
34D79.9Confident86.1Confident101 Ų10173.1 Ų73.154%0.5436%0.357SS..THydrogen-bonded Turntrans-75.1-26.2179.1-60.9-15.4000112.9H32H32-D34 IonicContact CE1-OD2 2.67Å; H32-D34 PolarHBondContact CE1-OD2 3.01Å; H32-D34 VanDerWaalsContact CE1-OD2 3.32Å; H32-D34 PolarHBondContact ND1-N 2.87Å; H32-D34 IonicContact ND1-OD2 3.87Å; H32-D34 PolarHBondContact O-N 3.12Å; H32-D34 VanDerWaalsContact O-N 3.15Å
35K79.8Confident86Confident118 Ų11873.4 Ų73.451%0.51336%0.358SS..THydrogen-bonded Turntrans-99.3-28.2-176.1-166.3171.9-179178.30112.6H32H32-K35 HydrophobicContact CB-CB 4.4Å; H32-K35 PolarHBondContact O-N 3.35Å
36N82.1Confident86.1Confident36 Ų3675.5 Ų75.519%0.19337%0.369CS..  trans-127.1100.7-173.8-169.6-15000110.6K30 H32 S38 A41K30-N36 PolarHBondContact O-ND2 3.48Å; H32-N36 PolarHBondContact O-N 2.99Å; N36-S38 VanDerWaalsContact C-N 3.27Å; N36-S38 PolarHBondContact O-N 2.8Å; N36-S38 VanDerWaalsContact OD1-CB 3.25Å; N36-S38 WeakPolarHBondContact OD1-CB 3.3Å; N36-S38 PolarHBondContact OD1-N 2.88Å; N36-S38 VanDerWaalsContact OD1-N 3.14Å; N36-S38 PolarHBondContact OD1-OG 2.93Å; N36-A41 HydrophobicContact CB-CB 3.99Å; N36-A41 VanDerWaalsContact O-CB 3.24Å; N36-A41 WeakPolarHBondContact O-CB 3.29Å
37K81.1Confident86.1Confident198 Ų19872.9 Ų72.986%0.86136%0.359SS*.  trans-87.617.2179.1-59.2-172.5178.7-175.90113.9
38S85.1Confident86.2Confident67 Ų6771.2 Ų71.247%0.46935%0.351SS..  trans-67.9145.9177.2-53.60000110.2N36 N40 A41N36-S38 VanDerWaalsContact C-N 3.27Å; N36-S38 PolarHBondContact O-N 2.8Å; N36-S38 VanDerWaalsContact OD1-CB 3.25Å; N36-S38 WeakPolarHBondContact OD1-CB 3.3Å; N36-S38 PolarHBondContact OD1-N 2.88Å; N36-S38 VanDerWaalsContact OD1-N 3.14Å; N36-S38 PolarHBondContact OD1-OG 2.93Å; S38-N40 PolarHBondContact O-N 3.25Å; S38-A41 VanDerWaalsContact O-CB 3.3Å; S38-A41 WeakPolarHBondContact O-CB 3.46Å; S38-A41 PolarHBondContact O-N 2.81Å
39P82.8Confident86.2Confident121 Ų12171.3 Ų71.379%0.78635%0.351SS*.THydrogen-bonded Turntrans-57.5-28.1-176.520.5-32.3000113.8
40N85.8Confident86.3Confident95 Ų9571 Ų7151%0.50835%0.35SS..THydrogen-bonded Turntrans-99.95.4-179.2-56.6-5.9000113.3S38 K44S38-N40 PolarHBondContact O-N 3.25Å; N40-K44 WeakPolarHBondContact O-CB 3.48Å; N40-K44 WeakPolarHBondContact O-CG 3.24Å; N40-K44 PolarHBondContact O-N 2.83Å
41A84.1Confident86.5Confident1 Ų165.3 Ų65.31%0.00833%0.325CS..Hα-helixtrans-72.1-42-175.400000112Y31 N36 S38 K44 F45Y31-A41 HydrophobicContact CD1-CB 4.35Å; N36-A41 HydrophobicContact CB-CB 3.99Å; N36-A41 VanDerWaalsContact O-CB 3.24Å; N36-A41 WeakPolarHBondContact O-CB 3.29Å; S38-A41 VanDerWaalsContact O-CB 3.3Å; S38-A41 WeakPolarHBondContact O-CB 3.46Å; S38-A41 PolarHBondContact O-N 2.81Å; A41-K44 PolarHBondContact O-N 2.98Å; A41-F45 WeakPolarHBondContact O-CB 3.07Å; A41-F45 PolarHBondContact O-N 2.83Å
42E84.6Confident86.6Confident148 Ų14864.4 Ų64.469%0.69232%0.321SS*.Hα-helixtrans-65.2-43.8179.5-173171.6-171.800111.9K44 F45 K46E42-K44 PolarHBondContact O-N 3.45Å; E42-F45 PolarHBondContact O-N 3.22Å; E42-K46 PolarHBondContact O-N 3.35Å
43E88.3Confident86.7Confident130 Ų13065.5 Ų65.561%0.60733%0.328SS*.Hα-helixtrans-59.8-46.3174.4-66.8-176.3165.200111.5F45 K46 E47E43-F45 VanDerWaalsContact C-N 3.35Å; E43-F45 PolarHBondContact O-N 2.89Å; E43-K46 WeakPolarHBondContact O-CB 3.23Å; E43-K46 PolarHBondContact O-N 3.07Å; E43-E47 WeakPolarHBondContact O-CG 3.41Å; E43-E47 PolarHBondContact O-N 3.28Å
44K88.5Confident87Confident84 Ų8463.8 Ų63.837%0.36532%0.316SS..Hα-helixtrans-63.4-40.9176.3-77-176.2175.4-174.90112.3Y31 N40 A41 E42 K46 E47 I48Y31-K44 HydrophobicContact CD1-CB 3.9Å; Y31-K44 HydrophobicContact CD1-CD 3.86Å; Y31-K44 HydrophobicContact CD2-CB 4.36Å; Y31-K44 HydrophobicContact CE1-CB 4.27Å; Y31-K44 HydrophobicContact CE1-CD 3.36Å; Y31-K44 HydrophobicContact CE1-CG 4.45Å; Y31-K44 HydrophobicContact CE2-CD 4.16Å; Y31-K44 HydrophobicContact CG-CB 3.95Å; Y31-K44 HydrophobicContact CG-CD 4.47Å; Y31-K44 PolarHBondContact OH-NZ 2.77Å; N40-K44 WeakPolarHBondContact O-CB 3.48Å; N40-K44 WeakPolarHBondContact O-CG 3.24Å; N40-K44 PolarHBondContact O-N 2.83Å; A41-K44 PolarHBondContact O-N 2.98Å; E42-K44 PolarHBondContact O-N 3.45Å; K44-K46 VanDerWaalsContact C-N 3.27Å; K44-K46 PolarHBondContact O-N 2.79Å; K44-E47 PolarHBondContact O-N 3.08Å; K44-I48 HydrophobicContact CB-CD1 4.47Å; K44-I48 WeakPolarHBondContact O-CB 3.46Å; K44-I48 VanDerWaalsContact O-CD1 3.23Å; K44-I48 WeakPolarHBondContact O-CD1 3.23Å; K44-I48 WeakPolarHBondContact O-CG1 3.21Å; K44-I48 PolarHBondContact O-N 2.94Å
45F90.4Very high87.6Confident7 Ų759 Ų593%0.03129%0.291CS..Hα-helixtrans-60.6-40.5177.1-172.5-111.3000111.4A28 H32 A41 E42 E43 I48 A49 P93 F97A28-F45 HydrophobicContact CB-CE2 4.2Å; H32-F45 AromaticContact CD2-CZ 3.94Å; A41-F45 WeakPolarHBondContact O-CB 3.07Å; A41-F45 PolarHBondContact O-N 2.83Å; E42-F45 PolarHBondContact O-N 3.22Å; E43-F45 VanDerWaalsContact C-N 3.35Å; E43-F45 PolarHBondContact O-N 2.89Å; F45-I48 PolarHBondContact O-N 2.84Å; F45-A49 WeakPolarHBondContact O-CB 3.42Å; F45-A49 PolarHBondContact O-N 3.49Å; F45-P93 HydrophobicContact CD1-CB 3.52Å; F45-P93 HydrophobicContact CD1-CG 4.45Å; F45-P93 HydrophobicContact CE1-CB 3.56Å; F45-F97 AromaticContact CE2-CD2 3.79Å; F45-F97 HydrophobicContact CE2-CD2 3.79Å; F45-F97 HydrophobicContact CE2-CE2 4.32Å; F45-F97 HydrophobicContact CZ-CB 3.91Å; F45-F97 AromaticContact CZ-CD2 3.66Å; F45-F97 HydrophobicContact CZ-CD2 3.66Å; F45-F97 HydrophobicContact CZ-CE2 4.44Å; F45-F97 AromaticContact CZ-CG 3.98Å; F45-F97 HydrophobicContact CZ-CG 3.98Å
46K90.2Very high87.9Confident104 Ų10454.8 Ų54.845%0.45228%0.276SS..Hα-helixtrans-62.3-44.9173.4-174174.9-174.91780112.4E42 E43 K44 A49 E50 F89 P93E42-K46 PolarHBondContact O-N 3.35Å; E43-K46 WeakPolarHBondContact O-CB 3.23Å; E43-K46 PolarHBondContact O-N 3.07Å; K44-K46 VanDerWaalsContact C-N 3.27Å; K44-K46 PolarHBondContact O-N 2.79Å; K46-A49 PolarHBondContact O-N 3.16Å; K46-E50 WeakPolarHBondContact O-CB 3.46Å; K46-E50 PolarHBondContact O-N 3.4Å; K46-F89 HydrophobicContact CG-CE1 4.36Å; K46-P93 HydrophobicContact CB-CG 3.79Å; K46-P93 HydrophobicContact CG-CG 3.86Å
47E90.8Very high88Confident64 Ų6455.8 Ų55.830%0.29928%0.282SS..Hα-helixtrans-63.5-39.4176-70.5-177.4163.100113K3 I8 E43 K44 E50 A51K3-E47 HydrophobicContact CD-CG 4.43Å; K3-E47 IonicContact NZ-OE1 2.62Å; I8-E47 HydrophobicContact CD1-CB 4.22Å; I8-E47 HydrophobicContact CG2-CB 4.11Å; E43-E47 WeakPolarHBondContact O-CG 3.41Å; E43-E47 PolarHBondContact O-N 3.28Å; K44-E47 PolarHBondContact O-N 3.08Å; E47-E50 PolarHBondContact O-N 3.41Å; E47-A51 VanDerWaalsContact O-CB 3.27Å; E47-A51 WeakPolarHBondContact O-CB 3.18Å; E47-A51 PolarHBondContact O-N 2.95Å
48I92.2Very high88.2Confident4 Ų451.3 Ų51.32%0.02127%0.272CS..Hα-helixtrans-65.5-42.1178-70.4156.5000110.9I8 L9 Y24 Q27 A28 Y31 K44 F45 Y52I8-I48 HydrophobicContact CG2-CG1 4.02Å; L9-I48 HydrophobicContact CD2-CG2 3.97Å; Y24-I48 HydrophobicContact CD2-CG2 3.62Å; Y24-I48 HydrophobicContact CE2-CG2 3.76Å; Q27-I48 HydrophobicContact CB-CD1 3.66Å; Q27-I48 HydrophobicContact CB-CG1 3.93Å; Q27-I48 HydrophobicContact CB-CG2 3.86Å; A28-I48 HydrophobicContact CB-CG2 4.46Å; Y31-I48 HydrophobicContact CD2-CD1 3.42Å; Y31-I48 VanDerWaalsContact CD2-CD1 3.42Å; Y31-I48 HydrophobicContact CE2-CD1 4.26Å; Y31-I48 HydrophobicContact CG-CD1 4.02Å; K44-I48 HydrophobicContact CB-CD1 4.47Å; K44-I48 WeakPolarHBondContact O-CB 3.46Å; K44-I48 VanDerWaalsContact O-CD1 3.23Å; K44-I48 WeakPolarHBondContact O-CD1 3.23Å; K44-I48 WeakPolarHBondContact O-CG1 3.21Å; K44-I48 PolarHBondContact O-N 2.94Å; F45-I48 PolarHBondContact O-N 2.84Å; I48-Y52 PolarHBondContact O-N 2.92Å; I48-Y52 VanDerWaalsContact O-N 3.1Å
49A90.4Very high88.2Confident1 Ų154 Ų541%0.00828%0.276CS..Hα-helixtrans-64.6-46.417500000111.8F45 K46 A51 Y52 D53 F89 P93 T96F45-A49 WeakPolarHBondContact O-CB 3.42Å; F45-A49 PolarHBondContact O-N 3.49Å; K46-A49 PolarHBondContact O-N 3.16Å; A49-A51 PolarHBondContact O-N 3.06Å; A49-Y52 PolarHBondContact O-N 3.31Å; A49-D53 PolarHBondContact O-N 3.08Å; A49-F89 HydrophobicContact CB-CE2 4.41Å; A49-F89 HydrophobicContact CB-CZ 3.94Å; A49-P93 HydrophobicContact CB-CB 3.73Å; A49-T96 HydrophobicContact CB-CG2 4.31Å
50E90.5Very high88.4Confident10 Ų1050.4 Ų50.45%0.04725%0.248CC..Hα-helixtrans-59.6-45.3176.4-169.3-174.2167.100111.6K3 Y5 K46 E47 Y52 D53 V54 F89K3-E50 IonicContact NZ-OE2 3.68Å; K3-E50 PolarHBondContact NZ-OE2 3.26Å; Y5-E50 HydrophobicContact CE1-CB 4.43Å; Y5-E50 HydrophobicContact CE1-CG 3.93Å; Y5-E50 PolarHBondContact OH-OE1 3.44Å; K46-E50 WeakPolarHBondContact O-CB 3.46Å; K46-E50 PolarHBondContact O-N 3.4Å; E47-E50 PolarHBondContact O-N 3.41Å; E50-Y52 VanDerWaalsContact C-N 3.34Å; E50-Y52 PolarHBondContact O-N 2.84Å; E50-D53 PolarHBondContact O-N 2.76Å; E50-V54 WeakPolarHBondContact O-CG2 3.48Å; E50-V54 PolarHBondContact O-N 3.31Å; E50-V54 VanDerWaalsContact O-N 3.16Å; E50-F89 HydrophobicContact CB-CD2 4.21Å; E50-F89 HydrophobicContact CB-CE2 4.13Å; E50-F89 HydrophobicContact CB-CG 4.46Å; E50-F89 HydrophobicContact CB-CZ 4.33Å; E50-F89 HydrophobicContact CG-CB 4.48Å; E50-F89 HydrophobicContact CG-CD2 4.19Å; E50-F89 HydrophobicContact CG-CG 4.21Å
51A92.2Very high88.5Confident0 Ų047.9 Ų47.90%023%0.231CC..Hα-helixtrans-60.6-42.617800000112.3Y5 I8 L9 E47 A49 L55Y5-A51 VanDerWaalsContact CD1-CA 3.48Å; Y5-A51 HydrophobicContact CD1-CB 3.59Å; Y5-A51 HydrophobicContact CE1-CB 4.48Å; Y5-A51 HydrophobicContact CG-CB 3.91Å; I8-A51 HydrophobicContact CB-CB 4.37Å; I8-A51 HydrophobicContact CG2-CB 4.04Å; L9-A51 HydrophobicContact CD1-CB 4.02Å; L9-A51 HydrophobicContact CD2-CB 4.17Å; L9-A51 HydrophobicContact CG-CB 3.81Å; E47-A51 VanDerWaalsContact O-CB 3.27Å; E47-A51 WeakPolarHBondContact O-CB 3.18Å; E47-A51 PolarHBondContact O-N 2.95Å; A49-A51 PolarHBondContact O-N 3.06Å; A51-L55 VanDerWaalsContact O-CB 3.29Å; A51-L55 WeakPolarHBondContact O-CB 3.47Å; A51-L55 VanDerWaalsContact O-CG 3.25Å; A51-L55 WeakPolarHBondContact O-CG 3.31Å; A51-L55 PolarHBondContact O-N 3Å
52Y91.1Very high88.6Confident18 Ų1852.9 Ų52.97%0.07125%0.254CS..Hα-helixtrans-72.5-39.8179.2-177.3-100.2000112.7L20 K21 Y24 I48 A49 E50 V54 L55 S56 T96 F100L20-Y52 HydrophobicContact CD1-CD2 4.33Å; L20-Y52 HydrophobicContact CD2-CD2 4.41Å; L20-Y52 HydrophobicContact CD2-CE2 4.37Å; L20-Y52 HydrophobicContact CG-CD2 4.03Å; L20-Y52 HydrophobicContact CG-CE2 4.12Å; K21-Y52 HydrophobicContact CG-CE2 4.27Å; Y24-Y52 VanDerWaalsContact CB-CD2 3.43Å; Y24-Y52 HydrophobicContact CD1-CD1 4.23Å; Y24-Y52 HydrophobicContact CD1-CD2 4.16Å; Y24-Y52 HydrophobicContact CD1-CE1 4.46Å; Y24-Y52 HydrophobicContact CD1-CE2 4.38Å; Y24-Y52 HydrophobicContact CD1-CG 4.08Å; Y24-Y52 HydrophobicContact CD2-CD1 4.2Å; Y24-Y52 AromaticContact CD2-CD2 4Å; Y24-Y52 HydrophobicContact CD2-CD2 4Å; Y24-Y52 AromaticContact CD2-CG 3.55Å; Y24-Y52 HydrophobicContact CD2-CG 3.55Å; Y24-Y52 HydrophobicContact CE1-CD1 4.33Å; Y24-Y52 HydrophobicContact CE2-CD1 4.26Å; Y24-Y52 HydrophobicContact CE2-CG 4.02Å; Y24-Y52 HydrophobicContact CG-CD1 4.15Å; Y24-Y52 AromaticContact CG-CD2 3.58Å; Y24-Y52 HydrophobicContact CG-CD2 3.58Å; Y24-Y52 HydrophobicContact CG-CE2 4.19Å; Y24-Y52 AromaticContact CG-CG 3.55Å; Y24-Y52 HydrophobicContact CG-CG 3.55Å; I48-Y52 PolarHBondContact O-N 2.92Å; I48-Y52 VanDerWaalsContact O-N 3.1Å; A49-Y52 PolarHBondContact O-N 3.31Å; E50-Y52 VanDerWaalsContact C-N 3.34Å; E50-Y52 PolarHBondContact O-N 2.84Å; Y52-V54 VanDerWaalsContact C-N 3.25Å; Y52-V54 PolarHBondContact O-N 3.23Å; Y52-L55 PolarHBondContact O-N 2.92Å; Y52-S56 WeakPolarHBondContact O-CB 3.41Å; Y52-S56 PolarHBondContact O-N 3.24Å; Y52-S56 PolarHBondContact O-OG 2.78Å; Y52-T96 HydrophobicContact CD1-CG2 3.8Å; Y52-F100 AromaticContact CE1-CD2 3.78Å; Y52-F100 HydrophobicContact CE1-CD2 3.78Å; Y52-F100 HydrophobicContact CE1-CE2 4.47Å; Y52-F100 HydrophobicContact CE2-CD2 4.17Å; Y52-F100 HydrophobicContact CE2-CE2 4.05Å; Y52-F100 AromaticContact CZ-CD2 3.51Å; Y52-F100 AromaticContact CZ-CE2 3.78Å; Y52-F100 WeakPolarHBondContact OH-CD2 3.46Å
53D88.3Confident88.6Confident32 Ų3248.2 Ų48.217%0.17123%0.234CC..Hα-helixtrans-62.2-34.3177.7-176.848.7000112.4A49 E50 K60 Y87 F89A49-D53 PolarHBondContact O-N 3.08Å; E50-D53 PolarHBondContact O-N 2.76Å; D53-K60 WeakPolarHBondContact O-CD 3.25Å; D53-K60 PolarHBondContact O-NZ 2.81Å; D53-K60 VanDerWaalsContact O-NZ 3.15Å; D53-K60 IonicContact OD1-NZ 3.54Å; D53-K60 PolarHBondContact OD1-NZ 2.77Å; D53-K60 IonicContact OD2-NZ 2.86Å; D53-K60 PolarHBondContact OD2-NZ 3.29Å; D53-Y87 VanDerWaalsContact OD2-CE2 3.25Å; D53-Y87 WeakPolarHBondContact OD2-CE2 3.29Å; D53-Y87 PolarHBondContact OD2-OH 3.04Å; D53-Y87 VanDerWaalsContact OD2-OH 3.08Å; D53-F89 HydrophobicContact CB-CD2 4.38Å; D53-F89 HydrophobicContact CB-CE2 4.26Å
54V89.6Confident88.6Confident0 Ų042.9 Ų42.90%021%0.208CC..Hα-helixtrans-75.4-51174.3173.40000111.6Y5 E50 Y52 S56 K60 R61 Y64 L72 Y87Y5-V54 HydrophobicContact CD2-CB 3.97Å; Y5-V54 HydrophobicContact CD2-CG1 3.82Å; Y5-V54 HydrophobicContact CD2-CG2 4.33Å; Y5-V54 HydrophobicContact CE2-CB 3.8Å; Y5-V54 HydrophobicContact CE2-CG1 3.74Å; Y5-V54 HydrophobicContact CE2-CG2 3.65Å; E50-V54 WeakPolarHBondContact O-CG2 3.48Å; E50-V54 PolarHBondContact O-N 3.31Å; E50-V54 VanDerWaalsContact O-N 3.16Å; Y52-V54 VanDerWaalsContact C-N 3.25Å; Y52-V54 PolarHBondContact O-N 3.23Å; V54-S56 VanDerWaalsContact C-N 3.33Å; V54-S56 PolarHBondContact O-N 3.4Å; V54-K60 HydrophobicContact CG1-CB 4.21Å; V54-K60 VanDerWaalsContact O-CB 3.3Å; V54-K60 WeakPolarHBondContact O-CB 3.4Å; V54-R61 PolarHBondContact O-N 2.78Å; V54-Y64 HydrophobicContact CG1-CD2 4.43Å; V54-Y64 HydrophobicContact CG1-CG 4.07Å; V54-L72 HydrophobicContact CB-CD1 4.37Å; V54-L72 HydrophobicContact CG1-CD1 3.62Å; V54-L72 HydrophobicContact CG2-CD1 3.78Å; V54-Y87 HydrophobicContact CG2-CE1 3.72Å; V54-Y87 HydrophobicContact CG2-CE2 4.25Å; V54-Y87 WeakPolarHBondContact CG2-OH 3.43Å
55L91.3Very high88.6Confident2 Ų242.8 Ų42.81%0.0121%0.211CC..Hα-helixtrans-76.7-18.9-171.5-66.4177.3000113.6Y6 L9 I11 L20 A51 Y52 R61 Y64Y6-L55 HydrophobicContact CD1-CD1 4.1Å; Y6-L55 HydrophobicContact CE1-CD1 4.15Å; Y6-L55 HydrophobicContact CE1-CD2 3.94Å; Y6-L55 HydrophobicContact CE2-CD2 4Å; Y6-L55 HydrophobicContact CG-CD1 4.44Å; L9-L55 HydrophobicContact CD1-CD1 3.92Å; I11-L55 HydrophobicContact CD1-CD1 4.47Å; L20-L55 HydrophobicContact CD1-CB 3.72Å; L20-L55 HydrophobicContact CD1-CD1 4Å; L20-L55 VanDerWaalsContact CD2-C 3.5Å; L20-L55 HydrophobicContact CD2-CB 3.87Å; L20-L55 VanDerWaalsContact CD2-O 3.31Å; L20-L55 WeakPolarHBondContact CD2-O 3.3Å; L20-L55 HydrophobicContact CG-CB 4.47Å; A51-L55 VanDerWaalsContact O-CB 3.29Å; A51-L55 WeakPolarHBondContact O-CB 3.47Å; A51-L55 VanDerWaalsContact O-CG 3.25Å; A51-L55 WeakPolarHBondContact O-CG 3.31Å; A51-L55 PolarHBondContact O-N 3Å; Y52-L55 PolarHBondContact O-N 2.92Å; L55-R61 HydrophobicContact CD2-CG 4.05Å; L55-Y64 HydrophobicContact CD2-CD1 3.96Å; L55-Y64 HydrophobicContact CD2-CE1 4.34Å
56S86.4Confident88.3Confident29 Ų2948.7 Ų48.720%0.20324%0.237CC..THydrogen-bonded Turntrans-82.4-19.4179.1630000114.1Y52 V54Y52-S56 WeakPolarHBondContact O-CB 3.41Å; Y52-S56 PolarHBondContact O-N 3.24Å; Y52-S56 PolarHBondContact O-OG 2.78Å; V54-S56 VanDerWaalsContact C-N 3.33Å; V54-S56 PolarHBondContact O-N 3.4Å
57D84.7Confident88Confident57 Ų5751.2 Ų51.231%0.30525%0.245SC..SBendtrans-95117.7173.1-175.5-34.8000109.4K59 K60 R61D57-K59 PolarHBondContact O-N 2.89Å; D57-K59 VanDerWaalsContact O-N 3.1Å; D57-K59 WeakPolarHBondContact OD1-CB 3.39Å; D57-K59 PolarHBondContact OD1-N 2.76Å; D57-K60 HydrophobicContact CB-CB 4.03Å; D57-K60 HydrophobicContact CB-CD 3.86Å; D57-K60 HydrophobicContact CB-CG 3.85Å; D57-K60 PolarHBondContact O-N 3.27Å; D57-K60 VanDerWaalsContact O-N 3.12Å; D57-R61 WeakPolarHBondContact O-CB 3.22Å; D57-R61 PolarHBondContact O-N 3.07Å
58P86Confident87.7Confident103 Ų10349.4 Ų49.467%0.66924%0.243SC*.Hα-helixtrans-52.5-35.5-179.3-27.834.9000114E62P58-E62 PolarHBondContact O-N 2.97Å; P58-E62 VanDerWaalsContact O-N 3.1Å
59K83.5Confident87.2Confident125 Ų12550.2 Ų50.254%0.54325%0.247SC..Hα-helixtrans-73.2-43.9-179.7-65.4-176.1175.1-172.40111.9D57 E62 I63D57-K59 PolarHBondContact O-N 2.89Å; D57-K59 VanDerWaalsContact O-N 3.1Å; D57-K59 WeakPolarHBondContact OD1-CB 3.39Å; D57-K59 PolarHBondContact OD1-N 2.76Å; K59-E62 PolarHBondContact O-N 2.78Å; K59-I63 WeakPolarHBondContact O-CG1 3.48Å; K59-I63 PolarHBondContact O-N 2.99Å
60K86.8Confident86.4Confident44 Ų4456.7 Ų56.719%0.19128%0.277CS..Hα-helixtrans-67.2-40.1178.2-63-178.7-165167.60110.7D53 V54 D57 E62 I63 Y64 Y87D53-K60 WeakPolarHBondContact O-CD 3.25Å; D53-K60 PolarHBondContact O-NZ 2.81Å; D53-K60 VanDerWaalsContact O-NZ 3.15Å; D53-K60 IonicContact OD1-NZ 3.54Å; D53-K60 PolarHBondContact OD1-NZ 2.77Å; D53-K60 IonicContact OD2-NZ 2.86Å; D53-K60 PolarHBondContact OD2-NZ 3.29Å; V54-K60 HydrophobicContact CG1-CB 4.21Å; V54-K60 VanDerWaalsContact O-CB 3.3Å; V54-K60 WeakPolarHBondContact O-CB 3.4Å; D57-K60 HydrophobicContact CB-CB 4.03Å; D57-K60 HydrophobicContact CB-CD 3.86Å; D57-K60 HydrophobicContact CB-CG 3.85Å; D57-K60 PolarHBondContact O-N 3.27Å; D57-K60 VanDerWaalsContact O-N 3.12Å; K60-E62 VanDerWaalsContact C-N 3.35Å; K60-E62 PolarHBondContact O-N 2.77Å; K60-I63 PolarHBondContact O-N 3.48Å; K60-Y64 WeakPolarHBondContact O-CB 3.38Å; K60-Y64 PolarHBondContact O-N 3.18Å; K60-Y87 HydrophobicContact CD-CD2 3.91Å; K60-Y87 HydrophobicContact CD-CE2 3.9Å
61R88.7Confident85.5Confident42 Ų4257 Ų5716%0.15828%0.283CS..Hα-helixtrans-58.4-45.3174.4-175.6174.2-179.7173.60.1111.5Y6 K13 A15 D17 V54 L55 D57 I63 Y64 D65Y6-R61 PolarHBondContact OH-NE 3.5Å; K13-R61 PolarHBondContact O-NH2 3.47Å; A15-R61 PolarHBondContact O-NH1 3.34Å; A15-R61 PolarHBondContact O-NH2 3.35Å; D17-R61 IonicContact OD1-NH1 3.99Å; V54-R61 PolarHBondContact O-N 2.78Å; L55-R61 HydrophobicContact CD2-CG 4.05Å; D57-R61 WeakPolarHBondContact O-CB 3.22Å; D57-R61 PolarHBondContact O-N 3.07Å; R61-I63 PolarHBondContact O-N 2.57Å; R61-Y64 PolarHBondContact O-N 2.83Å; R61-D65 WeakPolarHBondContact O-CB 3.46Å; R61-D65 PolarHBondContact O-N 3.23Å
62E86.2Confident84.5Confident106 Ų10657.2 Ų57.250%0.49528%0.284SS..Hα-helixtrans-62.2-44.2178.1-168.9-171.7164.400112.6P58 K59 K60 D65 K66P58-E62 PolarHBondContact O-N 2.97Å; P58-E62 VanDerWaalsContact O-N 3.1Å; K59-E62 PolarHBondContact O-N 2.78Å; K60-E62 VanDerWaalsContact C-N 3.35Å; K60-E62 PolarHBondContact O-N 2.77Å; E62-D65 PolarHBondContact O-N 2.78Å; E62-K66 HydrophobicContact CG-CD 4.45Å; E62-K66 WeakPolarHBondContact O-CG 3.18Å; E62-K66 PolarHBondContact O-N 2.9Å; E62-K66 VanDerWaalsContact O-N 3.15Å; E62-K66 IonicContact OE1-NZ 2.68Å; E62-K66 PolarHBondContact OE1-NZ 2.79Å
63I84Confident83.3Confident50 Ų5062 Ų6226%0.25631%0.305SS..Hα-helixtrans-63.2-45177.1-65.6167.5000110.2K59 K60 R61 D65 K66 Y67 G71 L72K59-I63 WeakPolarHBondContact O-CG1 3.48Å; K59-I63 PolarHBondContact O-N 2.99Å; K60-I63 PolarHBondContact O-N 3.48Å; R61-I63 PolarHBondContact O-N 2.57Å; I63-D65 PolarHBondContact O-N 3.03Å; I63-K66 PolarHBondContact O-N 2.87Å; I63-Y67 HydrophobicContact CG2-CD2 4.22Å; I63-Y67 PolarHBondContact O-N 2.7Å; I63-G71 WeakPolarHBondContact CG2-O 3.36Å; I63-L72 HydrophobicContact CB-CD2 4.16Å; I63-L72 HydrophobicContact CG2-CD2 3.88Å; I63-L72 HydrophobicContact CG2-CG 4.42Å
64Y88.6Confident81.6Confident18 Ų1862.3 Ų62.37%0.07132%0.316CS..Hα-helixtrans-61.9-42177.2179.7-105000112.6K3 D4 Y5 Y6 V54 L55 K60 R61 K66 G68 E69 L72K3-Y64 PolarHBondContact O-OH 2.72Å; D4-Y64 VanDerWaalsContact CA-OH 3.24Å; D4-Y64 WeakPolarHBondContact CA-OH 3.5Å; Y5-Y64 HydrophobicContact CD2-CD1 4.08Å; Y5-Y64 AromaticContact CD2-CD2 3.49Å; Y5-Y64 HydrophobicContact CD2-CD2 3.49Å; Y5-Y64 VanDerWaalsContact CD2-CD2 3.49Å; Y5-Y64 AromaticContact CD2-CE1 3.82Å; Y5-Y64 HydrophobicContact CD2-CE1 3.82Å; Y5-Y64 AromaticContact CD2-CE2 3.2Å; Y5-Y64 HydrophobicContact CD2-CE2 3.2Å; Y5-Y64 AromaticContact CD2-CG 3.92Å; Y5-Y64 HydrophobicContact CD2-CG 3.92Å; Y5-Y64 AromaticContact CD2-CZ 3.38Å; Y5-Y64 AromaticContact CE2-CD2 3.55Å; Y5-Y64 HydrophobicContact CE2-CD2 3.55Å; Y5-Y64 AromaticContact CE2-CE2 3.45Å; Y5-Y64 HydrophobicContact CE2-CE2 3.45Å; Y5-Y64 VanDerWaalsContact CE2-CE2 3.45Å; Y5-Y64 HydrophobicContact CE2-CG 4.29Å; Y5-Y64 HydrophobicContact CG-CE1 4.33Å; Y5-Y64 HydrophobicContact CG-CE2 4.03Å; Y5-Y64 AromaticContact CG-CZ 3.85Å; Y5-Y64 PolarHBondContact N-OH 3.02Å; Y6-Y64 AromaticContact CD2-CE1 3.88Å; Y6-Y64 HydrophobicContact CD2-CE1 3.88Å; Y6-Y64 HydrophobicContact CE2-CD1 4.03Å; Y6-Y64 AromaticContact CE2-CE1 3.69Å; Y6-Y64 HydrophobicContact CE2-CE1 3.69Å; V54-Y64 HydrophobicContact CG1-CD2 4.43Å; V54-Y64 HydrophobicContact CG1-CG 4.07Å; L55-Y64 HydrophobicContact CD2-CD1 3.96Å; L55-Y64 HydrophobicContact CD2-CE1 4.34Å; K60-Y64 WeakPolarHBondContact O-CB 3.38Å; K60-Y64 PolarHBondContact O-N 3.18Å; R61-Y64 PolarHBondContact O-N 2.83Å; Y64-K66 VanDerWaalsContact C-N 3.25Å; Y64-K66 PolarHBondContact O-N 2.78Å; Y64-G68 VanDerWaalsContact CD2-C 3.49Å; Y64-G68 WeakPolarHBondContact O-CA 3.43Å; Y64-G68 PolarHBondContact O-N 2.62Å; Y64-E69 HydrophobicContact CE2-CB 4.49Å; Y64-L72 HydrophobicContact CD2-CD1 3.8Å; Y64-L72 HydrophobicContact CG-CD1 4.36Å
65D88.8Confident79.5Confident82 Ų8263.6 Ų63.644%0.43933%0.33SS..Hα-helixtrans-65.7-30.6179.1-73.5-22.4000111.9Y6 R61 E62 I63Y6-D65 VanDerWaalsContact CE2-OD1 3.26Å; Y6-D65 WeakPolarHBondContact CE2-OD1 3.42Å; Y6-D65 PolarHBondContact OH-OD1 3.33Å; Y6-D65 PolarHBondContact OH-OD2 2.88Å; R61-D65 WeakPolarHBondContact O-CB 3.46Å; R61-D65 PolarHBondContact O-N 3.23Å; E62-D65 PolarHBondContact O-N 2.78Å; I63-D65 PolarHBondContact O-N 3.03Å
66K84.7Confident77Confident131 Ų13168 Ų6857%0.5736%0.358SS*.Hα-helixtrans-83.4-42.2178.1-75.1175.1175169.30113.9E62 I63 Y64E62-K66 HydrophobicContact CG-CD 4.45Å; E62-K66 WeakPolarHBondContact O-CG 3.18Å; E62-K66 PolarHBondContact O-N 2.9Å; E62-K66 VanDerWaalsContact O-N 3.15Å; E62-K66 IonicContact OE1-NZ 2.68Å; E62-K66 PolarHBondContact OE1-NZ 2.79Å; I63-K66 PolarHBondContact O-N 2.87Å; Y64-K66 VanDerWaalsContact C-N 3.25Å; Y64-K66 PolarHBondContact O-N 2.78Å
67Y82.7Confident74.4Confident158 Ų15873.7 Ų73.762%0.6239%0.392SS*.Hα-helixtrans-125.7-1-166.2-56.6-72.8000114.3I63 G71I63-Y67 HydrophobicContact CG2-CD2 4.22Å; I63-Y67 PolarHBondContact O-N 2.7Å; Y67-G71 PolarHBondContact O-N 2.82Å
68G85.3Confident72.1Confident25 Ų2575.2 Ų75.226%0.25841%0.407SS..Hα-helixtrans66.3-164.1-175.300000113.4Y64 E70 G71Y64-G68 VanDerWaalsContact CD2-C 3.49Å; Y64-G68 WeakPolarHBondContact O-CA 3.43Å; Y64-G68 PolarHBondContact O-N 2.62Å; G68-E70 PolarHBondContact O-N 2.98Å; G68-G71 PolarHBondContact O-N 2.86Å
69E81.3Confident69.4Low22 Ų2276 Ų7610%0.10342%0.415CS..Hα-helixtrans-59.8-33.7176.9-173.8-170.8177.200112G2 K3 Y64 G71 L72 K73G2-E69 WeakPolarHBondContact CA-OE2 3.43Å; K3-E69 WeakPolarHBondContact CG-OE2 3.4Å; K3-E69 PolarHBondContact N-OE2 2.67Å; Y64-E69 HydrophobicContact CE2-CB 4.49Å; E69-G71 VanDerWaalsContact C-N 3.33Å; E69-G71 PolarHBondContact O-N 3.31Å; E69-L72 WeakPolarHBondContact O-CB 3.47Å; E69-L72 PolarHBondContact O-N 3.47Å; E69-L72 VanDerWaalsContact O-N 3.13Å; E69-K73 HydrophobicContact CG-CD 4.31Å; E69-K73 PolarHBondContact O-N 2.87Å; E69-K73 WeakPolarHBondContact OE1-CE 3.32Å; E69-K73 IonicContact OE1-NZ 2.66Å; E69-K73 PolarHBondContact OE1-NZ 2.8Å
70E74.6Confident66.9Low137 Ų13779.3 Ų79.364%0.6443%0.433SS*.Hα-helixtrans-64.7-37-177.4-66.7-178.6-175.100111.6G68 L72 K73 G74G68-E70 PolarHBondContact O-N 2.98Å; E70-L72 VanDerWaalsContact C-N 3.3Å; E70-L72 PolarHBondContact O-N 2.83Å; E70-K73 PolarHBondContact O-N 3.04Å; E70-G74 WeakPolarHBondContact O-CA 3.43Å; E70-G74 PolarHBondContact O-N 2.85Å
71G71.8Confident64.2Low17 Ų1781.7 Ų81.718%0.17547%0.47CS..Hα-helixtrans-77.4-10.2175.100000115.5I63 Y67 G68 E69I63-G71 WeakPolarHBondContact CG2-O 3.36Å; Y67-G71 PolarHBondContact O-N 2.82Å; G68-G71 PolarHBondContact O-N 2.86Å; E69-G71 VanDerWaalsContact C-N 3.33Å; E69-G71 PolarHBondContact O-N 3.31Å
72L70.4Confident61.4Low4 Ų482.8 Ų82.82%0.02149%0.494CS..Hα-helixtrans-82.7-37.2169.5-69.1169.9000111.3Y5 V54 I63 Y64 E69 E70 Y87Y5-L72 HydrophobicContact CE2-CD1 3.83Å; V54-L72 HydrophobicContact CB-CD1 4.37Å; V54-L72 HydrophobicContact CG1-CD1 3.62Å; V54-L72 HydrophobicContact CG2-CD1 3.78Å; I63-L72 HydrophobicContact CB-CD2 4.16Å; I63-L72 HydrophobicContact CG2-CD2 3.88Å; I63-L72 HydrophobicContact CG2-CG 4.42Å; Y64-L72 HydrophobicContact CD2-CD1 3.8Å; Y64-L72 HydrophobicContact CG-CD1 4.36Å; E69-L72 WeakPolarHBondContact O-CB 3.47Å; E69-L72 PolarHBondContact O-N 3.47Å; E69-L72 VanDerWaalsContact O-N 3.13Å; E70-L72 VanDerWaalsContact C-N 3.3Å; E70-L72 PolarHBondContact O-N 2.83Å; L72-Y87 HydrophobicContact CB-CD1 3.89Å; L72-Y87 HydrophobicContact CB-CG 4.38Å; L72-Y87 HydrophobicContact CD1-CD1 4.42Å; L72-Y87 HydrophobicContact CD2-CG 4.45Å; L72-Y87 WeakPolarHBondContact O-CB 3.31Å; L72-Y87 PolarHBondContact O-N 2.73Å; L72-Y87 VanDerWaalsContact O-N 3.12Å
73K66.4Low58.9Low117 Ų11786.6 Ų86.651%0.50951%0.512SS..Hα-helixtrans-88.6-33.8-177-69.6180175174.50113.1E69 E70E69-K73 HydrophobicContact CG-CD 4.31Å; E69-K73 PolarHBondContact O-N 2.87Å; E69-K73 WeakPolarHBondContact OE1-CE 3.32Å; E69-K73 IonicContact OE1-NZ 2.66Å; E69-K73 PolarHBondContact OE1-NZ 2.8Å; E70-K73 PolarHBondContact O-N 3.04Å
74G52.5Low56.8Low39 Ų3987.1 Ų87.140%0.40253%0.53SS..SBendtrans-97.8105.4173.400000109.4E70E70-G74 WeakPolarHBondContact O-CA 3.43Å; E70-G74 PolarHBondContact O-N 2.85Å
75G44.5Very low54.9Low28 Ų2893.4 Ų93.429%0.28955%0.554SS.*  trans-53.3144.5165.800000109.4T77G75-T77 PolarHBondContact O-N 3.37Å
76P39.3Very low53.2Low93 Ų9394.1 Ų94.160%0.60456%0.562SS**  trans-59.4111.6-176.322.2-30.9000109.6S78P76-S78 PolarHBondContact O-N 2.9Å
77T32.7Very low52.1Low150 Ų15089.3 Ų89.392%0.9254%0.54SS*.  trans-7571.9166.853.50000107.9G75G75-T77 PolarHBondContact O-N 3.37Å
78S35.7Very low51.2Low88 Ų8887.1 Ų87.162%0.61554%0.544SS*.  trans-126.3118.4166.452.30000107.3P76P76-S78 PolarHBondContact O-N 2.9Å
79S30.2Very low50.4Low121 Ų12187.3 Ų87.385%0.84654%0.538SS*.  trans-27.7145.3155.1-80.60000111.6
80E30.5Very low49.7Very low193 Ų19389.6 Ų89.690%0.90255%0.548SS*.SBendtrans9777.4169.1-139.1161.1176.100115.4G82E80-G82 PolarHBondContact O-N 2.85Å
81G28.8Very low49.3Very low95 Ų9585.1 Ų85.198%0.97954%0.539SS*.SBendtrans70.65.1134.200000121.2
82G29.7Very low49.5Very low64 Ų6487.8 Ų87.866%0.6655%0.549SS*.  trans-105.3138.3-177.700000114.8E80 G84E80-G82 PolarHBondContact O-N 2.85Å; G82-G84 PolarHBondContact O-N 2.91Å; G82-G84 VanDerWaalsContact O-N 3.09Å
83Q35Very low50Low186 Ų18688.5 Ų88.587%0.86955%0.554SS**  trans-52.1113.2172.6-85.6175.6-8.600111.3Y85Q83-Y85 PolarHBondContact O-N 3.27Å
84G40.1Very low50.7Low62 Ų6288.7 Ų88.764%0.63955%0.552SS**  trans-69.3125.6179.300000112.4G82G82-G84 PolarHBondContact O-N 2.91Å; G82-G84 VanDerWaalsContact O-N 3.09Å
85Y47.2Very low52Low149 Ų14990.7 Ų90.758%0.58455%0.55SS**  trans-87.7112.8167.5-87.6-89.3000109.1Q83Q83-Y85 PolarHBondContact O-N 3.27Å
86T55Low53.6Low98 Ų9889.6 Ų89.660%0.60154%0.538SS*.  trans-108.5117.5169.6-57.80000108.3
87Y60.8Low55.7Low29 Ų2985.2 Ų85.211%0.11451%0.51CS..  trans-88.3121.7173.7167.8-100.8000110.1D53 V54 K60 L72 F89D53-Y87 VanDerWaalsContact OD2-CE2 3.25Å; D53-Y87 WeakPolarHBondContact OD2-CE2 3.29Å; D53-Y87 PolarHBondContact OD2-OH 3.04Å; D53-Y87 VanDerWaalsContact OD2-OH 3.08Å; V54-Y87 HydrophobicContact CG2-CE1 3.72Å; V54-Y87 HydrophobicContact CG2-CE2 4.25Å; V54-Y87 WeakPolarHBondContact CG2-OH 3.43Å; K60-Y87 HydrophobicContact CD-CD2 3.91Å; K60-Y87 HydrophobicContact CD-CE2 3.9Å; L72-Y87 HydrophobicContact CB-CD1 3.89Å; L72-Y87 HydrophobicContact CB-CG 4.38Å; L72-Y87 HydrophobicContact CD1-CD1 4.42Å; L72-Y87 HydrophobicContact CD2-CG 4.45Å; L72-Y87 WeakPolarHBondContact O-CB 3.31Å; L72-Y87 PolarHBondContact O-N 2.73Å; L72-Y87 VanDerWaalsContact O-N 3.12Å; Y87-F89 HydrophobicContact CE1-CB 4.2Å; Y87-F89 WeakPolarHBondContact OH-CD2 3.2Å
88T64.2Low58.1Low113 Ų11384.8 Ų84.869%0.69349%0.491SS*.  trans-118.5114.5168.5-54.20000107.2H90T88-H90 PolarHBondContact O-N 2.68Å
89F68Low60Low28 Ų2886.9 Ų86.912%0.12349%0.493CS..  trans-55.4130.1169.4-179.5-116.8000108.3K46 A49 E50 D53 Y87 G91K46-F89 HydrophobicContact CG-CE1 4.36Å; A49-F89 HydrophobicContact CB-CE2 4.41Å; A49-F89 HydrophobicContact CB-CZ 3.94Å; E50-F89 HydrophobicContact CB-CD2 4.21Å; E50-F89 HydrophobicContact CB-CE2 4.13Å; E50-F89 HydrophobicContact CB-CG 4.46Å; E50-F89 HydrophobicContact CB-CZ 4.33Å; E50-F89 HydrophobicContact CG-CB 4.48Å; E50-F89 HydrophobicContact CG-CD2 4.19Å; E50-F89 HydrophobicContact CG-CG 4.21Å; D53-F89 HydrophobicContact CB-CD2 4.38Å; D53-F89 HydrophobicContact CB-CE2 4.26Å; Y87-F89 HydrophobicContact CE1-CB 4.2Å; Y87-F89 WeakPolarHBondContact OH-CD2 3.2Å; F89-G91 PolarHBondContact O-N 2.83Å
90H66.8Low62.5Low70 Ų7082.1 Ų82.132%0.32446%0.457SS..  trans-57.9-7.7-177.256.718.2000114.2T88 D92 E95 T96T88-H90 PolarHBondContact O-N 2.68Å; H90-D92 PolarHBondContact CE1-O 3.06Å; H90-D92 PolarHBondContact ND1-N 2.96Å; H90-D92 PolarHBondContact O-N 2.86Å; H90-E95 IonicContact CD2-OE2 2.71Å; H90-E95 PolarHBondContact CD2-OE2 3.04Å; H90-E95 VanDerWaalsContact CD2-OE2 3.3Å; H90-E95 IonicContact CG-OE2 3.54Å; H90-T96 PolarHBondContact CE1-OG1 3.27Å; H90-T96 PolarHBondContact NE2-OG1 3.31Å
91G65.8Low64.9Low44 Ų4474 Ų7445%0.45442%0.419SS..SBendtrans85.2-16.2171.600000114.3F89 P93F89-G91 PolarHBondContact O-N 2.83Å; G91-P93 WeakPolarHBondContact O-CD 3.4Å
92D75.5Confident67Low72 Ų7272.3 Ų72.339%0.38540%0.402SS..  trans-108.4100.7-178.4-168-5000113.3H90 R94 E95H90-D92 PolarHBondContact CE1-O 3.06Å; H90-D92 PolarHBondContact ND1-N 2.96Å; H90-D92 PolarHBondContact O-N 2.86Å; D92-R94 PolarHBondContact O-N 3.43Å; D92-R94 VanDerWaalsContact OD1-CB 3.28Å; D92-R94 WeakPolarHBondContact OD1-CB 2.87Å; D92-R94 PolarHBondContact OD1-N 3.21Å; D92-E95 HydrophobicContact CB-CB 4.12Å; D92-E95 WeakPolarHBondContact O-CB 3.43Å; D92-E95 PolarHBondContact O-N 3.32Å
93P80.4Confident69.1Low19 Ų1972.2 Ų72.212%0.12339%0.388CS..Hα-helixtrans-59.5-26.4175.6-24.136.5000113.8F45 K46 A49 G91 E95 F97F45-P93 HydrophobicContact CD1-CB 3.52Å; F45-P93 HydrophobicContact CD1-CG 4.45Å; F45-P93 HydrophobicContact CE1-CB 3.56Å; K46-P93 HydrophobicContact CB-CG 3.79Å; K46-P93 HydrophobicContact CG-CG 3.86Å; A49-P93 HydrophobicContact CB-CB 3.73Å; G91-P93 WeakPolarHBondContact O-CD 3.4Å; P93-E95 VanDerWaalsContact C-N 3.3Å; P93-F97 WeakPolarHBondContact O-CB 3.48Å; P93-F97 PolarHBondContact O-N 2.88Å; P93-F97 VanDerWaalsContact O-N 3.1Å
94R81.4Confident70.7Confident122 Ų12267.1 Ų67.146%0.4637%0.367SS..Hα-helixtrans-71.1-29.5177.9-65.8-178.2160.3177.8-7.3111.3D92 F97 R98D92-R94 PolarHBondContact O-N 3.43Å; D92-R94 VanDerWaalsContact OD1-CB 3.28Å; D92-R94 WeakPolarHBondContact OD1-CB 2.87Å; D92-R94 PolarHBondContact OD1-N 3.21Å; R94-F97 WeakPolarHBondContact O-CB 3.21Å; R94-F97 PolarHBondContact O-N 3.07Å; R94-R98 WeakPolarHBondContact O-CB 3.33Å; R94-R98 VanDerWaalsContact O-CG 3.25Å; R94-R98 WeakPolarHBondContact O-CG 3.48Å; R94-R98 PolarHBondContact O-N 3.42Å
95E80Confident72Confident80 Ų8066.9 Ų66.937%0.37435%0.351SS..Hα-helixtrans-65.6-48.6175.1-162.7-176.1174.800110.7H90 D92 P93 F97 R98 M99H90-E95 IonicContact CD2-OE2 2.71Å; H90-E95 PolarHBondContact CD2-OE2 3.04Å; H90-E95 VanDerWaalsContact CD2-OE2 3.3Å; H90-E95 IonicContact CG-OE2 3.54Å; D92-E95 HydrophobicContact CB-CB 4.12Å; D92-E95 WeakPolarHBondContact O-CB 3.43Å; D92-E95 PolarHBondContact O-N 3.32Å; P93-E95 VanDerWaalsContact C-N 3.3Å; E95-F97 PolarHBondContact O-N 3.24Å; E95-R98 PolarHBondContact O-N 3.22Å; E95-M99 HydrophobicContact CG-CE 3.65Å; E95-M99 WeakPolarHBondContact O-CB 3.39Å; E95-M99 VanDerWaalsContact O-CG 3.28Å; E95-M99 WeakPolarHBondContact O-CG 3.45Å; E95-M99 PolarHBondContact O-N 3.34Å; E95-M99 WeakPolarHBondContact OE1-CE 3.5Å
96T78.8Confident72.9Confident5 Ų561.2 Ų61.23%0.03133%0.332CS..Hα-helixtrans-57.2-41173.9-430000111.5Y24 A49 Y52 H90 M99 F100Y24-T96 HydrophobicContact CE2-CG2 4.33Å; A49-T96 HydrophobicContact CB-CG2 4.31Å; Y52-T96 HydrophobicContact CD1-CG2 3.8Å; H90-T96 PolarHBondContact CE1-OG1 3.27Å; H90-T96 PolarHBondContact NE2-OG1 3.31Å; T96-M99 PolarHBondContact O-N 2.77Å; T96-F100 WeakPolarHBondContact O-CB 3.35Å; T96-F100 PolarHBondContact O-N 2.71Å
97F83.9Confident73.4Confident2 Ų258.5 Ų58.51%0.00931%0.312CS..Hα-helixtrans-63.9-47.7177.4-172.7-90.2000112.1Y24 A28 L29 H32 F45 P93 R94 E95 M99 F100 F101 D104 P106Y24-F97 VanDerWaalsContact OH-CA 3.29Å; Y24-F97 WeakPolarHBondContact OH-CA 3.49Å; Y24-F97 PolarHBondContact OH-N 2.81Å; A28-F97 HydrophobicContact CB-CD2 3.99Å; A28-F97 HydrophobicContact CB-CE2 4.07Å; L29-F97 HydrophobicContact CD2-CE2 4.49Å; L29-F97 HydrophobicContact CD2-CZ 4.42Å; H32-F97 AromaticContact CD2-CE2 3.57Å; H32-F97 AromaticContact CD2-CZ 3.56Å; H32-F97 AromaticContact NE2-CE1 3.84Å; H32-F97 AromaticContact NE2-CZ 3.81Å; F45-F97 AromaticContact CE2-CD2 3.79Å; F45-F97 HydrophobicContact CE2-CD2 3.79Å; F45-F97 HydrophobicContact CE2-CE2 4.32Å; F45-F97 HydrophobicContact CZ-CB 3.91Å; F45-F97 AromaticContact CZ-CD2 3.66Å; F45-F97 HydrophobicContact CZ-CD2 3.66Å; F45-F97 HydrophobicContact CZ-CE2 4.44Å; F45-F97 AromaticContact CZ-CG 3.98Å; F45-F97 HydrophobicContact CZ-CG 3.98Å; P93-F97 WeakPolarHBondContact O-CB 3.48Å; P93-F97 PolarHBondContact O-N 2.88Å; P93-F97 VanDerWaalsContact O-N 3.1Å; R94-F97 WeakPolarHBondContact O-CB 3.21Å; R94-F97 PolarHBondContact O-N 3.07Å; E95-F97 PolarHBondContact O-N 3.24Å; F97-M99 PolarHBondContact O-N 2.87Å; F97-F100 PolarHBondContact O-N 2.87Å; F97-F100 VanDerWaalsContact O-N 3.16Å; F97-F101 AromaticContact CD1-CD2 3.89Å; F97-F101 HydrophobicContact CD1-CD2 3.89Å; F97-F101 AromaticContact CD2-CD2 3.52Å; F97-F101 HydrophobicContact CD2-CD2 3.52Å; F97-F101 AromaticContact CD2-CE2 3.51Å; F97-F101 HydrophobicContact CD2-CE2 3.51Å; F97-F101 HydrophobicContact CE1-CB 4.35Å; F97-F101 AromaticContact CE1-CD2 3.75Å; F97-F101 HydrophobicContact CE1-CD2 3.75Å; F97-F101 HydrophobicContact CE1-CE2 4.42Å; F97-F101 HydrophobicContact CE1-CG 4.23Å; F97-F101 AromaticContact CE2-CD2 3.37Å; F97-F101 HydrophobicContact CE2-CD2 3.37Å; F97-F101 AromaticContact CE2-CE2 3.2Å; F97-F101 HydrophobicContact CE2-CE2 3.2Å; F97-F101 HydrophobicContact CE2-CG 4.39Å; F97-F101 HydrophobicContact CE2-CZ 4.09Å; F97-F101 AromaticContact CG-CD2 3.79Å; F97-F101 HydrophobicContact CG-CD2 3.79Å; F97-F101 HydrophobicContact CG-CE2 4.24Å; F97-F101 AromaticContact CZ-CD2 3.49Å; F97-F101 HydrophobicContact CZ-CD2 3.49Å; F97-F101 VanDerWaalsContact CZ-CD2 3.49Å; F97-F101 AromaticContact CZ-CE2 3.72Å; F97-F101 HydrophobicContact CZ-CE2 3.72Å; F97-F101 HydrophobicContact CZ-CG 4.12Å; F97-F101 HydrophobicContact CZ-CZ 4.47Å; F97-F101 WeakPolarHBondContact O-CD2 3.37Å; F97-F101 PolarHBondContact O-N 2.79Å; F97-D104 WeakPolarHBondContact CE1-O 3.08Å; F97-P106 HydrophobicContact CE1-CG 4.22Å; F97-P106 HydrophobicContact CZ-CG 3.82Å
98R81.9Confident73.2Confident140 Ų14059.7 Ų59.753%0.52833%0.325SS..Hα-helixtrans-62.9-40175.9-74.8176.769.2178-1.4112.3R94 E95 F100 G102 D104R94-R98 WeakPolarHBondContact O-CB 3.33Å; R94-R98 VanDerWaalsContact O-CG 3.25Å; R94-R98 WeakPolarHBondContact O-CG 3.48Å; R94-R98 PolarHBondContact O-N 3.42Å; E95-R98 PolarHBondContact O-N 3.22Å; R98-F100 PolarHBondContact O-N 2.8Å; R98-G102 WeakPolarHBondContact O-CA 3.21Å; R98-G102 PolarHBondContact O-N 2.83Å; R98-D104 WeakPolarHBondContact CD-OD1 3.04Å; R98-D104 WeakPolarHBondContact CD-OD2 3.37Å; R98-D104 WeakPolarHBondContact CG-OD1 3.29Å; R98-D104 IonicContact NE-OD2 2.91Å
99M76.9Confident72.6Confident133 Ų13357 Ų5766%0.65532%0.319SS*.Hα-helixtrans-62.2-36.8175.4-71.5-167.6-163.700111.1E95 T96 F97E95-M99 HydrophobicContact CG-CE 3.65Å; E95-M99 WeakPolarHBondContact O-CB 3.39Å; E95-M99 VanDerWaalsContact O-CG 3.28Å; E95-M99 WeakPolarHBondContact O-CG 3.45Å; E95-M99 PolarHBondContact O-N 3.34Å; E95-M99 WeakPolarHBondContact OE1-CE 3.5Å; T96-M99 PolarHBondContact O-N 2.77Å; F97-M99 PolarHBondContact O-N 2.87Å
100F81.9Confident71.6Confident20 Ų2063.1 Ų63.19%0.08835%0.346CS..Hα-helixtrans-79.3-46.3-179.8-172.8-88.9000114K21 Y24 R25 Y52 T96 F97 R98K21-F100 HydrophobicContact CB-CE2 4.06Å; K21-F100 HydrophobicContact CB-CZ 4.27Å; K21-F100 HydrophobicContact CG-CE2 4.1Å; K21-F100 VanDerWaalsContact O-CZ 3.29Å; K21-F100 WeakPolarHBondContact O-CZ 3.5Å; Y24-F100 HydrophobicContact CD1-CB 4.16Å; Y24-F100 AromaticContact CD1-CD1 3.81Å; Y24-F100 HydrophobicContact CD1-CD1 3.81Å; Y24-F100 AromaticContact CD1-CD2 3.41Å; Y24-F100 HydrophobicContact CD1-CD2 3.41Å; Y24-F100 VanDerWaalsContact CD1-CD2 3.41Å; Y24-F100 HydrophobicContact CD1-CE1 4.01Å; Y24-F100 AromaticContact CD1-CE2 3.61Å; Y24-F100 HydrophobicContact CD1-CE2 3.61Å; Y24-F100 AromaticContact CD1-CG 3.51Å; Y24-F100 HydrophobicContact CD1-CG 3.51Å; Y24-F100 AromaticContact CD1-CZ 3.91Å; Y24-F100 HydrophobicContact CD1-CZ 3.91Å; Y24-F100 HydrophobicContact CE1-CB 3.5Å; Y24-F100 VanDerWaalsContact CE1-CB 3.5Å; Y24-F100 AromaticContact CE1-CD1 3.76Å; Y24-F100 HydrophobicContact CE1-CD1 3.76Å; Y24-F100 AromaticContact CE1-CD2 3.68Å; Y24-F100 HydrophobicContact CE1-CD2 3.68Å; Y24-F100 HydrophobicContact CE1-CE1 4.4Å; Y24-F100 HydrophobicContact CE1-CE2 4.33Å; Y24-F100 AromaticContact CE1-CG 3.35Å; Y24-F100 HydrophobicContact CE1-CG 3.35Å; R25-F100 HydrophobicContact CB-CE1 3.75Å; R25-F100 HydrophobicContact CB-CZ 3.88Å; R25-F100 HydrophobicContact CG-CE1 4.12Å; Y52-F100 AromaticContact CE1-CD2 3.78Å; Y52-F100 HydrophobicContact CE1-CD2 3.78Å; Y52-F100 HydrophobicContact CE1-CE2 4.47Å; Y52-F100 HydrophobicContact CE2-CD2 4.17Å; Y52-F100 HydrophobicContact CE2-CE2 4.05Å; Y52-F100 AromaticContact CZ-CD2 3.51Å; Y52-F100 AromaticContact CZ-CE2 3.78Å; Y52-F100 WeakPolarHBondContact OH-CD2 3.46Å; T96-F100 WeakPolarHBondContact O-CB 3.35Å; T96-F100 PolarHBondContact O-N 2.71Å; F97-F100 PolarHBondContact O-N 2.87Å; F97-F100 VanDerWaalsContact O-N 3.16Å; R98-F100 PolarHBondContact O-N 2.8Å
101F80.4Confident70.4Confident23 Ų2368 Ų6810%0.10137%0.367CS..Hα-helixtrans-93.8-17.8-174.3-72.4-78.6000113.5Y24 R25 A28 L29 F97 T103 P106Y24-F101 HydrophobicContact CE1-CE2 4.32Å; R25-F101 HydrophobicContact CB-CZ 4.42Å; R25-F101 HydrophobicContact CG-CE1 3.95Å; R25-F101 HydrophobicContact CG-CZ 3.92Å; A28-F101 HydrophobicContact CB-CE2 4.1Å; L29-F101 HydrophobicContact CD1-CE1 4.41Å; L29-F101 HydrophobicContact CD1-CZ 4.36Å; L29-F101 HydrophobicContact CD2-CE1 4.05Å; L29-F101 HydrophobicContact CD2-CZ 3.85Å; L29-F101 HydrophobicContact CG-CE1 4.32Å; L29-F101 HydrophobicContact CG-CZ 3.9Å; F97-F101 AromaticContact CD1-CD2 3.89Å; F97-F101 HydrophobicContact CD1-CD2 3.89Å; F97-F101 AromaticContact CD2-CD2 3.52Å; F97-F101 HydrophobicContact CD2-CD2 3.52Å; F97-F101 AromaticContact CD2-CE2 3.51Å; F97-F101 HydrophobicContact CD2-CE2 3.51Å; F97-F101 HydrophobicContact CE1-CB 4.35Å; F97-F101 AromaticContact CE1-CD2 3.75Å; F97-F101 HydrophobicContact CE1-CD2 3.75Å; F97-F101 HydrophobicContact CE1-CE2 4.42Å; F97-F101 HydrophobicContact CE1-CG 4.23Å; F97-F101 AromaticContact CE2-CD2 3.37Å; F97-F101 HydrophobicContact CE2-CD2 3.37Å; F97-F101 AromaticContact CE2-CE2 3.2Å; F97-F101 HydrophobicContact CE2-CE2 3.2Å; F97-F101 HydrophobicContact CE2-CG 4.39Å; F97-F101 HydrophobicContact CE2-CZ 4.09Å; F97-F101 AromaticContact CG-CD2 3.79Å; F97-F101 HydrophobicContact CG-CD2 3.79Å; F97-F101 HydrophobicContact CG-CE2 4.24Å; F97-F101 AromaticContact CZ-CD2 3.49Å; F97-F101 HydrophobicContact CZ-CD2 3.49Å; F97-F101 VanDerWaalsContact CZ-CD2 3.49Å; F97-F101 AromaticContact CZ-CE2 3.72Å; F97-F101 HydrophobicContact CZ-CE2 3.72Å; F97-F101 HydrophobicContact CZ-CG 4.12Å; F97-F101 HydrophobicContact CZ-CZ 4.47Å; F97-F101 WeakPolarHBondContact O-CD2 3.37Å; F97-F101 PolarHBondContact O-N 2.79Å; F101-T103 PolarHBondContact O-N 2.83Å; F101-P106 HydrophobicContact CB-CB 4.42Å; F101-P106 HydrophobicContact CD1-CB 3.91Å; F101-P106 HydrophobicContact CD1-CG 3.95Å; F101-P106 HydrophobicContact CE1-CG 4.33Å; F101-P106 HydrophobicContact CG-CB 4.36Å; F101-P106 HydrophobicContact CG-CG 4.19Å
102G72.8Confident69.4Low60 Ų6071.6 Ų71.662%0.61938%0.38SS*.SBendtrans79-10-173.900000114.5R98R98-G102 WeakPolarHBondContact O-CA 3.21Å; R98-G102 PolarHBondContact O-N 2.83Å
103T74.3Confident67.8Low61 Ų6173 Ų7337%0.37440%0.396SS..SBendtrans-141.7159179.369.90000110.8F101 D105F101-T103 PolarHBondContact O-N 2.83Å; T103-D105 VanDerWaalsContact C-N 3.27Å; T103-D105 VanDerWaalsContact OG1-C 3.23Å; T103-D105 PolarHBondContact OG1-O 3.07Å
104D69.4Low65.6Low79 Ų7976.1 Ų76.142%0.42243%0.431SS..SBendtrans-73.3-21.2172.5-76.4-61.4000112.9F97 R98F97-D104 WeakPolarHBondContact CE1-O 3.08Å; R98-D104 WeakPolarHBondContact CD-OD1 3.04Å; R98-D104 WeakPolarHBondContact CD-OD2 3.37Å; R98-D104 WeakPolarHBondContact CG-OD1 3.29Å; R98-D104 IonicContact NE-OD2 2.91Å
105D67.6Low63.4Low57 Ų5773.9 Ų73.931%0.30545%0.446SS..  trans-139.897.4176.7-174.64.6000110.1T103 F107 S108T103-D105 VanDerWaalsContact C-N 3.27Å; T103-D105 VanDerWaalsContact OG1-C 3.23Å; T103-D105 PolarHBondContact OG1-O 3.07Å; D105-F107 PolarHBondContact O-N 2.66Å; D105-F107 WeakPolarHBondContact OD1-CA 3.43Å; D105-F107 WeakPolarHBondContact OD1-CB 3.34Å; D105-F107 WeakPolarHBondContact OD1-CD2 3.39Å; D105-F107 PolarHBondContact OD1-N 3.21Å; D105-S108 PolarHBondContact O-N 2.77Å; D105-S108 PolarHBondContact O-OG 3.29Å; D105-S108 PolarHBondContact OD1-N 2.81Å; D105-S108 WeakPolarHBondContact OD2-CB 3.41Å; D105-S108 PolarHBondContact OD2-N 2.8Å
106P66.3Low61.4Low30 Ų3080 Ų8020%0.19547%0.471CS..THydrogen-bonded Turntrans-67.3-11.517627.5-34.9000112.4L29 F97 F101L29-P106 HydrophobicContact CD2-CG 3.87Å; F97-P106 HydrophobicContact CE1-CG 4.22Å; F97-P106 HydrophobicContact CZ-CG 3.82Å; F101-P106 HydrophobicContact CB-CB 4.42Å; F101-P106 HydrophobicContact CD1-CB 3.91Å; F101-P106 HydrophobicContact CD1-CG 3.95Å; F101-P106 HydrophobicContact CE1-CG 4.33Å; F101-P106 HydrophobicContact CG-CB 4.36Å; F101-P106 HydrophobicContact CG-CG 4.19Å
107F63.7Low59.2Low42 Ų4291.7 Ų91.718%0.18452%0.515CS..THydrogen-bonded Turntrans-86.9-23.5175.8-54.9-77.2000112.6L29 D105 G109 F110L29-F107 HydrophobicContact CB-CZ 4.49Å; L29-F107 HydrophobicContact CD2-CE2 3.68Å; L29-F107 HydrophobicContact CD2-CZ 3.61Å; L29-F107 HydrophobicContact CG-CZ 4.42Å; D105-F107 PolarHBondContact O-N 2.66Å; D105-F107 WeakPolarHBondContact OD1-CA 3.43Å; D105-F107 WeakPolarHBondContact OD1-CB 3.34Å; D105-F107 WeakPolarHBondContact OD1-CD2 3.39Å; D105-F107 PolarHBondContact OD1-N 3.21Å; F107-G109 PolarHBondContact O-N 3.46Å; F107-F110 PolarHBondContact O-N 3.28Å
108S58.4Low56.9Low53 Ų5397 Ų9737%0.37155%0.552SS.*Hα-helixtrans-61.5-28.5-179.867.10000113.6D105 F110 T112D105-S108 PolarHBondContact O-N 2.77Å; D105-S108 PolarHBondContact O-OG 3.29Å; D105-S108 PolarHBondContact OD1-N 2.81Å; D105-S108 WeakPolarHBondContact OD2-CB 3.41Å; D105-S108 PolarHBondContact OD2-N 2.8Å; S108-F110 VanDerWaalsContact C-N 3.28Å; S108-F110 PolarHBondContact O-N 2.57Å; S108-T112 PolarHBondContact O-OG1 2.93Å
109G51.4Low54.6Low56 Ų5695.9 Ų95.958%0.57756%0.561SS**Hα-helixtrans-74.6-12.6175.300000114.7F107F107-G109 PolarHBondContact O-N 3.46Å
110F45.6Very low52.4Low158 Ų15897.1 Ų97.169%0.69358%0.575SS**Hα-helixtrans-95.8-22.1178.5-145.9-92.1000112.5F107 S108F107-F110 PolarHBondContact O-N 3.28Å; S108-F110 VanDerWaalsContact C-N 3.28Å; S108-F110 PolarHBondContact O-N 2.57Å
111F43Very low50.3Low171 Ų17199.7 Ų99.775%0.7561%0.608SS**Hα-helixtrans-93.5-9.6-178.7-85.1-87.3000114.6
112T43.7Very low48.1Very low121 Ų121106.3 Ų106.374%0.74264%0.639SS**SBendtrans-105.2-0.1-170.142.30000115S108S108-T112 PolarHBondContact O-OG1 2.93Å
113S42.3Very low46.5Very low102 Ų102109.4 Ų109.471%0.71365%0.648SS**SBendtrans-118.5111.6173.1-176.40000110.1
114G34.9Very low45.2Very low84 Ų84113.5 Ų113.587%0.86667%0.665SS**  trans-54.5141.3-167.200000116
115G33.8Very low44Very low74 Ų74114.5 Ų114.576%0.76367%0.671SS**  trans151.898.5161.200000115
116K38.9Very low42.9Very low210 Ų210115 Ų11591%0.91368%0.675SS**  trans81.7108.4162.3-63.6-175.6174.6-178.50118.4
117R31.3Very low41.9Very low250 Ų250118.6 Ų118.694%0.94369%0.693SS**  trans-43.2127.2157.2-75.8172.8167.9170.6-4.5111.7
118S36.3Very low41.1Very low112 Ų112123.8 Ų123.878%0.78372%0.723SS**  trans-137116.2145.8-79.40000109.1
119T33.4Very low40.4Very low117 Ų117125.9 Ų125.972%0.71873%0.725SS**  trans30.7108.2151.222.50000119.6G121T119-G121 PolarHBondContact O-N 2.86Å
120V31.6Very low40.2Very low159 Ų159127.7 Ų127.796%0.96472%0.717SS**THydrogen-bonded Turntrans-57.1113.9157.4175.60000108.6
121G38.2Very low40.1Very low75 Ų75123.9 Ų123.977%0.77372%0.723SS**THydrogen-bonded Turntrans144.1-11163.200000118.8T119T119-G121 PolarHBondContact O-N 2.86Å
122E33.1Very low40.1Very low161 Ų161118.4 Ų118.475%0.75271%0.714SS**  trans-104.4136-177.6-72.4-169.1112.900113.3M124E122-M124 PolarHBondContact O-N 2.77Å
123P38.7Very low40Very low125 Ų125118.8 Ų118.881%0.81272%0.722SS**  trans-66.7105.9176.627.2-31.9000109.1N125P123-N125 PolarHBondContact O-N 2.89Å; P123-N125 VanDerWaalsContact O-N 3.13Å
124M46.8Very low40Very low147 Ų147118.6 Ų118.672%0.72472%0.719SS**  trans-57.3120.3178.1-64.4-145.4-64.800110.4E122 V126E122-M124 PolarHBondContact O-N 2.77Å; M124-V126 PolarHBondContact O-N 2.82Å
125N44.6Very low40.3Very low101 Ų101121.2 Ų121.254%0.5471%0.706SS.*  trans-67.5122.2179.6-159.8-17.7000108.9P123 D127 D128P123-N125 PolarHBondContact O-N 2.89Å; P123-N125 VanDerWaalsContact O-N 3.13Å; N125-D127 PolarHBondContact O-N 2.87Å; N125-D127 VanDerWaalsContact O-N 3.16Å; N125-D128 PolarHBondContact O-N 2.86Å; N125-D128 VanDerWaalsContact O-N 3.15Å
126V45.3Very low40.4Very low67 Ų67121.7 Ų121.741%0.40671%0.711SS.*Hα-helixtrans-56.7-35.4-177.8-58.90000109.9M124 D128 F129 F130M124-V126 PolarHBondContact O-N 2.82Å; V126-D128 VanDerWaalsContact C-N 3.27Å; V126-D128 PolarHBondContact O-N 2.74Å; V126-F129 PolarHBondContact O-N 2.73Å; V126-F129 VanDerWaalsContact O-N 3.13Å; V126-F130 HydrophobicContact CB-CE2 3.94Å; V126-F130 WeakPolarHBondContact O-CD2 3.41Å; V126-F130 WeakPolarHBondContact O-CE2 3.36Å
127D44.8Very low40.4Very low106 Ų106113.9 Ų113.957%0.56769%0.69SS**Hα-helixtrans-64.9-24.1-176.8-65.6-44.8000114.3N125 F130N125-D127 PolarHBondContact O-N 2.87Å; N125-D127 VanDerWaalsContact O-N 3.16Å; D127-F130 WeakPolarHBondContact O-CB 3.49Å; D127-F130 PolarHBondContact O-N 2.82Å
128D46.5Very low40.8Very low150 Ų150109.8 Ų109.880%0.80268%0.68SS**Hα-helixtrans-79-18.4177.5-100.5-24000113.4N125 V126 F130N125-D128 PolarHBondContact O-N 2.86Å; N125-D128 VanDerWaalsContact O-N 3.15Å; V126-D128 VanDerWaalsContact C-N 3.27Å; V126-D128 PolarHBondContact O-N 2.74Å; D128-F130 VanDerWaalsContact C-N 3.29Å
129F44.2Very low40.6Very low97 Ų97112 Ų11243%0.42568%0.676SS.*Hα-helixtrans-79.4-15.5168.4-172.4-101.2000111.9V126V126-F129 PolarHBondContact O-N 2.73Å; V126-F129 VanDerWaalsContact O-N 3.13Å
130F48Very low40.9Very low94 Ų94114.5 Ų114.541%0.41268%0.679SS.*SBendtrans-94.84-167.9-77.7-126.9000113.6V126 D127 D128V126-F130 HydrophobicContact CB-CE2 3.94Å; V126-F130 WeakPolarHBondContact O-CD2 3.41Å; V126-F130 WeakPolarHBondContact O-CE2 3.36Å; D127-F130 WeakPolarHBondContact O-CB 3.49Å; D127-F130 PolarHBondContact O-N 2.82Å; D128-F130 VanDerWaalsContact C-N 3.29Å
131G42.5Very low41.1Very low79 Ų79112.1 Ų112.181%0.81467%0.665SS**SBendtrans-87.8-4.4-173.400000117.5
132G42.5Very low41Very low55 Ų55119.4 Ų119.457%0.56767%0.669SS**SBendtrans-139.5115-17700000112P134G132-P134 VanDerWaalsContact O-CD 3.25Å; G132-P134 WeakPolarHBondContact O-CD 3.42Å
133S42.2Very low41.1Very low130 Ų130119 Ų11991%0.90967%0.672SS**  trans-52.7133.9177.6-580000113.2
134P42.1Very low41.1Very low98 Ų98118.7 Ų118.764%0.63667%0.668SS**  trans-146.889.7136.934.5-13.7000109.8G132G132-P134 VanDerWaalsContact O-CD 3.25Å; G132-P134 WeakPolarHBondContact O-CD 3.42Å
135F41.2Very low40.8Very low138 Ų138114.4 Ų114.461%0.60566%0.661SS**  trans-167.489.2159.3-119-81.4000110.3
136G35.3Very low40.5Very low84 Ų84116.3 Ų116.387%0.86668%0.679SS**  trans-124.7111.1159.900000107.4
137G38.8Very low40.3Very low46 Ų46118.9 Ų118.947%0.47470%0.695SS.*  trans144.9120166.400000116.3
138F40Very low40.1Very low165 Ų165118.1 Ų118.172%0.72471%0.712SS**  trans90.481.7145.5-61.8-80.6000120.2
139F32.4Very low40.1Very low159 Ų159114 Ų11470%0.69771%0.705SS**  trans-93.6118.3131.8-109.1-96.9000107.7
140E39.8Very low40.6Very low168 Ų168121.1 Ų121.179%0.78573%0.729SS**  trans-158.497.3151.4-152.7168.5173.400111.1
141T36.1Very low41.2Very low110 Ų110126.2 Ų126.268%0.67575%0.751SS**  trans40.4132.4137.610.80000124.7
142R35.6Very low42.7Very low228 Ų228125.2 Ų125.286%0.8674%0.735SS**  trans82.7109.7140.4-82.2177.6-174.1171.72.6121.5
143N36.3Very low44.8Very low151 Ų151129.3 Ų129.381%0.80774%0.74SS**  76.9137.6115.9-144.125.3000120.3
144V37.4Very low47.1Very low120 Ų120126.9 Ų126.973%0.72771%0.714SS**  trans91.9102.1156.3-162.40000119.2
145G40.7Very low49.5Very low57 Ų57124 Ų12459%0.58869%0.693SS**  trans90.8142.5136.300000118.4T147G145-T147 VanDerWaalsContact C-N 3.29Å; G145-T147 PolarHBondContact O-N 2.83Å
146P38.2Very low52Low140 Ų140122.3 Ų122.391%0.90970%0.696SS**  trans-78.784.1169.334.2-28.9000108
147T42.1Very low54.9Low122 Ų122121.3 Ų121.375%0.74867%0.674SS**  trans-122.9121.2162.9380000107.1G145 G149G145-T147 VanDerWaalsContact C-N 3.29Å; G145-T147 PolarHBondContact O-N 2.83Å; T147-G149 PolarHBondContact O-N 2.61Å
148G40.5Very low57.6Low90 Ų90122 Ų12293%0.92867%0.666SS**  trans-66.766.1-177.500000113.1R150G148-R150 PolarHBondContact O-N 2.82Å
149G46.3Very low60.2Low63 Ų63120.1 Ų120.165%0.64966%0.655SS**  trans-68.9110.8168.500000108.8T147 K151T147-G149 PolarHBondContact O-N 2.61Å; G149-K151 PolarHBondContact O-N 3.3Å
150R55.5Low63.2Low246 Ų246116.3 Ų116.393%0.92864%0.639SS**  trans-51109.9165.6-78.9178162.2165.2-4.8107.5G148 A152G148-R150 PolarHBondContact O-N 2.82Å; R150-A152 PolarHBondContact O-N 2.93Å; R150-A152 VanDerWaalsContact O-N 3.1Å
151K60.2Low65.9Low202 Ų202113 Ų11388%0.87863%0.627SS**PPolyproline II helixtrans-52.9121.9167.1-75.9-174176.8-177.30106.3G149 Q153G149-K151 PolarHBondContact O-N 3.3Å; K151-Q153 PolarHBondContact O-N 3.16Å
152A73.1Confident68.8Low57 Ų57108.1 Ų108.147%0.47160%0.597SS.*PPolyproline II helixtrans-55127.5179.500000108.6R150 I226R150-A152 PolarHBondContact O-N 2.93Å; R150-A152 VanDerWaalsContact O-N 3.1Å; A152-I226 HydrophobicContact CB-CD1 4.11Å; A152-I226 HydrophobicContact CB-CG1 3.88Å
153Q87.2Confident71.7Confident142 Ų142100.1 Ų100.166%0.66458%0.576SS**PPolyproline II helixtrans-70.6132.5179.8-176.8172-4.800108.6K151 N225 I226K151-Q153 PolarHBondContact O-N 3.16Å; Q153-N225 CarbonylContact O-C 3.57Å; Q153-N225 VanDerWaalsContact O-CA 3.29Å; Q153-N225 WeakPolarHBondContact O-CA 3.5Å; Q153-N225 VanDerWaalsContact O-CB 3.24Å; Q153-N225 WeakPolarHBondContact O-CB 3.29Å; Q153-I226 PolarHBondContact O-N 3.39Å
154Q91.3Very high74.6Confident78 Ų7893 Ų9336%0.36454%0.538SS..BIsolated β-bridgetrans-87136.4171.9-170.8170.2-2.500110.1I226 P227 D229Q154-I226 WeakPolarHBondContact CA-O 3.36Å; Q154-I226 HydrophobicContact CB-CB 3.89Å; Q154-I226 HydrophobicContact CB-CG2 4.27Å; Q154-I226 HydrophobicContact CG-CB 3.91Å; Q154-I226 HydrophobicContact CG-CG2 3.83Å; Q154-I226 WeakPolarHBondContact CG-O 3.3Å; Q154-P227 PolarHBondContact NE2-O 3.16Å; Q154-P227 VanDerWaalsContact NE2-O 3.1Å; Q154-D229 PolarHBondContact NE2-OD1 2.81Å
155D92.4Very high77.4Confident38 Ų3888.1 Ų88.120%0.20351%0.509CS..PPolyproline II helixtrans-66.6147.6174.7-69.3-29.2000110.4N225 I226 A228D155-N225 WeakPolarHBondContact OD1-CB 3.1Å; D155-N225 PolarHBondContact OD1-ND2 2.87Å; D155-I226 PolarHBondContact N-O 3.34Å; D155-A228 HydrophobicContact CB-CB 3.98Å; D155-A228 WeakPolarHBondContact O-CA 3.49Å
156P93.7Very high80.1Confident103 Ų10385.5 Ų85.567%0.66948%0.482SS*.PPolyproline II helixtrans-63.3145.8-175.125.7-34.9000112A228P156-A228 WeakPolarHBondContact O-CB 3.38Å
157P94.7Very high82.9Confident63 Ų6380.8 Ų80.841%0.40945%0.447SS..PPolyproline II helixtrans-58.1139.1-178.3-23.932.6000113.6Y159 D229 V231P157-Y159 HydrophobicContact CB-CE2 4.04Å; P157-D229 CarbonylContact C-O 3.59Å; P157-D229 VanDerWaalsContact CA-O 3.29Å; P157-D229 WeakPolarHBondContact CA-O 3.35Å; P157-D229 HydrophobicContact CB-CB 4.48Å; P157-V231 HydrophobicContact CB-CG2 4.15Å
158I95.3Very high85.5Confident59 Ų5976.6 Ų76.630%0.30342%0.42SS..EExtended strand (participates in β ladder)trans-95.1124.3176.7-58.4170.2000108.2A228 D229 V231I158-A228 HydrophobicContact CD1-CB 4.03Å; I158-A228 HydrophobicContact CG1-CB 3.93Å; I158-D229 PolarHBondContact N-O 2.68Å; I158-V231 PolarHBondContact O-N 3Å
159Y95.7Very high88.2Confident126 Ų12672.3 Ų72.349%0.49438%0.376SS..EExtended strand (participates in β ladder)trans-102.7133.3-178.6-68-89.8000111.9P157 V231 V233P157-Y159 HydrophobicContact CB-CE2 4.04Å; Y159-V231 CarbonylContact C-O 3.56Å; Y159-V231 WeakPolarHBondContact CA-O 3.48Å; Y159-V231 HydrophobicContact CD1-CB 3.77Å; Y159-V231 HydrophobicContact CD1-CG1 3.89Å; Y159-V231 HydrophobicContact CE1-CB 3.9Å; Y159-V231 HydrophobicContact CE1-CG1 3.82Å; Y159-V231 HydrophobicContact CE1-CG2 4.27Å; Y159-V233 HydrophobicContact CD1-CG2 3.83Å
160H95.9Very high90.6Very high79 Ų7970.2 Ų70.237%0.36635%0.35SS..EExtended strand (participates in β ladder)trans-126.3144.5172.6-64.8-55.8000111.2V231 F232 V233H160-V231 PolarHBondContact N-O 3.09Å; H160-F232 HydrophobicContact CB-CD1 3.64Å; H160-F232 HydrophobicContact CB-CE1 3.58Å; H160-F232 HydrophobicContact CB-CG 4.46Å; H160-F232 HydrophobicContact CB-CZ 4.39Å; H160-F232 CarbonylContact O-C 3.53Å; H160-F232 VanDerWaalsContact O-CA 3.29Å; H160-F232 WeakPolarHBondContact O-CA 3.19Å; H160-V233 PolarHBondContact O-N 2.9Å
161D96.5Very high92.6Very high100 Ų10063.2 Ų63.254%0.53533%0.328SS..EExtended strand (participates in β ladder)trans-81126.1175.3-69.7-17.6000110.5K235D161-K235 HydrophobicContact CB-CD 4.07Å; D161-K235 HydrophobicContact CB-CG 4.48Å; D161-K235 VanDerWaalsContact CG-CD 3.44Å; D161-K235 WeakPolarHBondContact OD1-CD 3.36Å; D161-K235 WeakPolarHBondContact OD1-CE 3.41Å; D161-K235 IonicContact OD1-NZ 3.01Å; D161-K235 PolarHBondContact OD1-NZ 3.16Å; D161-K235 WeakPolarHBondContact OD2-CD 3.47Å; D161-K235 WeakPolarHBondContact OD2-CE 3.33Å; D161-K235 IonicContact OD2-NZ 3.89Å; D161-K235 PolarHBondContact OD2-NZ 3.43Å
162L96.8Very high94.2Very high7 Ų754.8 Ų54.84%0.03730%0.298CS..EExtended strand (participates in β ladder)trans-97.497.5169.3179.856.3000109V164 K175 I177 I200 V202 I212 F232 V233 V234 K235L162-V164 HydrophobicContact CD2-CG2 4.32Å; L162-V164 HydrophobicContact CG-CG2 3.85Å; L162-V164 PolarHBondContact O-N 3.04Å; L162-K175 HydrophobicContact CD1-CB 4.41Å; L162-K175 HydrophobicContact CD1-CD 3.76Å; L162-I177 HydrophobicContact CD1-CD1 3.49Å; L162-I177 VanDerWaalsContact CD1-CD1 3.49Å; L162-I200 HydrophobicContact CD2-CB 4.37Å; L162-I200 HydrophobicContact CD2-CD1 3.89Å; L162-I200 HydrophobicContact CD2-CG2 3.76Å; L162-V202 HydrophobicContact CD2-CG2 4.2Å; L162-I212 HydrophobicContact CD2-CD1 4.22Å; L162-F232 HydrophobicContact CB-CB 4.23Å; L162-V233 PolarHBondContact N-O 3.3Å; L162-V234 HydrophobicContact CD2-CG2 4.23Å; L162-V234 WeakPolarHBondContact O-CA 3.34Å; L162-K235 PolarHBondContact O-N 2.93Å
163S96.5Very high95.4Very high60 Ų6054.2 Ų54.242%0.4229%0.289SS..EExtended strand (participates in β ladder)trans-72.6118.8177.4-1690000110.9K175 K235 R237S163-K175 PolarHBondContact O-NZ 3.1Å; S163-K235 WeakPolarHBondContact CA-O 3.15Å; S163-R237 WeakPolarHBondContact OG-CB 3.42Å
164V96.7Very high95.8Very high0 Ų051.1 Ų51.10%028%0.28CS..EExtended strand (participates in β ladder)trans-123.7128.2-175.9-176.90000109.8L162 D168 V169 V202 V234 K235 R237L162-V164 HydrophobicContact CD2-CG2 4.32Å; L162-V164 HydrophobicContact CG-CG2 3.85Å; L162-V164 PolarHBondContact O-N 3.04Å; V164-D168 HydrophobicContact CG1-CB 3.45Å; V164-D168 VanDerWaalsContact CG1-CB 3.45Å; V164-V169 HydrophobicContact CG1-CG2 3.64Å; V164-V202 HydrophobicContact CG1-CG1 3.82Å; V164-V202 HydrophobicContact CG2-CG1 4.39Å; V164-V202 HydrophobicContact CG2-CG2 4.24Å; V164-V234 HydrophobicContact CB-CG1 4.29Å; V164-V234 HydrophobicContact CG2-CG1 3.94Å; V164-K235 PolarHBondContact N-O 2.86Å; V164-R237 WeakPolarHBondContact O-CB 3.37Å; V164-R237 PolarHBondContact O-N 3.1Å
165S97.2Very high96Very high18 Ų1849.6 Ų49.613%0.12627%0.272CS..  trans-74.4162.9177.4720000111.9Q167 D168 V169S165-Q167 PolarHBondContact O-N 2.83Å; S165-D168 PolarHBondContact N-OD2 2.91Å; S165-D168 WeakPolarHBondContact O-CB 3.29Å; S165-D168 PolarHBondContact O-N 3.15Å; S165-D168 WeakPolarHBondContact OG-CB 3.44Å; S165-D168 PolarHBondContact OG-N 3.02Å; S165-D168 PolarHBondContact OG-OD1 3.1Å; S165-D168 PolarHBondContact OG-OD2 2.91Å; S165-D168 VanDerWaalsContact OG-OD2 3.08Å; S165-V169 WeakPolarHBondContact O-CG2 3.41Å; S165-V169 PolarHBondContact O-N 3.12Å; S165-V169 VanDerWaalsContact O-N 3.07Å
166L97.2Very high96.2Very high3 Ų354.6 Ų54.62%0.01629%0.292CS..Hα-helixtrans-65.1-33.4175.9-59.9-176.5000111.5V169 L170 H239 F242 R244 I271 L297L166-V169 PolarHBondContact O-N 3.1Å; L166-L170 WeakPolarHBondContact O-CB 2.92Å; L166-L170 PolarHBondContact O-N 3.21Å; L166-H239 HydrophobicContact CD1-CB 3.79Å; L166-H239 HydrophobicContact CG-CB 4.22Å; L166-F242 HydrophobicContact CD1-CB 3.66Å; L166-F242 HydrophobicContact CD1-CD2 4.42Å; L166-F242 HydrophobicContact CD1-CG 4.49Å; L166-R244 HydrophobicContact CD2-CB 3.98Å; L166-R244 HydrophobicContact CD2-CG 4.45Å; L166-I271 HydrophobicContact CB-CG2 3.9Å; L166-L297 HydrophobicContact CB-CD2 4.42Å; L166-L297 HydrophobicContact CD2-CD1 4.19Å; L166-L297 WeakPolarHBondContact O-CD2 3.48Å
167Q96.7Very high96.3Very high40 Ų4051.5 Ų51.519%0.18727%0.269CS..Hα-helixtrans-62.2-46.4172.7-65.777.43.500111S165 V169 L170 H171 H239 I271S165-Q167 PolarHBondContact O-N 2.83Å; Q167-V169 VanDerWaalsContact C-N 3.26Å; Q167-V169 PolarHBondContact O-N 3.19Å; Q167-L170 PolarHBondContact O-N 2.98Å; Q167-H171 PolarHBondContact O-N 3.16Å; Q167-H239 PolarHBondContact NE2-NE2 3.13Å; Q167-I271 HydrophobicContact CG-CG2 4.08Å; Q167-I271 WeakPolarHBondContact CG-O 3.49Å; Q167-I271 PolarHBondContact NE2-O 3.21Å
168D96.8Very high96.3Very high34 Ų3456 Ų5618%0.18228%0.278CS..Hα-helixtrans-58.7-38.4174.9-66.9-23.5000111.4V164 S165 G172 T173 K175V164-D168 HydrophobicContact CG1-CB 3.45Å; V164-D168 VanDerWaalsContact CG1-CB 3.45Å; S165-D168 PolarHBondContact N-OD2 2.91Å; S165-D168 WeakPolarHBondContact O-CB 3.29Å; S165-D168 PolarHBondContact O-N 3.15Å; S165-D168 WeakPolarHBondContact OG-CB 3.44Å; S165-D168 PolarHBondContact OG-N 3.02Å; S165-D168 PolarHBondContact OG-OD1 3.1Å; S165-D168 PolarHBondContact OG-OD2 2.91Å; S165-D168 VanDerWaalsContact OG-OD2 3.08Å; D168-G172 CarbonylContact O-C 3.57Å; D168-G172 WeakPolarHBondContact O-CA 3.4Å; D168-G172 PolarHBondContact O-N 3.32Å; D168-T173 HydrophobicContact CB-CG2 3.63Å; D168-K175 WeakPolarHBondContact OD2-CE 3.39Å; D168-K175 IonicContact OD2-NZ 3.44Å; D168-K175 PolarHBondContact OD2-NZ 3.17Å
169V96.6Very high96.2Very high0 Ų053.5 Ų53.50%027%0.265CS..Hα-helixtrans-71.9-32.7176.4178.30000112V164 S165 L166 Q167 K204 G205 W206 L297V164-V169 HydrophobicContact CG1-CG2 3.64Å; S165-V169 WeakPolarHBondContact O-CG2 3.41Å; S165-V169 PolarHBondContact O-N 3.12Å; S165-V169 VanDerWaalsContact O-N 3.07Å; L166-V169 PolarHBondContact O-N 3.1Å; Q167-V169 VanDerWaalsContact C-N 3.26Å; Q167-V169 PolarHBondContact O-N 3.19Å; V169-K204 CarbonylContact O-C 3.47Å; V169-K204 WeakPolarHBondContact O-CA 3.32Å; V169-G205 PolarHBondContact O-N 2.86Å; V169-W206 WeakPolarHBondContact CG1-O 3.3Å; V169-L297 HydrophobicContact CB-CD2 4.26Å; V169-L297 HydrophobicContact CG1-CD1 4.09Å; V169-L297 HydrophobicContact CG1-CD2 4.19Å
170L96.9Very high96Very high19 Ų1951 Ų5110%0.09926%0.263CS..Hα-helixtrans-73-47.1-178.5-179.754.9000111.8L166 Q167 I271 D272 L297 P298 L306L166-L170 WeakPolarHBondContact O-CB 2.92Å; L166-L170 PolarHBondContact O-N 3.21Å; Q167-L170 PolarHBondContact O-N 2.98Å; L170-I271 HydrophobicContact CD2-CB 3.96Å; L170-I271 HydrophobicContact CD2-CG2 3.78Å; L170-D272 WeakPolarHBondContact CD2-OD1 3.26Å; L170-L297 HydrophobicContact CB-CD2 4.04Å; L170-P298 HydrophobicContact CD1-CG 3.93Å; L170-P298 WeakPolarHBondContact O-CG 3.37Å; L170-L306 HydrophobicContact CD1-CD2 4.01Å
171H96.3Very high95.9Very high99 Ų9948.5 Ų48.546%0.45825%0.251SS..Hα-helixtrans-98.9-16.2-176.7-51.6130.3000114.1Q167 K204 D272Q167-H171 PolarHBondContact O-N 3.16Å; H171-K204 VanDerWaalsContact C-CE 3.5Å; H171-K204 WeakPolarHBondContact O-CE 3.24Å; H171-D272 VanDerWaalsContact CE1-CG 3.49Å; H171-D272 IonicContact CE1-OD1 3.98Å; H171-D272 PolarHBondContact CE1-OD1 3.29Å; H171-D272 IonicContact CE1-OD2 3.9Å; H171-D272 VanDerWaalsContact NE2-CG 3.32Å; H171-D272 IonicContact NE2-OD1 3.77Å; H171-D272 PolarHBondContact NE2-OD1 3.1Å; H171-D272 IonicContact NE2-OD2 3.21Å; H171-D272 PolarHBondContact NE2-OD2 3.46Å; H171-D272 VanDerWaalsContact NE2-OD2 3.07Å
172G95.3Very high95.8Very high25 Ų2544.6 Ų44.626%0.25823%0.232SC..  trans77.4154.6-16600000111.1D168 V202D168-G172 CarbonylContact O-C 3.57Å; D168-G172 WeakPolarHBondContact O-CA 3.4Å; D168-G172 PolarHBondContact O-N 3.32Å; G172-V202 WeakPolarHBondContact CA-O 3.34Å
173T97Very high95.6Very high45 Ų4545 Ų4528%0.27623%0.233SC..EExtended strand (participates in β ladder)trans-157.5164.2178.2-168.80000110.7D168 K175 V202D168-T173 HydrophobicContact CB-CG2 3.63Å; T173-K175 HydrophobicContact CG2-CG 4.04Å; T173-V202 HydrophobicContact CG2-CB 3.95Å; T173-V202 HydrophobicContact CG2-CG2 4.21Å; T173-V202 PolarHBondContact N-O 3.34Å; T173-V202 WeakPolarHBondContact O-CA 3.47Å; T173-V202 WeakPolarHBondContact O-CB 3.35Å; T173-V202 PolarHBondContact O-N 3.13Å
174T97.2Very high95.4Very high77 Ų7744.3 Ų44.347%0.47222%0.224SC..EExtended strand (participates in β ladder)trans-110.9122.5168.7-610000109E199 I200T174-E199 HydrophobicContact CG2-CB 4.25Å; T174-I200 WeakPolarHBondContact CA-O 3.35Å
175K95.5Very high95.1Very high47 Ų4746 Ų4620%0.20423%0.233CC..EExtended strand (participates in β ladder)trans-104.6126.6176.2-62.8-161.7179.1-140.80110L162 S163 D168 T173 I200 V202L162-K175 HydrophobicContact CD1-CB 4.41Å; L162-K175 HydrophobicContact CD1-CD 3.76Å; S163-K175 PolarHBondContact O-NZ 3.1Å; D168-K175 WeakPolarHBondContact OD2-CE 3.39Å; D168-K175 IonicContact OD2-NZ 3.44Å; D168-K175 PolarHBondContact OD2-NZ 3.17Å; T173-K175 HydrophobicContact CG2-CG 4.04Å; K175-I200 PolarHBondContact N-O 2.82Å; K175-I200 PolarHBondContact O-N 3.02Å; K175-V202 HydrophobicContact CG-CG2 4.38Å
176K96.3Very high94.7Very high143 Ų14351.3 Ų51.362%0.62227%0.267SS*.EExtended strand (participates in β ladder)trans-95.1126.4171-52-161.9-173.3-153.70109.1T197 V198 E199K176-T197 HydrophobicContact CB-CG2 3.95Å; K176-V198 CarbonylContact C-O 3.58Å; K176-V198 WeakPolarHBondContact CA-O 3.38Å; K176-E199 HydrophobicContact CD-CG 4.26Å; K176-E199 WeakPolarHBondContact CD-OE1 3.25Å; K176-E199 WeakPolarHBondContact CE-OE1 3.48Å; K176-E199 HydrophobicContact CG-CG 4.06Å; K176-E199 IonicContact NZ-OE1 3.32Å; K176-E199 PolarHBondContact NZ-OE1 2.98Å
177I94.7Very high94.3Very high37 Ų3754.9 Ų54.919%0.1929%0.286CS..EExtended strand (participates in β ladder)trans-128135.6-176.2-53.1175.2000108.8L162 T197 V198 I200 F232L162-I177 HydrophobicContact CD1-CD1 3.49Å; L162-I177 VanDerWaalsContact CD1-CD1 3.49Å; I177-T197 CarbonylContact O-C 3.55Å; I177-T197 WeakPolarHBondContact O-CA 3.49Å; I177-V198 HydrophobicContact CB-CG2 4.15Å; I177-V198 PolarHBondContact N-O 3.27Å; I177-V198 WeakPolarHBondContact O-CG2 3.46Å; I177-V198 PolarHBondContact O-N 3.43Å; I177-I200 HydrophobicContact CD1-CD1 3.59Å; I177-I200 HydrophobicContact CD1-CG1 4.46Å; I177-F232 HydrophobicContact CB-CE1 4.4Å; I177-F232 HydrophobicContact CB-CZ 4.31Å; I177-F232 HydrophobicContact CD1-CD1 3.79Å; I177-F232 HydrophobicContact CD1-CE1 3.68Å; I177-F232 HydrophobicContact CD1-CG 4.41Å; I177-F232 HydrophobicContact CD1-CZ 4.19Å; I177-F232 HydrophobicContact CG2-CE1 3.69Å; I177-F232 HydrophobicContact CG2-CZ 3.75Å
178R94.7Very high93.7Very high157 Ų15762.1 Ų62.159%0.59231%0.312SS*.EExtended strand (participates in β ladder)trans-88.8126.5173.1-75167.966-163.22.6109.6E195R178-E195 IonicContact CZ-OE1 2.77Å; R178-E195 IonicContact CZ-OE2 3.34Å; R178-E195 VanDerWaalsContact CZ-OE2 3.25Å; R178-E195 IonicContact NE-OE1 2.57Å; R178-E195 IonicContact NE-OE2 2.99Å; R178-E195 PolarHBondContact NE-OE2 2.99Å; R178-E195 IonicContact NH2-OE1 3.56Å; R178-E195 PolarHBondContact NH2-OE1 3.22Å; R178-E195 IonicContact NH2-OE2 2.83Å; R178-E195 PolarHBondContact NH2-OE2 3.27Å
179I93.3Very high93.1Very high8 Ų867.7 Ų67.74%0.04134%0.337CS..EExtended strand (participates in β ladder)trans-104.2126.6168.7-57.5172.6000106.6E195 K196 V198 E217 V230 F232I179-E195 WeakPolarHBondContact O-CA 3.47Å; I179-K196 PolarHBondContact N-O 3.26Å; I179-K196 PolarHBondContact O-N 3.23Å; I179-V198 HydrophobicContact CD1-CB 4.35Å; I179-V198 HydrophobicContact CD1-CG1 3.62Å; I179-V198 HydrophobicContact CD1-CG2 3.75Å; I179-V198 HydrophobicContact CG1-CG1 4.44Å; I179-V198 HydrophobicContact CG1-CG2 4.06Å; I179-E217 HydrophobicContact CD1-CB 4.44Å; I179-V230 HydrophobicContact CD1-CB 4.37Å; I179-V230 HydrophobicContact CD1-CG1 4.02Å; I179-V230 HydrophobicContact CG2-CG2 4.37Å; I179-F232 HydrophobicContact CD1-CE2 3.92Å; I179-F232 HydrophobicContact CD1-CZ 4.21Å; I179-F232 HydrophobicContact CG1-CE2 4.19Å; I179-F232 HydrophobicContact CG1-CZ 3.96Å
180T92.8Very high92.8Very high73 Ų7370.8 Ų70.845%0.44836%0.356SS..EExtended strand (participates in β ladder)trans-99.9128.6169.9-540000108Q193 E195T180-Q193 HydrophobicContact CG2-CB 4.47Å; T180-E195 HydrophobicContact CG2-CG 4.4Å
181R92.9Very high92.6Very high27 Ų2773.3 Ų73.310%0.10237%0.372CS..EExtended strand (participates in β ladder)trans-141.6140.8-172.664.5-160-168.4150.31.4110.8R183 E194 E217 D219R181-R183 HydrophobicContact CG-CG 4.47Å; R181-R183 VanDerWaalsContact CG-CZ 3.49Å; R181-R183 VanDerWaalsContact CG-NH1 3.3Å; R181-R183 VanDerWaalsContact CZ-NH2 3.27Å; R181-E194 HydrophobicContact CG-CB 4.36Å; R181-E194 IonicContact CZ-OE1 3.62Å; R181-E194 PolarHBondContact N-O 3.47Å; R181-E194 IonicContact NE-OE1 2.83Å; R181-E194 IonicContact NH2-OE1 2.68Å; R181-E194 PolarHBondContact NH2-OE1 3.03Å; R181-E194 PolarHBondContact O-N 2.99Å; R181-E217 WeakPolarHBondContact CD-O 3.39Å; R181-E217 IonicContact CZ-OE2 3.67Å; R181-E217 IonicContact NE-OE2 3.71Å; R181-E217 IonicContact NH1-OE1 3.3Å; R181-E217 PolarHBondContact NH1-OE1 2.9Å; R181-E217 IonicContact NH1-OE2 2.98Å; R181-E217 PolarHBondContact NH1-OE2 3.21Å; R181-D219 VanDerWaalsContact CA-OD1 3.3Å; R181-D219 WeakPolarHBondContact CA-OD1 3.34Å
182A93.8Very high92.4Very high17 Ų1775 Ų7514%0.1438%0.375CS..EExtended strand (participates in β ladder)trans-77.1133.1171.700000109.8R192 D219 E220A182-R192 CarbonylContact C-O 3.58Å; A182-R192 WeakPolarHBondContact CA-O 3.23Å; A182-D219 HydrophobicContact CB-CB 3.99Å; A182-D219 PolarHBondContact N-OD1 2.78Å; A182-E220 PolarHBondContact O-N 3.45Å
183R94Very high92.4Very high17 Ų1781.7 Ų81.76%0.06440%0.399CS..EExtended strand (participates in β ladder)trans-120.2137.4174.7-69.4-70.2174.2-94.220.5109.8R181 T191 R192 E194 R216 G218 E220R181-R183 HydrophobicContact CG-CG 4.47Å; R181-R183 VanDerWaalsContact CG-CZ 3.49Å; R181-R183 VanDerWaalsContact CG-NH1 3.3Å; R181-R183 VanDerWaalsContact CZ-NH2 3.27Å; R183-T191 CarbonylContact O-C 3.44Å; R183-T191 VanDerWaalsContact O-CA 3.24Å; R183-T191 WeakPolarHBondContact O-CA 3.24Å; R183-R192 HydrophobicContact CB-CG 4.32Å; R183-R192 PolarHBondContact N-O 3.46Å; R183-R192 PolarHBondContact O-N 3.04Å; R183-E194 HydrophobicContact CG-CB 3.96Å; R183-E194 WeakPolarHBondContact CG-OE2 3.46Å; R183-R216 PolarHBondContact NH2-O 3.14Å; R183-G218 PolarHBondContact NH1-O 3.39Å; R183-G218 PolarHBondContact NH2-O 3.33Å; R183-E220 WeakPolarHBondContact CA-OE2 3.46Å; R183-E220 WeakPolarHBondContact CD-OE1 3.42Å; R183-E220 WeakPolarHBondContact CD-OE2 3.47Å; R183-E220 IonicContact NE-OE1 2.62Å
184L91.4Very high92.3Very high45 Ų4582.3 Ų82.324%0.23640%0.399CS..EExtended strand (participates in β ladder)trans-73.1129-178.3-168.969.9000109.2R188 T191 E220 I222L184-R188 HydrophobicContact CD2-CB 4.02Å; L184-R188 HydrophobicContact CD2-CG 3.97Å; L184-T191 HydrophobicContact CD1-CG2 4.21Å; L184-E220 HydrophobicContact CB-CB 4.27Å; L184-E220 PolarHBondContact N-OE2 3.04Å; L184-I222 HydrophobicContact CD1-CG1 3.86Å
185N91Very high92.2Very high35 Ų3583.8 Ų83.819%0.18740%0.4CS..  trans-70.7163.1175.7-73.1-36.4000110.6D187 R188 T190 R192N185-D187 WeakPolarHBondContact CB-OD1 3.29Å; N185-D187 PolarHBondContact O-N 3.25Å; N185-R188 PolarHBondContact O-N 2.86Å; N185-T190 WeakPolarHBondContact CB-O 3.44Å; N185-T190 PolarHBondContact N-O 3.22Å; N185-T190 PolarHBondContact ND2-OG1 3.47Å; N185-R192 WeakPolarHBondContact OD1-CD 3.09Å
186P89.1Confident92.1Very high129 Ų12985.3 Ų85.384%0.83841%0.407SS*.THydrogen-bonded Turntrans-55.7-24177.2-27.135.8000114.4R188P186-R188 PolarHBondContact O-N 3Å
187D88.3Confident92.1Very high78 Ų7882.3 Ų82.342%0.41740%0.401SS..THydrogen-bonded Turntrans-66.7-15.4175.367.46.7000114N185 Q189 T190N185-D187 WeakPolarHBondContact CB-OD1 3.29Å; N185-D187 PolarHBondContact O-N 3.25Å; D187-Q189 PolarHBondContact O-N 3.5Å; D187-Q189 VanDerWaalsContact O-N 3.12Å; D187-Q189 PolarHBondContact OD1-N 3.32Å; D187-T190 PolarHBondContact OD1-N 2.87Å; D187-T190 PolarHBondContact OD1-OG1 3.31Å; D187-T190 WeakPolarHBondContact OD2-CB 3.32Å; D187-T190 WeakPolarHBondContact OD2-CG2 3.38Å; D187-T190 PolarHBondContact OD2-OG1 2.93Å
188R83.9Confident92.1Very high193 Ų19380.9 Ų80.973%0.72839%0.394SS*.SBendtrans54.519.6-172.6-60.3-171.1170.8-171.5-2.3114.9L184 N185 P186L184-R188 HydrophobicContact CD2-CB 4.02Å; L184-R188 HydrophobicContact CD2-CG 3.97Å; N185-R188 PolarHBondContact O-N 2.86Å; P186-R188 PolarHBondContact O-N 3Å
189Q84.8Confident92.2Very high150 Ų15078.6 Ų78.670%0.70139%0.39SS*.SBendtrans-123.7-26.9-177-71-176.4-1.900112.2D187 I222D187-Q189 PolarHBondContact O-N 3.5Å; D187-Q189 VanDerWaalsContact O-N 3.12Å; D187-Q189 PolarHBondContact OD1-N 3.32Å; Q189-I222 WeakPolarHBondContact O-CD1 3.28Å
190T89.9Confident92.3Very high65 Ų6578.4 Ų78.440%0.39939%0.389SS..  trans-120157.5179.565.80000111.1N185 D187N185-T190 WeakPolarHBondContact CB-O 3.44Å; N185-T190 PolarHBondContact N-O 3.22Å; N185-T190 PolarHBondContact ND2-OG1 3.47Å; D187-T190 PolarHBondContact OD1-N 2.87Å; D187-T190 PolarHBondContact OD1-OG1 3.31Å; D187-T190 WeakPolarHBondContact OD2-CB 3.32Å; D187-T190 WeakPolarHBondContact OD2-CG2 3.38Å; D187-T190 PolarHBondContact OD2-OG1 2.93Å
191T92Very high92.5Very high72 Ų7281.3 Ų81.344%0.44240%0.397SS..EExtended strand (participates in β ladder)trans-117.4151.1174.960.20000110.3R183 L184R183-T191 CarbonylContact O-C 3.44Å; R183-T191 VanDerWaalsContact O-CA 3.24Å; R183-T191 WeakPolarHBondContact O-CA 3.24Å; L184-T191 HydrophobicContact CD1-CG2 4.21Å
192R92.8Very high92.7Very high136 Ų13680 Ų8051%0.51339%0.393SS..EExtended strand (participates in β ladder)trans-115.8148168.767.4-179.4-174.2-151.62.4109.8A182 R183 N185 E194A182-R192 CarbonylContact C-O 3.58Å; A182-R192 WeakPolarHBondContact CA-O 3.23Å; R183-R192 HydrophobicContact CB-CG 4.32Å; R183-R192 PolarHBondContact N-O 3.46Å; R183-R192 PolarHBondContact O-N 3.04Å; N185-R192 WeakPolarHBondContact OD1-CD 3.09Å; R192-E194 IonicContact NH2-OE2 2.84Å
193Q94.7Very high92.8Very high165 Ų16584.9 Ų84.977%0.77141%0.411SS*.EExtended strand (participates in β ladder)trans-77131.4168.1-70-169.1-18.900109.4T180T180-Q193 HydrophobicContact CG2-CB 4.47Å
194E95Very high92.9Very high57 Ų5788.7 Ų88.727%0.26643%0.428SS..EExtended strand (participates in β ladder)trans-123.1138.9173.7-171-178.3124.200108.3R181 R183 R192R181-E194 HydrophobicContact CG-CB 4.36Å; R181-E194 IonicContact CZ-OE1 3.62Å; R181-E194 PolarHBondContact N-O 3.47Å; R181-E194 IonicContact NE-OE1 2.83Å; R181-E194 IonicContact NH2-OE1 2.68Å; R181-E194 PolarHBondContact NH2-OE1 3.03Å; R181-E194 PolarHBondContact O-N 2.99Å; R183-E194 HydrophobicContact CG-CB 3.96Å; R183-E194 WeakPolarHBondContact CG-OE2 3.46Å; R192-E194 IonicContact NH2-OE2 2.84Å
195E94.8Very high93.1Very high108 Ų10886.6 Ų86.651%0.50542%0.416SS..EExtended strand (participates in β ladder)trans-107.1132.6172.4-64-172.8151.900110.1R178 I179 T180R178-E195 IonicContact CZ-OE1 2.77Å; R178-E195 IonicContact CZ-OE2 3.34Å; R178-E195 VanDerWaalsContact CZ-OE2 3.25Å; R178-E195 IonicContact NE-OE1 2.57Å; R178-E195 IonicContact NE-OE2 2.99Å; R178-E195 PolarHBondContact NE-OE2 2.99Å; R178-E195 IonicContact NH2-OE1 3.56Å; R178-E195 PolarHBondContact NH2-OE1 3.22Å; R178-E195 IonicContact NH2-OE2 2.83Å; R178-E195 PolarHBondContact NH2-OE2 3.27Å; I179-E195 WeakPolarHBondContact O-CA 3.47Å; T180-E195 HydrophobicContact CG2-CG 4.4Å
196K94.4Very high93.4Very high79 Ų7986.3 Ų86.334%0.34341%0.413SS..EExtended strand (participates in β ladder)trans-123.7130.4173.7-175.8175.5175.3-179.40109.4I179 E217I179-K196 PolarHBondContact N-O 3.26Å; I179-K196 PolarHBondContact O-N 3.23Å; K196-E217 WeakPolarHBondContact CD-OE2 3.15Å; K196-E217 IonicContact NZ-OE1 2.92Å; K196-E217 PolarHBondContact NZ-OE1 3.12Å; K196-E217 IonicContact NZ-OE2 2.7Å
197T95.5Very high93.6Very high80 Ų8085.5 Ų85.549%0.49140%0.396SS..EExtended strand (participates in β ladder)trans-88.1125.2169.7-58.20000108.9K176 I177K176-T197 HydrophobicContact CB-CG2 3.95Å; I177-T197 CarbonylContact O-C 3.55Å; I177-T197 WeakPolarHBondContact O-CA 3.49Å
198V94.6Very high93.9Very high7 Ų784.4 Ų84.44%0.04240%0.398CS..EExtended strand (participates in β ladder)trans-107.7146.4171.8-640000110K176 I177 I179 F214 F232K176-V198 CarbonylContact C-O 3.58Å; K176-V198 WeakPolarHBondContact CA-O 3.38Å; I177-V198 HydrophobicContact CB-CG2 4.15Å; I177-V198 PolarHBondContact N-O 3.27Å; I177-V198 WeakPolarHBondContact O-CG2 3.46Å; I177-V198 PolarHBondContact O-N 3.43Å; I179-V198 HydrophobicContact CD1-CB 4.35Å; I179-V198 HydrophobicContact CD1-CG1 3.62Å; I179-V198 HydrophobicContact CD1-CG2 3.75Å; I179-V198 HydrophobicContact CG1-CG1 4.44Å; I179-V198 HydrophobicContact CG1-CG2 4.06Å; V198-F214 HydrophobicContact CB-CD1 4.23Å; V198-F214 HydrophobicContact CB-CE1 3.66Å; V198-F214 HydrophobicContact CB-CE2 4.32Å; V198-F214 HydrophobicContact CB-CZ 3.7Å; V198-F214 HydrophobicContact CG1-CD1 3.92Å; V198-F214 HydrophobicContact CG1-CE1 3.85Å; V198-F214 HydrophobicContact CG1-CG 4.41Å; V198-F214 HydrophobicContact CG1-CZ 4.29Å; V198-F214 HydrophobicContact CG2-CE1 4.27Å; V198-F214 HydrophobicContact CG2-CE2 4.02Å; V198-F214 HydrophobicContact CG2-CZ 3.85Å; V198-F232 HydrophobicContact CG2-CE2 4.11Å; V198-F232 HydrophobicContact CG2-CZ 4.45Å
199E96.5Very high94.4Very high110 Ų11077.2 Ų77.251%0.51438%0.384SS..EExtended strand (participates in β ladder)trans-108.6127.7176.3-54.1-165.3165.100109.2T174 K176T174-E199 HydrophobicContact CG2-CB 4.25Å; K176-E199 HydrophobicContact CD-CG 4.26Å; K176-E199 WeakPolarHBondContact CD-OE1 3.25Å; K176-E199 WeakPolarHBondContact CE-OE1 3.48Å; K176-E199 HydrophobicContact CG-CG 4.06Å; K176-E199 IonicContact NZ-OE1 3.32Å; K176-E199 PolarHBondContact NZ-OE1 2.98Å
200I96.7Very high94.9Very high4 Ų471.9 Ų71.92%0.02136%0.362CS..EExtended strand (participates in β ladder)trans-114.7113.8176.9-59.2176.6000108.4L162 T174 K175 I177 V202 W206 I212 F214 F232L162-I200 HydrophobicContact CD2-CB 4.37Å; L162-I200 HydrophobicContact CD2-CD1 3.89Å; L162-I200 HydrophobicContact CD2-CG2 3.76Å; T174-I200 WeakPolarHBondContact CA-O 3.35Å; K175-I200 PolarHBondContact N-O 2.82Å; K175-I200 PolarHBondContact O-N 3.02Å; I177-I200 HydrophobicContact CD1-CD1 3.59Å; I177-I200 HydrophobicContact CD1-CG1 4.46Å; I200-V202 HydrophobicContact CG2-CG2 4.33Å; I200-V202 PolarHBondContact O-N 3.25Å; I200-W206 HydrophobicContact CG2-CH2 4.14Å; I200-W206 HydrophobicContact CG2-CZ3 4.06Å; I200-I212 HydrophobicContact CD1-CG2 4.44Å; I200-I212 HydrophobicContact CG1-CG2 4.35Å; I200-I212 HydrophobicContact CG2-CD1 4.36Å; I200-I212 HydrophobicContact CG2-CG1 4.06Å; I200-I212 HydrophobicContact CG2-CG2 4.33Å; I200-F214 HydrophobicContact CD1-CE2 3.86Å; I200-F214 HydrophobicContact CD1-CZ 4.23Å; I200-F214 HydrophobicContact CG1-CE2 3.82Å; I200-F214 HydrophobicContact CG1-CZ 3.65Å; I200-F232 HydrophobicContact CD1-CB 3.77Å; I200-F232 HydrophobicContact CD1-CD1 4.25Å; I200-F232 HydrophobicContact CD1-CD2 3.71Å; I200-F232 HydrophobicContact CD1-CE2 4.36Å; I200-F232 HydrophobicContact CD1-CG 3.62Å
201E96.8Very high95.2Very high133 Ų13374.9 Ų74.962%0.62137%0.369SS*.EExtended strand (participates in β ladder)trans-81100.1171.9-170-169.2174.400109.8K203 W206E201-K203 PolarHBondContact O-N 2.8Å; E201-W206 WeakPolarHBondContact O-CH2 3.24Å; E201-W206 WeakPolarHBondContact O-CZ2 3.29Å
202V96.1Very high95.5Very high1 Ų172.8 Ų72.81%0.00636%0.355CS..EExtended strand (participates in β ladder)trans-77.5108.3175.8178.90000108.5L162 V164 G172 T173 K175 I200 W206L162-V202 HydrophobicContact CD2-CG2 4.2Å; V164-V202 HydrophobicContact CG1-CG1 3.82Å; V164-V202 HydrophobicContact CG2-CG1 4.39Å; V164-V202 HydrophobicContact CG2-CG2 4.24Å; G172-V202 WeakPolarHBondContact CA-O 3.34Å; T173-V202 HydrophobicContact CG2-CB 3.95Å; T173-V202 HydrophobicContact CG2-CG2 4.21Å; T173-V202 PolarHBondContact N-O 3.34Å; T173-V202 WeakPolarHBondContact O-CA 3.47Å; T173-V202 WeakPolarHBondContact O-CB 3.35Å; T173-V202 PolarHBondContact O-N 3.13Å; K175-V202 HydrophobicContact CG-CG2 4.38Å; I200-V202 HydrophobicContact CG2-CG2 4.33Å; I200-V202 PolarHBondContact O-N 3.25Å; V202-W206 HydrophobicContact CB-CE3 4.16Å; V202-W206 HydrophobicContact CB-CZ3 4.25Å; V202-W206 HydrophobicContact CG1-CD2 4.31Å; V202-W206 HydrophobicContact CG1-CE3 3.8Å; V202-W206 HydrophobicContact CG1-CZ3 4.38Å; V202-W206 HydrophobicContact CG2-CE3 4.28Å; V202-W206 HydrophobicContact CG2-CZ3 4.07Å
203K95.9Very high95.6Very high119 Ų11969.7 Ų69.752%0.51735%0.351SS..  trans-78.5153.5-179.9-46.2-176.6175.7-176.60111.5E201 G205 W206E201-K203 PolarHBondContact O-N 2.8Å; K203-G205 PolarHBondContact O-N 2.7Å; K203-W206 HydrophobicContact CB-CG 4.47Å; K203-W206 HydrophobicContact CG-CZ2 4.04Å; K203-W206 WeakPolarHBondContact O-CB 3.45Å; K203-W206 VanDerWaalsContact O-CD1 3.32Å; K203-W206 PolarHBondContact O-N 2.94Å
204K96.6Very high95.7Very high97 Ų9763.7 Ų63.742%0.42232%0.323SS..THydrogen-bonded Turntrans-51.8134.5173.9-66.1-178.6180-1790111.4V169 H171 W206 P298 P303V169-K204 CarbonylContact O-C 3.47Å; V169-K204 WeakPolarHBondContact O-CA 3.32Å; H171-K204 VanDerWaalsContact C-CE 3.5Å; H171-K204 WeakPolarHBondContact O-CE 3.24Å; K204-W206 VanDerWaalsContact C-N 3.26Å; K204-W206 PolarHBondContact O-N 3.19Å; K204-P298 HydrophobicContact CB-CB 4.31Å; K204-P298 HydrophobicContact CB-CG 4.23Å; K204-P303 HydrophobicContact CB-CB 4.2Å; K204-P303 HydrophobicContact CD-CB 4.48Å
205G96.2Very high95.7Very high0 Ų065.1 Ų65.10%034%0.337CS..THydrogen-bonded Turntrans73.38.9176.600000115.7V169 K203 K207 P298V169-G205 PolarHBondContact O-N 2.86Å; K203-G205 PolarHBondContact O-N 2.7Å; G205-K207 PolarHBondContact O-N 3.4Å; G205-P298 WeakPolarHBondContact CA-O 3.26Å
206W96.3Very high95.7Very high29 Ų2965.7 Ų65.711%0.1133%0.334CS..PPolyproline II helixtrans-52.2131.7170.8-90.822.7000111.2V169 I200 E201 V202 K203 K204 T210 I212 V234 R244V169-W206 WeakPolarHBondContact CG1-O 3.3Å; I200-W206 HydrophobicContact CG2-CH2 4.14Å; I200-W206 HydrophobicContact CG2-CZ3 4.06Å; E201-W206 WeakPolarHBondContact O-CH2 3.24Å; E201-W206 WeakPolarHBondContact O-CZ2 3.29Å; V202-W206 HydrophobicContact CB-CE3 4.16Å; V202-W206 HydrophobicContact CB-CZ3 4.25Å; V202-W206 HydrophobicContact CG1-CD2 4.31Å; V202-W206 HydrophobicContact CG1-CE3 3.8Å; V202-W206 HydrophobicContact CG1-CZ3 4.38Å; V202-W206 HydrophobicContact CG2-CE3 4.28Å; V202-W206 HydrophobicContact CG2-CZ3 4.07Å; K203-W206 HydrophobicContact CB-CG 4.47Å; K203-W206 HydrophobicContact CG-CZ2 4.04Å; K203-W206 WeakPolarHBondContact O-CB 3.45Å; K203-W206 VanDerWaalsContact O-CD1 3.32Å; K203-W206 PolarHBondContact O-N 2.94Å; K204-W206 VanDerWaalsContact C-N 3.26Å; K204-W206 PolarHBondContact O-N 3.19Å; W206-T210 HydrophobicContact CD2-CG2 4.09Å; W206-T210 HydrophobicContact CE3-CG2 4.24Å; W206-I212 HydrophobicContact CE3-CD1 4.4Å; W206-I212 HydrophobicContact CH2-CD1 3.93Å; W206-I212 HydrophobicContact CH2-CG1 3.68Å; W206-I212 HydrophobicContact CZ3-CD1 3.55Å; W206-I212 HydrophobicContact CZ3-CG1 3.85Å; W206-V234 HydrophobicContact CE3-CG2 3.56Å; W206-V234 HydrophobicContact CZ3-CG2 3.93Å; W206-R244 PolarHBondContact O-NH1 3.21Å; W206-R244 PolarHBondContact O-NH2 3.06Å
207K94.9Very high95.7Very high113 Ų11362.8 Ų62.849%0.49132%0.322SS..PPolyproline II helixtrans-88.3152.4-179.3-63.4-176.8179.7-176.70110.1G205 G209 T210G205-K207 PolarHBondContact O-N 3.4Å; K207-G209 PolarHBondContact O-N 3.41Å; K207-T210 PolarHBondContact O-N 3.19Å; K207-T210 PolarHBondContact O-OG1 2.89Å; K207-T210 VanDerWaalsContact O-OG1 3.07Å
208A93.9Very high95.6Very high54 Ų5459.1 Ų59.145%0.44630%0.3SS..THydrogen-bonded Turntrans-54.6137.7165.200000109.9
209G94.8Very high95.6Very high42 Ų4262.7 Ų62.743%0.43332%0.319SS..THydrogen-bonded Turntrans93.1-8-176.300000115.5K207 K211 V234K207-G209 PolarHBondContact O-N 3.41Å; G209-K211 PolarHBondContact O-N 3.24Å; G209-V234 PolarHBondContact N-O 3.4Å
210T95.4Very high95.4Very high39 Ų3960.5 Ų60.524%0.23931%0.308CS..  trans-57.4127.9171.9-650000110.1W206 K207 I212 V234W206-T210 HydrophobicContact CD2-CG2 4.09Å; W206-T210 HydrophobicContact CE3-CG2 4.24Å; K207-T210 PolarHBondContact O-N 3.19Å; K207-T210 PolarHBondContact O-OG1 2.89Å; K207-T210 VanDerWaalsContact O-OG1 3.07Å; T210-I212 HydrophobicContact CG2-CD1 4.44Å; T210-V234 HydrophobicContact CG2-CG2 4.45Å; T210-V234 WeakPolarHBondContact O-CG2 3.14Å; T210-V234 PolarHBondContact O-N 3.24Å
211K96.5Very high94.9Very high127 Ų12761.9 Ų61.955%0.55232%0.319SS*.EExtended strand (participates in β ladder)trans-101.7134.3-177.5-61.8-173.7178.1-1780110.8G209 V231 F232 V233G209-K211 PolarHBondContact O-N 3.24Å; K211-V231 HydrophobicContact CB-CG1 3.89Å; K211-V231 HydrophobicContact CD-CG1 4.22Å; K211-V231 HydrophobicContact CG-CG1 4.23Å; K211-F232 CarbonylContact C-O 3.4Å; K211-F232 WeakPolarHBondContact CA-O 3.42Å; K211-V233 HydrophobicContact CG-CG2 4.29Å
212I96.8Very high94.4Very high28 Ų2860.7 Ų60.714%0.14432%0.315CS..EExtended strand (participates in β ladder)trans-120.5110.8175.6-56.489.5000107L162 I200 W206 T210 F214 V231 F232 V234L162-I212 HydrophobicContact CD2-CD1 4.22Å; I200-I212 HydrophobicContact CD1-CG2 4.44Å; I200-I212 HydrophobicContact CG1-CG2 4.35Å; I200-I212 HydrophobicContact CG2-CD1 4.36Å; I200-I212 HydrophobicContact CG2-CG1 4.06Å; I200-I212 HydrophobicContact CG2-CG2 4.33Å; W206-I212 HydrophobicContact CE3-CD1 4.4Å; W206-I212 HydrophobicContact CH2-CD1 3.93Å; W206-I212 HydrophobicContact CH2-CG1 3.68Å; W206-I212 HydrophobicContact CZ3-CD1 3.55Å; W206-I212 HydrophobicContact CZ3-CG1 3.85Å; T210-I212 HydrophobicContact CG2-CD1 4.44Å; I212-F214 HydrophobicContact CG2-CD2 4.48Å; I212-F214 HydrophobicContact CG2-CE2 3.8Å; I212-F214 HydrophobicContact CG2-CZ 4.15Å; I212-V231 CarbonylContact O-C 3.5Å; I212-V231 WeakPolarHBondContact O-CA 3.2Å; I212-F232 HydrophobicContact CB-CB 4.35Å; I212-F232 WeakPolarHBondContact CD1-O 2.74Å; I212-F232 PolarHBondContact N-O 3.29Å; I212-F232 PolarHBondContact O-N 2.64Å; I212-V234 HydrophobicContact CD1-CG2 3.75Å
213T96.2Very high93.8Very high72 Ų7269.4 Ų69.444%0.44235%0.353SS..EExtended strand (participates in β ladder)trans-100.8127.7-175-57.60000110.5D229 V231T213-D229 HydrophobicContact CG2-CB 3.85Å; T213-V231 HydrophobicContact CG2-CG2 4.1Å
214F95.8Very high93.2Very high39 Ų3966.2 Ų66.217%0.17135%0.354CS..EExtended strand (participates in β ladder)trans-106.6107.3167-62.5-91.5000109V198 I200 I212 E217 V230 F232V198-F214 HydrophobicContact CB-CD1 4.23Å; V198-F214 HydrophobicContact CB-CE1 3.66Å; V198-F214 HydrophobicContact CB-CE2 4.32Å; V198-F214 HydrophobicContact CB-CZ 3.7Å; V198-F214 HydrophobicContact CG1-CD1 3.92Å; V198-F214 HydrophobicContact CG1-CE1 3.85Å; V198-F214 HydrophobicContact CG1-CG 4.41Å; V198-F214 HydrophobicContact CG1-CZ 4.29Å; V198-F214 HydrophobicContact CG2-CE1 4.27Å; V198-F214 HydrophobicContact CG2-CE2 4.02Å; V198-F214 HydrophobicContact CG2-CZ 3.85Å; I200-F214 HydrophobicContact CD1-CE2 3.86Å; I200-F214 HydrophobicContact CD1-CZ 4.23Å; I200-F214 HydrophobicContact CG1-CE2 3.82Å; I200-F214 HydrophobicContact CG1-CZ 3.65Å; I212-F214 HydrophobicContact CG2-CD2 4.48Å; I212-F214 HydrophobicContact CG2-CE2 3.8Å; I212-F214 HydrophobicContact CG2-CZ 4.15Å; F214-E217 HydrophobicContact CB-CB 4.04Å; F214-E217 HydrophobicContact CB-CG 3.47Å; F214-E217 VanDerWaalsContact CB-CG 3.47Å; F214-V230 PolarHBondContact N-O 3.19Å; F214-V230 PolarHBondContact O-N 3.21Å; F214-F232 AromaticContact CD2-CD2 3.7Å; F214-F232 HydrophobicContact CD2-CD2 3.7Å; F214-F232 AromaticContact CD2-CE2 3.86Å; F214-F232 HydrophobicContact CD2-CE2 3.86Å; F214-F232 AromaticContact CE2-CD2 3.55Å; F214-F232 HydrophobicContact CE2-CD2 3.55Å; F214-F232 AromaticContact CE2-CE2 3.84Å; F214-F232 HydrophobicContact CE2-CE2 3.84Å
215P95.5Very high92.9Very high86 Ų8663.5 Ų63.556%0.55834%0.344SS*.THydrogen-bonded Turntrans-69136.1-170.626.3-33.3000111.7E217 D229P215-E217 PolarHBondContact O-N 3.1Å; P215-E217 VanDerWaalsContact O-N 3.16Å; P215-D229 VanDerWaalsContact CA-OD1 3.23Å; P215-D229 WeakPolarHBondContact CA-OD1 3.4Å
216R94.3Very high92.6Very high120 Ų12065.7 Ų65.745%0.45336%0.355SS..THydrogen-bonded Turntrans55.628.5176-51.8177.9-177.1166.91.5114.8R183 G218 I226 P227 A228 D229R183-R216 PolarHBondContact NH2-O 3.14Å; R216-G218 VanDerWaalsContact C-N 3.35Å; R216-I226 HydrophobicContact CG-CG2 3.87Å; R216-P227 HydrophobicContact CB-CB 4.22Å; R216-A228 CarbonylContact C-O 3.57Å; R216-A228 VanDerWaalsContact CA-O 3.32Å; R216-A228 WeakPolarHBondContact CA-O 3.26Å; R216-D229 PolarHBondContact N-OD1 2.87Å
217E94.7Very high92.5Very high19 Ų1965.1 Ų65.19%0.08936%0.355CS..  trans-85.5-5.7178-77.9-61.4150.500113.9I179 R181 K196 F214 P215 A228 V230I179-E217 HydrophobicContact CD1-CB 4.44Å; R181-E217 WeakPolarHBondContact CD-O 3.39Å; R181-E217 IonicContact CZ-OE2 3.67Å; R181-E217 IonicContact NE-OE2 3.71Å; R181-E217 IonicContact NH1-OE1 3.3Å; R181-E217 PolarHBondContact NH1-OE1 2.9Å; R181-E217 IonicContact NH1-OE2 2.98Å; R181-E217 PolarHBondContact NH1-OE2 3.21Å; K196-E217 WeakPolarHBondContact CD-OE2 3.15Å; K196-E217 IonicContact NZ-OE1 2.92Å; K196-E217 PolarHBondContact NZ-OE1 3.12Å; K196-E217 IonicContact NZ-OE2 2.7Å; F214-E217 HydrophobicContact CB-CB 4.04Å; F214-E217 HydrophobicContact CB-CG 3.47Å; F214-E217 VanDerWaalsContact CB-CG 3.47Å; P215-E217 PolarHBondContact O-N 3.1Å; P215-E217 VanDerWaalsContact O-N 3.16Å; E217-A228 PolarHBondContact N-O 3.1Å; E217-A228 VanDerWaalsContact N-O 3.16Å; E217-V230 HydrophobicContact CB-CB 3.91Å; E217-V230 HydrophobicContact CB-CG2 3.59Å
218G93.2Very high92.5Very high2 Ų259.9 Ų59.92%0.02133%0.333CS..SBendtrans-73.5-170.5176.900000113.8R183 R216 A228R183-G218 PolarHBondContact NH1-O 3.39Å; R183-G218 PolarHBondContact NH2-O 3.33Å; R216-G218 VanDerWaalsContact C-N 3.35Å; G218-A228 WeakPolarHBondContact CA-O 3.48Å; G218-A228 PolarHBondContact N-O 2.87Å
219D93.9Very high92.6Very high82 Ų8259.1 Ų59.144%0.43932%0.321SS..  trans-70.1136.6-178.7-66.7-24.2000112R181 A182R181-D219 VanDerWaalsContact CA-OD1 3.3Å; R181-D219 WeakPolarHBondContact CA-OD1 3.34Å; A182-D219 HydrophobicContact CB-CB 3.99Å; A182-D219 PolarHBondContact N-OD1 2.78Å
220E92.6Very high92.7Very high65 Ų6557.2 Ų57.230%0.30430%0.301SS..  trans-82.7137.8165.5-74172.5-179.200109.6A182 R183 L184 P227A182-E220 PolarHBondContact O-N 3.45Å; R183-E220 WeakPolarHBondContact CA-OE2 3.46Å; R183-E220 WeakPolarHBondContact CD-OE1 3.42Å; R183-E220 WeakPolarHBondContact CD-OE2 3.47Å; R183-E220 IonicContact NE-OE1 2.62Å; L184-E220 HydrophobicContact CB-CB 4.27Å; L184-E220 PolarHBondContact N-OE2 3.04Å; E220-P227 HydrophobicContact CB-CG 4.5Å; E220-P227 HydrophobicContact CG-CG 3.52Å
221S87Confident92.8Very high33 Ų3355.6 Ų55.623%0.23129%0.292CS..  trans-116.6150.9179.5690000112.1K223 G224S221-K223 PolarHBondContact O-N 2.94Å; S221-K223 VanDerWaalsContact O-N 3.1Å; S221-G224 PolarHBondContact O-N 3.43Å
222I86Confident92.9Very high107 Ų10749.9 Ų49.955%0.54927%0.267SS..THydrogen-bonded Turntrans-58.9-23.8176.3-60.4160.4000111.6L184 Q189 G224L184-I222 HydrophobicContact CD1-CG1 3.86Å; Q189-I222 WeakPolarHBondContact O-CD1 3.28Å; I222-G224 PolarHBondContact O-N 2.9Å; I222-G224 VanDerWaalsContact O-N 3.17Å
223K84.4Confident92.9Very high185 Ų18549.8 Ų49.880%0.80427%0.267SS*.THydrogen-bonded Turntrans-64.9-14.7176.7-64.2-178.1-178.7176.40113.3S221 N225S221-K223 PolarHBondContact O-N 2.94Å; S221-K223 VanDerWaalsContact O-N 3.1Å; K223-N225 VanDerWaalsContact C-N 3.32Å
224G83.1Confident93Very high52 Ų5246.4 Ų46.454%0.53625%0.246SC..  trans75.221.6-178.700000113.6S221 I222S221-G224 PolarHBondContact O-N 3.43Å; I222-G224 PolarHBondContact O-N 2.9Å; I222-G224 VanDerWaalsContact O-N 3.17Å
225N88.8Confident93Very high40 Ų4049.2 Ų49.221%0.21426%0.259CS..PPolyproline II helixtrans-65.8153.2171.6-71.6-2.3000110.4Q153 D155 K223Q153-N225 CarbonylContact O-C 3.57Å; Q153-N225 VanDerWaalsContact O-CA 3.29Å; Q153-N225 WeakPolarHBondContact O-CA 3.5Å; Q153-N225 VanDerWaalsContact O-CB 3.24Å; Q153-N225 WeakPolarHBondContact O-CB 3.29Å; D155-N225 WeakPolarHBondContact OD1-CB 3.1Å; D155-N225 PolarHBondContact OD1-ND2 2.87Å; K223-N225 VanDerWaalsContact C-N 3.32Å
226I91.5Very high93Very high46 Ų4647.8 Ų47.824%0.23625%0.246CC..BIsolated β-bridgetrans-69.8129.2170.4-58.3170.9000107.1A152 Q153 Q154 D155 R216A152-I226 HydrophobicContact CB-CD1 4.11Å; A152-I226 HydrophobicContact CB-CG1 3.88Å; Q153-I226 PolarHBondContact O-N 3.39Å; Q154-I226 WeakPolarHBondContact CA-O 3.36Å; Q154-I226 HydrophobicContact CB-CB 3.89Å; Q154-I226 HydrophobicContact CB-CG2 4.27Å; Q154-I226 HydrophobicContact CG-CB 3.91Å; Q154-I226 HydrophobicContact CG-CG2 3.83Å; Q154-I226 WeakPolarHBondContact CG-O 3.3Å; D155-I226 PolarHBondContact N-O 3.34Å; R216-I226 HydrophobicContact CG-CG2 3.87Å
227P93.8Very high93.1Very high16 Ų1649.7 Ų49.710%0.10425%0.253CS..PPolyproline II helixtrans-57.2149.4-179.8-28.236.8000113Q154 R216 E220Q154-P227 PolarHBondContact NE2-O 3.16Å; Q154-P227 VanDerWaalsContact NE2-O 3.1Å; R216-P227 HydrophobicContact CB-CB 4.22Å; E220-P227 HydrophobicContact CB-CG 4.5Å; E220-P227 HydrophobicContact CG-CG 3.52Å
228A94.9Very high93.1Very high4 Ų455.3 Ų55.33%0.03329%0.289CS..PPolyproline II helixtrans-61.4150.217700000112.2D155 P156 I158 R216 E217 G218D155-A228 HydrophobicContact CB-CB 3.98Å; D155-A228 WeakPolarHBondContact O-CA 3.49Å; P156-A228 WeakPolarHBondContact O-CB 3.38Å; I158-A228 HydrophobicContact CD1-CB 4.03Å; I158-A228 HydrophobicContact CG1-CB 3.93Å; R216-A228 CarbonylContact C-O 3.57Å; R216-A228 VanDerWaalsContact CA-O 3.32Å; R216-A228 WeakPolarHBondContact CA-O 3.26Å; E217-A228 PolarHBondContact N-O 3.1Å; E217-A228 VanDerWaalsContact N-O 3.16Å; G218-A228 WeakPolarHBondContact CA-O 3.48Å; G218-A228 PolarHBondContact N-O 2.87Å
229D96.3Very high93.2Very high37 Ų3757.3 Ų57.320%0.19830%0.298CS..PPolyproline II helixtrans-75.7137.5166-70.2-5000109.8Q154 P157 I158 T213 P215 R216Q154-D229 PolarHBondContact NE2-OD1 2.81Å; P157-D229 CarbonylContact C-O 3.59Å; P157-D229 VanDerWaalsContact CA-O 3.29Å; P157-D229 WeakPolarHBondContact CA-O 3.35Å; P157-D229 HydrophobicContact CB-CB 4.48Å; I158-D229 PolarHBondContact N-O 2.68Å; T213-D229 HydrophobicContact CG2-CB 3.85Å; P215-D229 VanDerWaalsContact CA-OD1 3.23Å; P215-D229 WeakPolarHBondContact CA-OD1 3.4Å; R216-D229 PolarHBondContact N-OD1 2.87Å
230V96.8Very high93.3Very high2 Ų261.9 Ų61.91%0.01231%0.314CS..EExtended strand (participates in β ladder)trans-96.5119.4173.3178.80000108.6I179 F214 E217 F232I179-V230 HydrophobicContact CD1-CB 4.37Å; I179-V230 HydrophobicContact CD1-CG1 4.02Å; I179-V230 HydrophobicContact CG2-CG2 4.37Å; F214-V230 PolarHBondContact N-O 3.19Å; F214-V230 PolarHBondContact O-N 3.21Å; E217-V230 HydrophobicContact CB-CB 3.91Å; E217-V230 HydrophobicContact CB-CG2 3.59Å; V230-F232 HydrophobicContact CG1-CD2 4.33Å; V230-F232 HydrophobicContact CG1-CE2 3.75Å; V230-F232 HydrophobicContact CG1-CZ 4.2Å
231V97.3Very high93.5Very high6 Ų662.4 Ų62.44%0.03632%0.316CS..EExtended strand (participates in β ladder)trans-115.4114.7-174.3-174.10000110P157 I158 Y159 H160 K211 I212 T213 V233P157-V231 HydrophobicContact CB-CG2 4.15Å; I158-V231 PolarHBondContact O-N 3Å; Y159-V231 CarbonylContact C-O 3.56Å; Y159-V231 WeakPolarHBondContact CA-O 3.48Å; Y159-V231 HydrophobicContact CD1-CB 3.77Å; Y159-V231 HydrophobicContact CD1-CG1 3.89Å; Y159-V231 HydrophobicContact CE1-CB 3.9Å; Y159-V231 HydrophobicContact CE1-CG1 3.82Å; Y159-V231 HydrophobicContact CE1-CG2 4.27Å; H160-V231 PolarHBondContact N-O 3.09Å; K211-V231 HydrophobicContact CB-CG1 3.89Å; K211-V231 HydrophobicContact CD-CG1 4.22Å; K211-V231 HydrophobicContact CG-CG1 4.23Å; I212-V231 CarbonylContact O-C 3.5Å; I212-V231 WeakPolarHBondContact O-CA 3.2Å; T213-V231 HydrophobicContact CG2-CG2 4.1Å; V231-V233 HydrophobicContact CG1-CG2 4.36Å
232F97.9Very high94Very high7 Ų761.3 Ų61.33%0.03131%0.308CS..EExtended strand (participates in β ladder)trans-87.5127.1170-70.3-86.3000110.3H160 L162 I177 I179 V198 I200 K211 I212 F214 V230H160-F232 HydrophobicContact CB-CD1 3.64Å; H160-F232 HydrophobicContact CB-CE1 3.58Å; H160-F232 HydrophobicContact CB-CG 4.46Å; H160-F232 HydrophobicContact CB-CZ 4.39Å; H160-F232 CarbonylContact O-C 3.53Å; H160-F232 VanDerWaalsContact O-CA 3.29Å; H160-F232 WeakPolarHBondContact O-CA 3.19Å; L162-F232 HydrophobicContact CB-CB 4.23Å; I177-F232 HydrophobicContact CB-CE1 4.4Å; I177-F232 HydrophobicContact CB-CZ 4.31Å; I177-F232 HydrophobicContact CD1-CD1 3.79Å; I177-F232 HydrophobicContact CD1-CE1 3.68Å; I177-F232 HydrophobicContact CD1-CG 4.41Å; I177-F232 HydrophobicContact CD1-CZ 4.19Å; I177-F232 HydrophobicContact CG2-CE1 3.69Å; I177-F232 HydrophobicContact CG2-CZ 3.75Å; I179-F232 HydrophobicContact CD1-CE2 3.92Å; I179-F232 HydrophobicContact CD1-CZ 4.21Å; I179-F232 HydrophobicContact CG1-CE2 4.19Å; I179-F232 HydrophobicContact CG1-CZ 3.96Å; V198-F232 HydrophobicContact CG2-CE2 4.11Å; V198-F232 HydrophobicContact CG2-CZ 4.45Å; I200-F232 HydrophobicContact CD1-CB 3.77Å; I200-F232 HydrophobicContact CD1-CD1 4.25Å; I200-F232 HydrophobicContact CD1-CD2 3.71Å; I200-F232 HydrophobicContact CD1-CE2 4.36Å; I200-F232 HydrophobicContact CD1-CG 3.62Å; K211-F232 CarbonylContact C-O 3.4Å; K211-F232 WeakPolarHBondContact CA-O 3.42Å; I212-F232 HydrophobicContact CB-CB 4.35Å; I212-F232 WeakPolarHBondContact CD1-O 2.74Å; I212-F232 PolarHBondContact N-O 3.29Å; I212-F232 PolarHBondContact O-N 2.64Å; F214-F232 AromaticContact CD2-CD2 3.7Å; F214-F232 HydrophobicContact CD2-CD2 3.7Å; F214-F232 AromaticContact CD2-CE2 3.86Å; F214-F232 HydrophobicContact CD2-CE2 3.86Å; F214-F232 AromaticContact CE2-CD2 3.55Å; F214-F232 HydrophobicContact CE2-CD2 3.55Å; F214-F232 AromaticContact CE2-CE2 3.84Å; F214-F232 HydrophobicContact CE2-CE2 3.84Å; V230-F232 HydrophobicContact CG1-CD2 4.33Å; V230-F232 HydrophobicContact CG1-CE2 3.75Å; V230-F232 HydrophobicContact CG1-CZ 4.2Å
233V97.5Very high94.5Very high25 Ų2563 Ų6315%0.15231%0.311CS..EExtended strand (participates in β ladder)trans-109.1118.7178.4-171.80000108.8Y159 H160 L162 K211 V231 K235Y159-V233 HydrophobicContact CD1-CG2 3.83Å; H160-V233 PolarHBondContact O-N 2.9Å; L162-V233 PolarHBondContact N-O 3.3Å; K211-V233 HydrophobicContact CG-CG2 4.29Å; V231-V233 HydrophobicContact CG1-CG2 4.36Å; V233-K235 PolarHBondContact O-N 3.02Å
234V97Very high95.1Very high1 Ų155.5 Ų55.51%0.00628%0.277CS..EExtended strand (participates in β ladder)trans-60125.3177.6176.10000109.7L162 V164 W206 G209 T210 I212L162-V234 HydrophobicContact CD2-CG2 4.23Å; L162-V234 WeakPolarHBondContact O-CA 3.34Å; V164-V234 HydrophobicContact CB-CG1 4.29Å; V164-V234 HydrophobicContact CG2-CG1 3.94Å; W206-V234 HydrophobicContact CE3-CG2 3.56Å; W206-V234 HydrophobicContact CZ3-CG2 3.93Å; G209-V234 PolarHBondContact N-O 3.4Å; T210-V234 HydrophobicContact CG2-CG2 4.45Å; T210-V234 WeakPolarHBondContact O-CG2 3.14Å; T210-V234 PolarHBondContact O-N 3.24Å; I212-V234 HydrophobicContact CD1-CG2 3.75Å
235K96.1Very high95.7Very high99 Ų9956.3 Ų56.343%0.4327%0.267SS..EExtended strand (participates in β ladder)trans-124.9135.4169.6-69.8-165.3179.1168.40109.4D161 L162 S163 V164 V233 R237D161-K235 HydrophobicContact CB-CD 4.07Å; D161-K235 HydrophobicContact CB-CG 4.48Å; D161-K235 VanDerWaalsContact CG-CD 3.44Å; D161-K235 WeakPolarHBondContact OD1-CD 3.36Å; D161-K235 WeakPolarHBondContact OD1-CE 3.41Å; D161-K235 IonicContact OD1-NZ 3.01Å; D161-K235 PolarHBondContact OD1-NZ 3.16Å; D161-K235 WeakPolarHBondContact OD2-CD 3.47Å; D161-K235 WeakPolarHBondContact OD2-CE 3.33Å; D161-K235 IonicContact OD2-NZ 3.89Å; D161-K235 PolarHBondContact OD2-NZ 3.43Å; L162-K235 PolarHBondContact O-N 2.93Å; S163-K235 WeakPolarHBondContact CA-O 3.15Å; V164-K235 PolarHBondContact N-O 2.86Å; V233-K235 PolarHBondContact O-N 3.02Å; K235-R237 PolarHBondContact O-N 3.33Å
236D95.9Very high95.9Very high55 Ų5556.4 Ų56.429%0.29428%0.278SS..EExtended strand (participates in β ladder)trans-64.3127.2174.1-60.7-41.9000108.9R244D236-R244 WeakPolarHBondContact OD1-CD 3.22Å; D236-R244 IonicContact OD1-CZ 3.23Å; D236-R244 IonicContact OD1-NH1 3.82Å; D236-R244 PolarHBondContact OD1-NH1 3.25Å; D236-R244 WeakPolarHBondContact OD2-CD 3.11Å
237R96.4Very high96.2Very high160 Ų16054.8 Ų54.860%0.60427%0.271SS*.PPolyproline II helixtrans-68.4132.8168.4-172.9179.2177.4-175-0.2107.9S163 V164 K235 H239S163-R237 WeakPolarHBondContact OG-CB 3.42Å; V164-R237 WeakPolarHBondContact O-CB 3.37Å; V164-R237 PolarHBondContact O-N 3.1Å; K235-R237 PolarHBondContact O-N 3.33Å; R237-H239 PolarHBondContact O-N 3.29Å
238T95.4Very high96.4Very high138 Ų13855.2 Ų55.285%0.84727%0.272SS*.PPolyproline II helixtrans-52.5124.5174.2-52.80000110.3
239H95.7Very high96.5Very high43 Ų4355 Ų5520%0.19927%0.271CS..PPolyproline II helixtrans-102.1147.7179.3-168.7-93000110.5L166 Q167 R237 H241 F242L166-H239 HydrophobicContact CD1-CB 3.79Å; L166-H239 HydrophobicContact CG-CB 4.22Å; Q167-H239 PolarHBondContact NE2-NE2 3.13Å; R237-H239 PolarHBondContact O-N 3.29Å; H239-H241 VanDerWaalsContact C-N 3.3Å; H239-H241 PolarHBondContact ND1-N 3.04Å; H239-H241 PolarHBondContact O-N 3.48Å; H239-F242 WeakPolarHBondContact CB-O 3.23Å; H239-F242 AromaticContact CE1-CD2 3.21Å; H239-F242 WeakPolarHBondContact CE1-CD2 3.44Å; H239-F242 AromaticContact CE1-CE2 3.58Å; H239-F242 AromaticContact ND1-CD2 3.23Å; H239-F242 WeakPolarHBondContact ND1-CD2 3.41Å; H239-F242 AromaticContact ND1-CG 3.87Å; H239-F242 PolarHBondContact ND1-N 3.44Å
240K95.3Very high96.6Very high179 Ų17956 Ų5678%0.77827%0.271SS*.SBendtrans-61.9-36.7-176.3-177.4-179.1173.8-169.30113.2
241H96Very high96.6Very high76 Ų7657.5 Ų57.535%0.35228%0.277SS..SBendtrans-117.8-25.8-169.5-66.5-54.2000114.4H239 Y251 P269H239-H241 VanDerWaalsContact C-N 3.3Å; H239-H241 PolarHBondContact ND1-N 3.04Å; H239-H241 PolarHBondContact O-N 3.48Å; H241-Y251 HydrophobicContact CB-CD2 4Å; H241-Y251 HydrophobicContact CB-CE2 3.9Å; H241-Y251 VanDerWaalsContact O-CD2 3.3Å; H241-Y251 WeakPolarHBondContact O-CD2 3.16Å; H241-P269 HydrophobicContact CB-CG 4.16Å
242F97.6Very high96.6Very high10 Ų1060.3 Ų60.34%0.04429%0.294CS..EExtended strand (participates in β ladder)trans-122144.9-165.8-56-62.5000110.9L166 H239 V249 R250 Y251 P269 T270 I271 M309L166-F242 HydrophobicContact CD1-CB 3.66Å; L166-F242 HydrophobicContact CD1-CD2 4.42Å; L166-F242 HydrophobicContact CD1-CG 4.49Å; H239-F242 WeakPolarHBondContact CB-O 3.23Å; H239-F242 AromaticContact CE1-CD2 3.21Å; H239-F242 WeakPolarHBondContact CE1-CD2 3.44Å; H239-F242 AromaticContact CE1-CE2 3.58Å; H239-F242 AromaticContact ND1-CD2 3.23Å; H239-F242 WeakPolarHBondContact ND1-CD2 3.41Å; H239-F242 AromaticContact ND1-CG 3.87Å; H239-F242 PolarHBondContact ND1-N 3.44Å; F242-V249 HydrophobicContact CB-CB 4.39Å; F242-V249 HydrophobicContact CD1-CG2 4.39Å; F242-R250 VanDerWaalsContact CA-O 3.31Å; F242-R250 WeakPolarHBondContact CA-O 3.29Å; F242-Y251 AromaticContact CD1-CD2 3.93Å; F242-Y251 HydrophobicContact CD1-CD2 3.93Å; F242-Y251 HydrophobicContact CD1-CG 4.28Å; F242-Y251 AromaticContact CE1-CD2 3.59Å; F242-Y251 HydrophobicContact CE1-CD2 3.59Å; F242-Y251 AromaticContact CE1-CG 3.93Å; F242-Y251 HydrophobicContact CE1-CG 3.93Å; F242-Y251 HydrophobicContact CZ-CD2 4.41Å; F242-P269 HydrophobicContact CZ-CB 4.21Å; F242-P269 HydrophobicContact CZ-CG 3.99Å; F242-P269 VanDerWaalsContact CZ-O 3.23Å; F242-P269 WeakPolarHBondContact CZ-O 3.48Å; F242-T270 WeakPolarHBondContact CE2-O 3.38Å; F242-I271 HydrophobicContact CD2-CG1 4.02Å; F242-I271 HydrophobicContact CE2-CG1 4.13Å; F242-M309 HydrophobicContact CD1-CE 4.29Å; F242-M309 HydrophobicContact CE1-CE 3.48Å; F242-M309 VanDerWaalsContact CE1-CE 3.48Å; F242-M309 HydrophobicContact CE1-SD 4Å; F242-M309 HydrophobicContact CZ-CE 3.87Å
243K97.1Very high96.6Very high142 Ų14260.1 Ų60.162%0.61729%0.294SS*.EExtended strand (participates in β ladder)trans-113.3129.5165.4-175.9-179.4177.4-172.40108.2V249 R250K243-V249 CarbonylContact O-C 3.55Å; K243-V249 WeakPolarHBondContact O-CA 3.31Å; K243-R250 PolarHBondContact N-O 3.15Å; K243-R250 PolarHBondContact O-N 2.68Å
244R97.1Very high96.6Very high27 Ų2766.1 Ų66.110%0.10232%0.318CS..EExtended strand (participates in β ladder)trans-73.7135.4177.8-172.1-179.2-176.7170.45111L166 W206 D236 G246 L297L166-R244 HydrophobicContact CD2-CB 3.98Å; L166-R244 HydrophobicContact CD2-CG 4.45Å; W206-R244 PolarHBondContact O-NH1 3.21Å; W206-R244 PolarHBondContact O-NH2 3.06Å; D236-R244 WeakPolarHBondContact OD1-CD 3.22Å; D236-R244 IonicContact OD1-CZ 3.23Å; D236-R244 IonicContact OD1-NH1 3.82Å; D236-R244 PolarHBondContact OD1-NH1 3.25Å; D236-R244 WeakPolarHBondContact OD2-CD 3.11Å; R244-G246 PolarHBondContact NE-O 3.48Å; R244-G246 PolarHBondContact NH2-O 2.81Å; R244-L297 HydrophobicContact CG-CD1 3.72Å; R244-L297 VanDerWaalsContact NE-CD1 3.3Å
245E95.4Very high96.6Very high69 Ų6966.2 Ų66.232%0.32232%0.318SS..EExtended strand (participates in β ladder)trans-130.780.5172.7-68-174.4178.200108.9S247 D248 R250E245-S247 PolarHBondContact O-N 3.32Å; E245-D248 CarbonylContact C-O 3.39Å; E245-D248 PolarHBondContact N-O 2.98Å; E245-D248 PolarHBondContact O-N 3.38Å; E245-R250 IonicContact OE1-CZ 3.7Å; E245-R250 IonicContact OE1-NE 3.6Å; E245-R250 PolarHBondContact OE1-NE 3.27Å; E245-R250 IonicContact OE1-NH2 2.81Å; E245-R250 IonicContact OE2-CZ 3.07Å; E245-R250 IonicContact OE2-NE 3.54Å; E245-R250 PolarHBondContact OE2-NE 3.36Å; E245-R250 IonicContact OE2-NH2 2.98Å; E245-R250 PolarHBondContact OE2-NH2 2.84Å
246G93.9Very high96.6Very high43 Ų4363.6 Ų63.644%0.44331%0.313SS..THydrogen-bonded Turntrans70.8-115.4-175.100000112.1R244R244-G246 PolarHBondContact NE-O 3.48Å; R244-G246 PolarHBondContact NH2-O 2.81Å
247S96.5Very high96.6Very high11 Ų1163 Ų638%0.07731%0.309CS..THydrogen-bonded Turntrans-93.3-12.5170.9-62.60000112.4E245 L297 F299E245-S247 PolarHBondContact O-N 3.32Å; S247-L297 PolarHBondContact O-N 2.93Å; S247-F299 WeakPolarHBondContact OG-CD1 3.47Å; S247-F299 WeakPolarHBondContact OG-CE1 3.11Å
248D97.8Very high96.6Very high26 Ų2663 Ų6314%0.13931%0.314CS..EExtended strand (participates in β ladder)trans-89.8163.2176.7-66.2-8.2000109.4E245 R291 G307 D308 I310E245-D248 CarbonylContact C-O 3.39Å; E245-D248 PolarHBondContact N-O 2.98Å; E245-D248 PolarHBondContact O-N 3.38Å; D248-R291 IonicContact OD1-NH2 3.58Å; D248-R291 IonicContact OD2-CZ 2.72Å; D248-R291 IonicContact OD2-NH2 3.25Å; D248-R291 PolarHBondContact OD2-NH2 3.02Å; D248-G307 VanDerWaalsContact OD1-CA 3.29Å; D248-G307 WeakPolarHBondContact OD1-CA 3.05Å; D248-D308 CarbonylContact C-O 3.54Å; D248-D308 WeakPolarHBondContact CA-O 3.28Å; D248-D308 VanDerWaalsContact CB-O 3.29Å; D248-D308 WeakPolarHBondContact CB-O 3.18Å; D248-D308 PolarHBondContact OD1-N 3.31Å; D248-I310 HydrophobicContact CB-CD1 4.26Å
249V97.6Very high96.7Very high0 Ų059.1 Ų59.10%029%0.286CS..EExtended strand (participates in β ladder)trans-129139.1173.1-62.60000110.5F242 K243 I271 L297 D308 M309 I310F242-V249 HydrophobicContact CB-CB 4.39Å; F242-V249 HydrophobicContact CD1-CG2 4.39Å; K243-V249 CarbonylContact O-C 3.55Å; K243-V249 WeakPolarHBondContact O-CA 3.31Å; V249-I271 HydrophobicContact CG1-CD1 3.83Å; V249-I271 HydrophobicContact CG2-CD1 4.19Å; V249-L297 HydrophobicContact CG1-CD1 4.2Å; V249-L297 HydrophobicContact CG1-CG 4.04Å; V249-D308 PolarHBondContact N-O 2.72Å; V249-M309 HydrophobicContact CG2-CB 4.04Å; V249-M309 HydrophobicContact CG2-CE 4.31Å; V249-M309 HydrophobicContact CG2-CG 4.07Å; V249-M309 CarbonylContact O-C 3.55Å; V249-M309 WeakPolarHBondContact O-CA 3.48Å; V249-I310 PolarHBondContact O-N 3.29Å
250R98Very high96.7Very high57 Ų5757.1 Ų57.122%0.21528%0.277CS..EExtended strand (participates in β ladder)trans-98.7131.7175.7-175.3176.3-63.7-84-14.9110.6F242 K243 E245 I310 E312F242-R250 VanDerWaalsContact CA-O 3.31Å; F242-R250 WeakPolarHBondContact CA-O 3.29Å; K243-R250 PolarHBondContact N-O 3.15Å; K243-R250 PolarHBondContact O-N 2.68Å; E245-R250 IonicContact OE1-CZ 3.7Å; E245-R250 IonicContact OE1-NE 3.6Å; E245-R250 PolarHBondContact OE1-NE 3.27Å; E245-R250 IonicContact OE1-NH2 2.81Å; E245-R250 IonicContact OE2-CZ 3.07Å; E245-R250 IonicContact OE2-NE 3.54Å; E245-R250 PolarHBondContact OE2-NE 3.36Å; E245-R250 IonicContact OE2-NH2 2.98Å; E245-R250 PolarHBondContact OE2-NH2 2.84Å; R250-I310 CarbonylContact C-O 3.51Å; R250-I310 VanDerWaalsContact CA-O 3.31Å; R250-I310 WeakPolarHBondContact CA-O 3.5Å; R250-E312 IonicContact CZ-OE2 2.83Å; R250-E312 IonicContact NH1-OE2 3.93Å; R250-E312 PolarHBondContact NH1-OE2 3.4Å
251Y98Very high96.8Very high33 Ų3351.9 Ų51.913%0.12926%0.257CS..EExtended strand (participates in β ladder)trans-122133.2173.1178.1-107.1000109.8H241 F242 A253 I268 P269 I310 V311 E312H241-Y251 HydrophobicContact CB-CD2 4Å; H241-Y251 HydrophobicContact CB-CE2 3.9Å; H241-Y251 VanDerWaalsContact O-CD2 3.3Å; H241-Y251 WeakPolarHBondContact O-CD2 3.16Å; F242-Y251 AromaticContact CD1-CD2 3.93Å; F242-Y251 HydrophobicContact CD1-CD2 3.93Å; F242-Y251 HydrophobicContact CD1-CG 4.28Å; F242-Y251 AromaticContact CE1-CD2 3.59Å; F242-Y251 HydrophobicContact CE1-CD2 3.59Å; F242-Y251 AromaticContact CE1-CG 3.93Å; F242-Y251 HydrophobicContact CE1-CG 3.93Å; F242-Y251 HydrophobicContact CZ-CD2 4.41Å; Y251-A253 HydrophobicContact CD1-CB 4.01Å; Y251-A253 HydrophobicContact CE1-CB 3.68Å; Y251-I268 HydrophobicContact CD1-CG1 4.28Å; Y251-I268 HydrophobicContact CD1-CG2 3.61Å; Y251-I268 HydrophobicContact CE1-CB 4.28Å; Y251-I268 HydrophobicContact CE1-CG1 3.94Å; Y251-I268 HydrophobicContact CE1-CG2 3.76Å; Y251-I268 HydrophobicContact CG-CG2 4.16Å; Y251-P269 HydrophobicContact CD2-CG 4.25Å; Y251-P269 HydrophobicContact CE2-CG 3.61Å; Y251-P269 WeakPolarHBondContact OH-CD 3.47Å; Y251-I310 PolarHBondContact N-O 3Å; Y251-V311 HydrophobicContact CD1-CG1 4.34Å; Y251-V311 WeakPolarHBondContact O-CA 3.24Å; Y251-E312 PolarHBondContact O-N 3.5Å
252V97.5Very high96.7Very high65 Ų6553.3 Ų53.339%0.39427%0.274SS..EExtended strand (participates in β ladder)trans-96.6105.1174.5-178.20000109E312 Q314V252-E312 CarbonylContact C-O 3.05Å; V252-E312 WeakPolarHBondContact CA-O 3.48Å; V252-Q314 HydrophobicContact CG1-CB 3.84Å
253A97.1Very high96.6Very high4 Ų453.5 Ų53.53%0.03328%0.279CS..EExtended strand (participates in β ladder)trans-86.6111.9176.600000110.1Y251 I255 I266 V311 E312 F313 Q314Y251-A253 HydrophobicContact CD1-CB 4.01Å; Y251-A253 HydrophobicContact CE1-CB 3.68Å; A253-I255 PolarHBondContact O-N 3.35Å; A253-I266 HydrophobicContact CB-CD1 4.35Å; A253-V311 HydrophobicContact CB-CG1 3.62Å; A253-E312 PolarHBondContact N-O 3.49Å; A253-F313 HydrophobicContact CB-CD1 3.99Å; A253-F313 HydrophobicContact CB-CE1 4.25Å; A253-F313 WeakPolarHBondContact O-CA 3.38Å; A253-Q314 PolarHBondContact O-N 3.46Å
254K96.5Very high96.5Very high151 Ų15147.9 Ų47.966%0.65726%0.262SS*.EExtended strand (participates in β ladder)trans-78.4119.5171.3-67-175.7180-176.70109.5Q314 V316K254-Q314 WeakPolarHBondContact CA-O 3.28Å; K254-Q314 HydrophobicContact CG-CB 4.37Å; K254-V316 HydrophobicContact CB-CG2 4.19Å
255I97.2Very high96.4Very high2 Ų250.5 Ų50.51%0.0128%0.281CS..EExtended strand (participates in β ladder)trans-125145.8178.564.5172.7000110A253 Q259 A260 I266 L280 I284 F313 Q314 I315 V316A253-I255 PolarHBondContact O-N 3.35Å; I255-Q259 HydrophobicContact CB-CB 4.26Å; I255-A260 HydrophobicContact CD1-CB 3.9Å; I255-A260 HydrophobicContact CG1-CB 4.47Å; I255-I266 HydrophobicContact CG2-CD1 4.25Å; I255-I266 HydrophobicContact CG2-CG2 3.87Å; I255-L280 HydrophobicContact CD1-CD1 4.19Å; I255-L280 HydrophobicContact CG2-CD1 4.4Å; I255-I284 HydrophobicContact CD1-CB 4.06Å; I255-I284 HydrophobicContact CD1-CG1 4.27Å; I255-I284 HydrophobicContact CD1-CG2 3.93Å; I255-F313 HydrophobicContact CD1-CB 4.06Å; I255-F313 HydrophobicContact CD1-CD1 3.95Å; I255-F313 HydrophobicContact CD1-CG 4.23Å; I255-F313 HydrophobicContact CG1-CB 4.49Å; I255-F313 HydrophobicContact CG2-CD1 4.14Å; I255-Q314 PolarHBondContact N-O 3.18Å; I255-I315 HydrophobicContact CD1-CG1 4.43Å; I255-I315 HydrophobicContact CG1-CG1 4.28Å; I255-I315 CarbonylContact O-C 3.58Å; I255-I315 WeakPolarHBondContact O-CA 3.47Å; I255-V316 PolarHBondContact O-N 3.32Å
256S97Very high96.5Very high44 Ų4447.9 Ų47.931%0.30827%0.269SS..EExtended strand (participates in β ladder)trans-69.8155.5174.661.70000111.4K258 Q259 A260S256-K258 PolarHBondContact O-N 3.29Å; S256-Q259 PolarHBondContact O-N 3.1Å; S256-Q259 WeakPolarHBondContact OG-CG 3.48Å; S256-Q259 PolarHBondContact OG-N 3.43Å; S256-Q259 VanDerWaalsContact OG-N 3.13Å; S256-Q259 PolarHBondContact OG-OE1 3.4Å; S256-A260 PolarHBondContact O-N 3.09Å
257L96.2Very high96.6Very high43 Ų4348.3 Ų48.323%0.22527%0.265CS..Hα-helixtrans-53-36.8170.5-177.164.1000112.2A260 L261 I315 V316 F317L257-A260 PolarHBondContact O-N 2.89Å; L257-L261 HydrophobicContact CD1-CD1 3.92Å; L257-L261 HydrophobicContact CD1-CG 4.05Å; L257-L261 HydrophobicContact CG-CD1 3.92Å; L257-L261 HydrophobicContact CG-CG 4.36Å; L257-L261 WeakPolarHBondContact O-CG 3.43Å; L257-L261 PolarHBondContact O-N 3.25Å; L257-I315 HydrophobicContact CB-CG2 4.28Å; L257-I315 HydrophobicContact CD1-CG2 4.07Å; L257-V316 PolarHBondContact N-O 3.48Å; L257-F317 HydrophobicContact CD1-CE1 3.94Å; L257-F317 HydrophobicContact CD1-CE2 4.42Å; L257-F317 HydrophobicContact CD1-CZ 3.89Å; L257-F317 HydrophobicContact CD2-CD1 3.79Å; L257-F317 HydrophobicContact CD2-CE1 3.76Å; L257-F317 HydrophobicContact CG-CE1 4.42Å
258K95.4Very high96.6Very high160 Ų16047.9 Ų47.970%0.69626%0.262SS*.Hα-helixtrans-60.2-49174.1-179.3-176.2175.7-178.30111.7S256 A260 L261 C262S256-K258 PolarHBondContact O-N 3.29Å; K258-A260 VanDerWaalsContact C-N 3.27Å; K258-A260 PolarHBondContact O-N 2.91Å; K258-L261 PolarHBondContact O-N 3.11Å; K258-C262 HydrophobicContact CG-CB 4.49Å; K258-C262 WeakPolarHBondContact O-CA 3.41Å; K258-C262 VanDerWaalsContact O-CB 3.28Å; K258-C262 WeakPolarHBondContact O-CB 3.49Å; K258-C262 PolarHBondContact O-N 3.38Å
259Q96.9Very high96.5Very high56 Ų5647.7 Ų47.726%0.26226%0.262SS..Hα-helixtrans-63.6-35.5177.9-76.1164.6-47.900111.9I255 S256 G263 L280I255-Q259 HydrophobicContact CB-CB 4.26Å; S256-Q259 PolarHBondContact O-N 3.1Å; S256-Q259 WeakPolarHBondContact OG-CG 3.48Å; S256-Q259 PolarHBondContact OG-N 3.43Å; S256-Q259 VanDerWaalsContact OG-N 3.13Å; S256-Q259 PolarHBondContact OG-OE1 3.4Å; Q259-G263 WeakPolarHBondContact CA-O 3.02Å; Q259-G263 CarbonylContact O-C 3.54Å; Q259-G263 VanDerWaalsContact O-CA 3.22Å; Q259-G263 WeakPolarHBondContact O-CA 3.25Å; Q259-G263 PolarHBondContact O-N 2.86Å; Q259-G263 VanDerWaalsContact O-N 3.09Å; Q259-L280 HydrophobicContact CB-CD1 4.29Å
260A97Very high96.4Very high1 Ų148.6 Ų48.61%0.00827%0.268CS..Hα-helixtrans-68.3-3817800000113I255 S256 L257 K258 I283 I284 I315I255-A260 HydrophobicContact CD1-CB 3.9Å; I255-A260 HydrophobicContact CG1-CB 4.47Å; S256-A260 PolarHBondContact O-N 3.09Å; L257-A260 PolarHBondContact O-N 2.89Å; K258-A260 VanDerWaalsContact C-N 3.27Å; K258-A260 PolarHBondContact O-N 2.91Å; A260-I283 CarbonylContact O-C 3.57Å; A260-I283 WeakPolarHBondContact O-CA 3.29Å; A260-I284 HydrophobicContact CB-CB 4.25Å; A260-I284 PolarHBondContact O-N 3.17Å; A260-I315 HydrophobicContact CB-CD1 3.9Å; A260-I315 HydrophobicContact CB-CG1 4.07Å; A260-I315 HydrophobicContact CB-CG2 4.1Å
261L96.2Very high96.3Very high70 Ų7046.1 Ų46.137%0.36626%0.259SS..Hα-helixtrans-90.9-38.4-177.4-65.2178.6000113.8L257 K258 I283 L333L257-L261 HydrophobicContact CD1-CD1 3.92Å; L257-L261 HydrophobicContact CD1-CG 4.05Å; L257-L261 HydrophobicContact CG-CD1 3.92Å; L257-L261 HydrophobicContact CG-CG 4.36Å; L257-L261 WeakPolarHBondContact O-CG 3.43Å; L257-L261 PolarHBondContact O-N 3.25Å; K258-L261 PolarHBondContact O-N 3.11Å; L261-I283 HydrophobicContact CD2-CG2 4.1Å; L261-L333 HydrophobicContact CD1-CD2 4.34Å
262C95.3Very high96Very high105 Ų10548.5 Ų48.571%0.70927%0.273SS*.Hα-helixtrans-105.2-3.4-172.6-54.10000113.3K258K258-C262 HydrophobicContact CG-CB 4.49Å; K258-C262 WeakPolarHBondContact O-CA 3.41Å; K258-C262 VanDerWaalsContact O-CB 3.28Å; K258-C262 WeakPolarHBondContact O-CB 3.49Å; K258-C262 PolarHBondContact O-N 3.38Å
263G95.4Very high95.6Very high15 Ų1553.7 Ų53.716%0.15529%0.294CS..  trans74-168.5-172.500000113.4Q259 L280Q259-G263 WeakPolarHBondContact CA-O 3.02Å; Q259-G263 CarbonylContact O-C 3.54Å; Q259-G263 VanDerWaalsContact O-CA 3.22Å; Q259-G263 WeakPolarHBondContact O-CA 3.25Å; Q259-G263 PolarHBondContact O-N 2.86Å; Q259-G263 VanDerWaalsContact O-N 3.09Å; G263-L280 CarbonylContact C-O 3.58Å; G263-L280 WeakPolarHBondContact CA-O 3.5Å
264G94.5Very high95.4Very high24 Ų2455 Ų5525%0.24731%0.308CS..EExtended strand (participates in β ladder)trans140.4-177.7-176.400000111.7Q279 L280G264-Q279 PolarHBondContact O-NE2 3.41Å; G264-L280 PolarHBondContact N-O 3.38Å; G264-L280 WeakPolarHBondContact O-CB 3.39Å; G264-L280 PolarHBondContact O-N 3.16Å
265T96Very high95.4Very high81 Ų8154.8 Ų54.850%0.49731%0.309SS..EExtended strand (participates in β ladder)trans-103.8136.3177.4-40.80000109.9N277 I278 Q279T265-N277 HydrophobicContact CG2-CB 4.03Å; T265-I278 WeakPolarHBondContact CA-O 3.31Å; T265-Q279 PolarHBondContact OG1-OE1 2.99Å
266I95.6Very high95.3Very high15 Ų1556.5 Ų56.58%0.07732%0.318CS..EExtended strand (participates in β ladder)trans-119.5143.2171.663.6171.7000109.6A253 I255 I268 N277 I278 L280 F313A253-I266 HydrophobicContact CB-CD1 4.35Å; I255-I266 HydrophobicContact CG2-CD1 4.25Å; I255-I266 HydrophobicContact CG2-CG2 3.87Å; I266-I268 HydrophobicContact CD1-CD1 3.85Å; I266-I268 HydrophobicContact CD1-CG1 4.18Å; I266-I268 HydrophobicContact CG1-CD1 4.28Å; I266-I268 HydrophobicContact CG1-CG1 4.39Å; I266-N277 CarbonylContact O-C 3.59Å; I266-N277 WeakPolarHBondContact O-CA 3.46Å; I266-I278 HydrophobicContact CD1-CB 4.45Å; I266-I278 HydrophobicContact CG1-CB 3.92Å; I266-I278 HydrophobicContact CG1-CG2 4.5Å; I266-I278 PolarHBondContact N-O 3.45Å; I266-I278 PolarHBondContact O-N 3.15Å; I266-L280 HydrophobicContact CD1-CD1 4.48Å; I266-L280 HydrophobicContact CD1-CD2 4.17Å; I266-L280 HydrophobicContact CG2-CD1 3.86Å; I266-L280 HydrophobicContact CG2-CG 4.41Å; I266-F313 HydrophobicContact CD1-CD1 4.43Å; I266-F313 HydrophobicContact CD1-CE1 3.64Å
267S96.3Very high95.2Very high52 Ų5260 Ų6036%0.36433%0.333SS..EExtended strand (participates in β ladder)trans-101.4125.7173.1177.20000109.4Q275 N277S267-Q275 PolarHBondContact OG-OE1 3.08Å; S267-N277 WeakPolarHBondContact CB-OD1 3.25Å
268I96.4Very high95.1Very high1 Ų158.3 Ų58.31%0.00532%0.324CS..EExtended strand (participates in β ladder)trans-114.8128.1-178.5-67.1165.1000108.1Y251 I266 Q275 I276 I278 I292 M309 V311Y251-I268 HydrophobicContact CD1-CG1 4.28Å; Y251-I268 HydrophobicContact CD1-CG2 3.61Å; Y251-I268 HydrophobicContact CE1-CB 4.28Å; Y251-I268 HydrophobicContact CE1-CG1 3.94Å; Y251-I268 HydrophobicContact CE1-CG2 3.76Å; Y251-I268 HydrophobicContact CG-CG2 4.16Å; I266-I268 HydrophobicContact CD1-CD1 3.85Å; I266-I268 HydrophobicContact CD1-CG1 4.18Å; I266-I268 HydrophobicContact CG1-CD1 4.28Å; I266-I268 HydrophobicContact CG1-CG1 4.39Å; I268-Q275 CarbonylContact O-C 3.58Å; I268-Q275 VanDerWaalsContact O-CA 3.29Å; I268-Q275 WeakPolarHBondContact O-CA 3.33Å; I268-I276 PolarHBondContact N-O 2.95Å; I268-I276 PolarHBondContact O-N 2.94Å; I268-I278 HydrophobicContact CD1-CB 4.37Å; I268-I278 HydrophobicContact CD1-CD1 3.41Å; I268-I278 VanDerWaalsContact CD1-CD1 3.41Å; I268-I278 HydrophobicContact CD1-CG1 3.87Å; I268-I292 HydrophobicContact CD1-CD1 4.37Å; I268-M309 HydrophobicContact CG2-SD 3.63Å; I268-V311 HydrophobicContact CD1-CG1 3.95Å; I268-V311 HydrophobicContact CD1-CG2 3.87Å
269P97Very high95.1Very high23 Ų2355.1 Ų55.115%0.14931%0.312CS..EExtended strand (participates in β ladder)trans-63.3158.7175.827.5-34000111.1H241 F242 Y251 G274H241-P269 HydrophobicContact CB-CG 4.16Å; F242-P269 HydrophobicContact CZ-CB 4.21Å; F242-P269 HydrophobicContact CZ-CG 3.99Å; F242-P269 VanDerWaalsContact CZ-O 3.23Å; F242-P269 WeakPolarHBondContact CZ-O 3.48Å; Y251-P269 HydrophobicContact CD2-CG 4.25Å; Y251-P269 HydrophobicContact CE2-CG 3.61Å; Y251-P269 WeakPolarHBondContact OH-CD 3.47Å; P269-G274 CarbonylContact C-O 3.56Å; P269-G274 WeakPolarHBondContact CA-O 3.42Å
270T95.7Very high95.1Very high19 Ų1952.6 Ų52.612%0.11730%0.3CS..  trans-108.5170.1167.467.60000110.9F242 D272 E273 G274 I276F242-T270 WeakPolarHBondContact CE2-O 3.38Å; T270-D272 PolarHBondContact O-N 2.99Å; T270-E273 PolarHBondContact O-N 2.88Å; T270-G274 PolarHBondContact N-O 2.92Å; T270-G274 VanDerWaalsContact OG1-CA 3.3Å; T270-G274 WeakPolarHBondContact OG1-CA 3.4Å; T270-G274 PolarHBondContact OG1-N 2.83Å; T270-I276 HydrophobicContact CG2-CD1 3.62Å; T270-I276 HydrophobicContact CG2-CG1 3.6Å
271I95.3Very high94.9Very high4 Ų458.1 Ų58.12%0.02133%0.334CS..THydrogen-bonded Turntrans-62.3-37.2175.9-59.6173.9000110.3L166 Q167 L170 F242 V249 E273 L297L166-I271 HydrophobicContact CB-CG2 3.9Å; Q167-I271 HydrophobicContact CG-CG2 4.08Å; Q167-I271 WeakPolarHBondContact CG-O 3.49Å; Q167-I271 PolarHBondContact NE2-O 3.21Å; L170-I271 HydrophobicContact CD2-CB 3.96Å; L170-I271 HydrophobicContact CD2-CG2 3.78Å; F242-I271 HydrophobicContact CD2-CG1 4.02Å; F242-I271 HydrophobicContact CE2-CG1 4.13Å; V249-I271 HydrophobicContact CG1-CD1 3.83Å; V249-I271 HydrophobicContact CG2-CD1 4.19Å; I271-E273 PolarHBondContact O-N 3.41Å; I271-E273 VanDerWaalsContact O-N 3.12Å; I271-L297 HydrophobicContact CD1-CD2 3.74Å; I271-L297 HydrophobicContact CD1-CG 4.19Å
272D91.3Very high94.8Very high83 Ų8361.9 Ų61.944%0.44435%0.35SS..THydrogen-bonded Turntrans-82.827179.3-71-12.3000113.7L170 H171 T270 G274L170-D272 WeakPolarHBondContact CD2-OD1 3.26Å; H171-D272 VanDerWaalsContact CE1-CG 3.49Å; H171-D272 IonicContact CE1-OD1 3.98Å; H171-D272 PolarHBondContact CE1-OD1 3.29Å; H171-D272 IonicContact CE1-OD2 3.9Å; H171-D272 VanDerWaalsContact NE2-CG 3.32Å; H171-D272 IonicContact NE2-OD1 3.77Å; H171-D272 PolarHBondContact NE2-OD1 3.1Å; H171-D272 IonicContact NE2-OD2 3.21Å; H171-D272 PolarHBondContact NE2-OD2 3.46Å; H171-D272 VanDerWaalsContact NE2-OD2 3.07Å; T270-D272 PolarHBondContact O-N 2.99Å; D272-G274 PolarHBondContact O-N 3.43Å
273E88.4Confident94.9Very high175 Ų17561.9 Ų61.982%0.81834%0.341SS*.SBendtrans61.89.8177.5-52.3-173.5168.300115.5T270 I271T270-E273 PolarHBondContact O-N 2.88Å; I271-E273 PolarHBondContact O-N 3.41Å; I271-E273 VanDerWaalsContact O-N 3.12Å
274G94.1Very high94.9Very high32 Ų3262 Ų6233%0.3334%0.338SS..  trans-81.6-170.9170.900000113P269 T270 D272P269-G274 CarbonylContact C-O 3.56Å; P269-G274 WeakPolarHBondContact CA-O 3.42Å; T270-G274 PolarHBondContact N-O 2.92Å; T270-G274 VanDerWaalsContact OG1-CA 3.3Å; T270-G274 WeakPolarHBondContact OG1-CA 3.4Å; T270-G274 PolarHBondContact OG1-N 2.83Å; D272-G274 PolarHBondContact O-N 3.43Å
275Q95.5Very high94.9Very high145 Ų14567.5 Ų67.568%0.67836%0.355SS*.EExtended strand (participates in β ladder)trans-139.3145.9177.6-67.9-174-1000112S267 I268S267-Q275 PolarHBondContact OG-OE1 3.08Å; I268-Q275 CarbonylContact O-C 3.58Å; I268-Q275 VanDerWaalsContact O-CA 3.29Å; I268-Q275 WeakPolarHBondContact O-CA 3.33Å
276I95.4Very high94.8Very high38 Ų3868.7 Ų68.720%0.19536%0.364CS..EExtended strand (participates in β ladder)trans-119.3123.8173.1-61169.5000108.1I268 T270 I278 I292 Q295I268-I276 PolarHBondContact N-O 2.95Å; I268-I276 PolarHBondContact O-N 2.94Å; T270-I276 HydrophobicContact CG2-CD1 3.62Å; T270-I276 HydrophobicContact CG2-CG1 3.6Å; I276-I278 HydrophobicContact CG2-CG1 4.17Å; I276-I292 HydrophobicContact CD1-CD1 4.5Å; I276-I292 HydrophobicContact CD1-CG2 4.39Å; I276-Q295 HydrophobicContact CD1-CB 4.41Å; I276-Q295 HydrophobicContact CD1-CG 3.52Å
277N96.1Very high94.7Very high117 Ų11771 Ų7163%0.62639%0.392SS*.EExtended strand (participates in β ladder)trans-86.6122.6173.4-68.2-35.3000109.8T265 I266 S267T265-N277 HydrophobicContact CG2-CB 4.03Å; I266-N277 CarbonylContact O-C 3.59Å; I266-N277 WeakPolarHBondContact O-CA 3.46Å; S267-N277 WeakPolarHBondContact CB-OD1 3.25Å
278I93.9Very high94.6Very high8 Ų871.7 Ų71.74%0.04139%0.391CS..EExtended strand (participates in β ladder)trans-110.6126.3175.8-64.4-165.3000109.6T265 I266 I268 I276 L280 R290 I292T265-I278 WeakPolarHBondContact CA-O 3.31Å; I266-I278 HydrophobicContact CD1-CB 4.45Å; I266-I278 HydrophobicContact CG1-CB 3.92Å; I266-I278 HydrophobicContact CG1-CG2 4.5Å; I266-I278 PolarHBondContact N-O 3.45Å; I266-I278 PolarHBondContact O-N 3.15Å; I268-I278 HydrophobicContact CD1-CB 4.37Å; I268-I278 HydrophobicContact CD1-CD1 3.41Å; I268-I278 VanDerWaalsContact CD1-CD1 3.41Å; I268-I278 HydrophobicContact CD1-CG1 3.87Å; I276-I278 HydrophobicContact CG2-CG1 4.17Å; I278-L280 HydrophobicContact CG2-CD2 4.23Å; I278-R290 VanDerWaalsContact CG2-CZ 3.41Å; I278-I292 HydrophobicContact CD1-CD1 3.54Å; I278-I292 HydrophobicContact CD1-CG1 3.76Å
279Q95.6Very high94.6Very high94 Ų9475.1 Ų75.144%0.43941%0.412SS..EExtended strand (participates in β ladder)trans-81126.2166.8-164.865.63200110.2G264 T265 T281 R290G264-Q279 PolarHBondContact O-NE2 3.41Å; T265-Q279 PolarHBondContact OG1-OE1 2.99Å; Q279-T281 HydrophobicContact CG-CG2 3.89Å; Q279-R290 PolarHBondContact O-NH1 3.21Å
280L95.6Very high94.5Very high3 Ų379.1 Ų79.12%0.01642%0.424CS..EExtended strand (participates in β ladder)trans-93.1111.3167.8-53.7-179.7000107.6I255 Q259 G263 G264 I266 I278 I284 F313I255-L280 HydrophobicContact CD1-CD1 4.19Å; I255-L280 HydrophobicContact CG2-CD1 4.4Å; Q259-L280 HydrophobicContact CB-CD1 4.29Å; G263-L280 CarbonylContact C-O 3.58Å; G263-L280 WeakPolarHBondContact CA-O 3.5Å; G264-L280 PolarHBondContact N-O 3.38Å; G264-L280 WeakPolarHBondContact O-CB 3.39Å; G264-L280 PolarHBondContact O-N 3.16Å; I266-L280 HydrophobicContact CD1-CD1 4.48Å; I266-L280 HydrophobicContact CD1-CD2 4.17Å; I266-L280 HydrophobicContact CG2-CD1 3.86Å; I266-L280 HydrophobicContact CG2-CG 4.41Å; I278-L280 HydrophobicContact CG2-CD2 4.23Å; L280-I284 HydrophobicContact CD2-CD1 4.36Å; L280-I284 HydrophobicContact CD2-CG1 4.34Å; L280-F313 HydrophobicContact CD2-CE1 4.02Å; L280-F313 HydrophobicContact CD2-CZ 4.07Å
281T94.3Very high94.6Very high117 Ų11785 Ų8572%0.71844%0.444SS*.  trans-108.6-2517948.90000112.4Q279Q279-T281 HydrophobicContact CG-CG2 3.89Å
282E93.8Very high94.6Very high149 Ų14985.8 Ų85.870%0.69645%0.448SS*.SBendtrans-104.2160.6-177.7-62.3177.4179.500111I284E282-I284 PolarHBondContact O-N 2.87Å
283I95.8Very high94.9Very high104 Ų10485.4 Ų85.453%0.53345%0.45SS..  trans-68117.6172.4-62.3174.8000109.1A260 L261A260-I283 CarbonylContact O-C 3.57Å; A260-I283 WeakPolarHBondContact O-CA 3.29Å; L261-I283 HydrophobicContact CD2-CG2 4.1Å
284I96.4Very high95.2Very high18 Ų1882.7 Ų82.79%0.09244%0.437CS..  trans-87113177.3-55-59.8000109.2I255 A260 L280 E282 I288 F313 I315I255-I284 HydrophobicContact CD1-CB 4.06Å; I255-I284 HydrophobicContact CD1-CG1 4.27Å; I255-I284 HydrophobicContact CD1-CG2 3.93Å; A260-I284 HydrophobicContact CB-CB 4.25Å; A260-I284 PolarHBondContact O-N 3.17Å; L280-I284 HydrophobicContact CD2-CD1 4.36Å; L280-I284 HydrophobicContact CD2-CG1 4.34Å; E282-I284 PolarHBondContact O-N 2.87Å; I284-I288 HydrophobicContact CG2-CB 4.49Å; I284-F313 HydrophobicContact CD1-CD2 4.49Å; I284-F313 HydrophobicContact CD1-CE2 4.3Å; I284-F313 HydrophobicContact CG2-CB 3.63Å; I284-F313 HydrophobicContact CG2-CD2 3.67Å; I284-F313 HydrophobicContact CG2-CE2 4.47Å; I284-F313 HydrophobicContact CG2-CG 3.69Å; I284-I315 VanDerWaalsContact O-CD1 3.24Å; I284-I315 WeakPolarHBondContact O-CD1 3.43Å
285K95.1Very high95.4Very high139 Ų13984.4 Ų84.460%0.60444%0.436SS*.  trans-86.3153.3173.7-57.4177.9-178.4177.10110.8G287 I288K285-G287 PolarHBondContact O-N 3.2Å; K285-I288 HydrophobicContact CB-CD1 3.74Å; K285-I288 HydrophobicContact CB-CG1 4.02Å; K285-I288 HydrophobicContact CD-CD1 4.49Å; K285-I288 HydrophobicContact CG-CD1 4.1Å; K285-I288 WeakPolarHBondContact O-CB 3.43Å; K285-I288 WeakPolarHBondContact O-CG1 3.3Å; K285-I288 PolarHBondContact O-N 3.41Å; K285-I288 VanDerWaalsContact O-N 3.16Å
286P94.3Very high95.4Very high106 Ų10677.6 Ų77.669%0.68841%0.405SS*.THydrogen-bonded Turntrans-51.9136170.4-2533.3000111.9I288 I315P286-I288 VanDerWaalsContact C-N 3.28Å; P286-I288 PolarHBondContact O-N 3.46Å; P286-I315 HydrophobicContact CG-CD1 4.04Å
287G92.3Very high95.5Very high63 Ų6375.8 Ų75.865%0.64940%0.396SS*.THydrogen-bonded Turntrans82.2-7.4179.900000115.4K285 T289K285-G287 PolarHBondContact O-N 3.2Å; G287-T289 PolarHBondContact O-N 2.83Å
288I93.9Very high95.6Very high68 Ų6870.3 Ų70.335%0.34937%0.367SS..  trans-64.4137.1170-68.7-173.5000109.3I284 K285 P286 F313I284-I288 HydrophobicContact CG2-CB 4.49Å; K285-I288 HydrophobicContact CB-CD1 3.74Å; K285-I288 HydrophobicContact CB-CG1 4.02Å; K285-I288 HydrophobicContact CD-CD1 4.49Å; K285-I288 HydrophobicContact CG-CD1 4.1Å; K285-I288 WeakPolarHBondContact O-CB 3.43Å; K285-I288 WeakPolarHBondContact O-CG1 3.3Å; K285-I288 PolarHBondContact O-N 3.41Å; K285-I288 VanDerWaalsContact O-N 3.16Å; P286-I288 VanDerWaalsContact C-N 3.28Å; P286-I288 PolarHBondContact O-N 3.46Å; I288-F313 HydrophobicContact CG2-CD2 4.46Å; I288-F313 WeakPolarHBondContact O-CD2 3.45Å; I288-F313 PolarHBondContact O-N 3.22Å
289T95.9Very high95.7Very high72 Ų7273 Ų7344%0.44238%0.378SS..EExtended strand (participates in β ladder)trans-118.8151.2171.162.10000110G287 I310 V311 E312G287-T289 PolarHBondContact O-N 2.83Å; T289-I310 HydrophobicContact CG2-CG2 4.36Å; T289-V311 CarbonylContact C-O 3.5Å; T289-V311 WeakPolarHBondContact CA-O 3.44Å; T289-V311 WeakPolarHBondContact CB-O 3.36Å; T289-E312 HydrophobicContact CG2-CB 4.2Å; T289-E312 HydrophobicContact CG2-CG 4.26Å
290R95.5Very high95.5Very high107 Ų10772.2 Ų72.240%0.40438%0.377SS..EExtended strand (participates in β ladder)trans-122.8132.9173.3-179.6172.5-179.6166.3-2.3109.4I278 Q279 V311 F313I278-R290 VanDerWaalsContact CG2-CZ 3.41Å; Q279-R290 PolarHBondContact O-NH1 3.21Å; R290-V311 PolarHBondContact N-O 3.36Å; R290-V311 WeakPolarHBondContact O-CB 3.25Å; R290-V311 PolarHBondContact O-N 3.48Å; R290-F313 HydrophobicContact CB-CE2 3.67Å; R290-F313 HydrophobicContact CB-CZ 3.91Å
291R97.3Very high95.3Very high143 Ų14381.7 Ų81.754%0.5442%0.418SS..EExtended strand (participates in β ladder)trans-94.7126.9177.2-166.2171.2179.114015.3109.6D248 D308 M309D248-R291 IonicContact OD1-NH2 3.58Å; D248-R291 IonicContact OD2-CZ 2.72Å; D248-R291 IonicContact OD2-NH2 3.25Å; D248-R291 PolarHBondContact OD2-NH2 3.02Å; R291-D308 HydrophobicContact CG-CB 3.77Å; R291-D308 IonicContact CZ-OD2 2.57Å; R291-D308 IonicContact NE-OD2 3.9Å; R291-D308 PolarHBondContact NE-OD2 2.75Å; R291-D308 IonicContact NH2-OD2 3.84Å; R291-D308 PolarHBondContact NH2-OD2 2.73Å; R291-M309 CarbonylContact C-O 3.56Å; R291-M309 WeakPolarHBondContact CA-O 3.27Å
292I96.5Very high95.2Very high20 Ų2081 Ų8110%0.10341%0.406CS..EExtended strand (participates in β ladder)trans-103.7112.2169.9-44.3169.5000107.3I268 I276 I278 Q295 D308 M309 V311I268-I292 HydrophobicContact CD1-CD1 4.37Å; I276-I292 HydrophobicContact CD1-CD1 4.5Å; I276-I292 HydrophobicContact CD1-CG2 4.39Å; I278-I292 HydrophobicContact CD1-CD1 3.54Å; I278-I292 HydrophobicContact CD1-CG1 3.76Å; I292-Q295 HydrophobicContact CB-CB 4.4Å; I292-Q295 HydrophobicContact CB-CG 4.24Å; I292-Q295 HydrophobicContact CG2-CB 4.32Å; I292-Q295 HydrophobicContact CG2-CG 3.63Å; I292-D308 WeakPolarHBondContact O-CA 3.47Å; I292-D308 WeakPolarHBondContact O-CB 3.46Å; I292-M309 HydrophobicContact CB-CB 4.25Å; I292-M309 HydrophobicContact CD1-CB 4.35Å; I292-M309 HydrophobicContact CD1-CG 4.34Å; I292-M309 HydrophobicContact CD1-SD 3.85Å; I292-M309 PolarHBondContact N-O 3.3Å; I292-M309 PolarHBondContact O-N 2.84Å; I292-V311 HydrophobicContact CD1-CG2 3.64Å; I292-V311 HydrophobicContact CG1-CG2 3.91Å
293P96.8Very high95.1Very high76 Ų7677 Ų7749%0.49439%0.393SS..THydrogen-bonded Turntrans-66.4146.5-176.227.5-34.1000111.8Q295 D308P293-Q295 PolarHBondContact O-N 3.03Å; P293-D308 WeakPolarHBondContact CA-OD1 3.43Å
294H96.1Very high95Very high118 Ų11877.7 Ų77.755%0.54641%0.407SS..THydrogen-bonded Turntrans62.623173.8-47-53.1000115.6L306 G307 D308H294-L306 HydrophobicContact CB-CB 4.35Å; H294-L306 WeakPolarHBondContact O-CD1 3.25Å; H294-G307 CarbonylContact C-O 3.5Å; H294-G307 VanDerWaalsContact CA-O 3.25Å; H294-G307 WeakPolarHBondContact CA-O 3.23Å; H294-G307 PolarHBondContact N-O 3.26Å; H294-D308 PolarHBondContact N-OD1 2.86Å
295Q96.6Very high95Very high67 Ų6783.5 Ų83.531%0.31343%0.428SS..  trans-112.215.6178.3-63.5-62.3-28.400113.2I276 I292 P293 G307 M309I276-Q295 HydrophobicContact CD1-CB 4.41Å; I276-Q295 HydrophobicContact CD1-CG 3.52Å; I292-Q295 HydrophobicContact CB-CB 4.4Å; I292-Q295 HydrophobicContact CB-CG 4.24Å; I292-Q295 HydrophobicContact CG2-CB 4.32Å; I292-Q295 HydrophobicContact CG2-CG 3.63Å; P293-Q295 PolarHBondContact O-N 3.03Å; Q295-G307 PolarHBondContact N-O 3.14Å; Q295-M309 HydrophobicContact CB-CB 3.69Å; Q295-M309 HydrophobicContact CB-CE 4.25Å
296G97.1Very high95.1Very high2 Ų279.3 Ų79.32%0.02141%0.412CS..SBendtrans-98.2-148.317300000113.1G307G296-G307 WeakPolarHBondContact CA-O 3.16Å; G296-G307 PolarHBondContact N-O 2.71Å
297L97.5Very high95.3Very high0 Ų074.3 Ų74.30%038%0.38CS..PPolyproline II helixtrans-103.8159.1-178.3-63.9169.5000111.7L166 V169 L170 R244 S247 V249 I271 G307L166-L297 HydrophobicContact CB-CD2 4.42Å; L166-L297 HydrophobicContact CD2-CD1 4.19Å; L166-L297 WeakPolarHBondContact O-CD2 3.48Å; V169-L297 HydrophobicContact CB-CD2 4.26Å; V169-L297 HydrophobicContact CG1-CD1 4.09Å; V169-L297 HydrophobicContact CG1-CD2 4.19Å; L170-L297 HydrophobicContact CB-CD2 4.04Å; R244-L297 HydrophobicContact CG-CD1 3.72Å; R244-L297 VanDerWaalsContact NE-CD1 3.3Å; S247-L297 PolarHBondContact O-N 2.93Å; V249-L297 HydrophobicContact CG1-CD1 4.2Å; V249-L297 HydrophobicContact CG1-CG 4.04Å; I271-L297 HydrophobicContact CD1-CD2 3.74Å; I271-L297 HydrophobicContact CD1-CG 4.19Å; L297-G307 PolarHBondContact O-N 3.15Å
298P97.8Very high95.5Very high2 Ų272.3 Ų72.31%0.01335%0.354CS..EExtended strand (participates in β ladder)trans-64.1148178.1-20.232.5000113.2L170 K204 G205 P303 R305 L306L170-P298 HydrophobicContact CD1-CG 3.93Å; L170-P298 WeakPolarHBondContact O-CG 3.37Å; K204-P298 HydrophobicContact CB-CB 4.31Å; K204-P298 HydrophobicContact CB-CG 4.23Å; G205-P298 WeakPolarHBondContact CA-O 3.26Å; P298-P303 HydrophobicContact CB-CB 4.5Å; P298-R305 WeakPolarHBondContact CA-O 3.3Å; P298-L306 HydrophobicContact CB-CD2 4.1Å; P298-L306 HydrophobicContact CG-CD2 3.72Å
299F95.7Very high95.7Very high64 Ų6469.1 Ų69.128%0.28134%0.338SS..EExtended strand (participates in β ladder)trans-76.6134166.9-71.1-90.6000110.5S247 K301 E302 P303 R305S247-F299 WeakPolarHBondContact OG-CD1 3.47Å; S247-F299 WeakPolarHBondContact OG-CE1 3.11Å; F299-K301 VanDerWaalsContact C-N 3.3Å; F299-K301 PolarHBondContact O-N 2.89Å; F299-E302 HydrophobicContact CB-CB 4.38Å; F299-E302 CarbonylContact O-C 3.54Å; F299-E302 PolarHBondContact O-N 3.4Å; F299-P303 WeakPolarHBondContact O-CA 3.38Å; F299-P303 VanDerWaalsContact O-N 3.17Å; F299-R305 HydrophobicContact CD2-CB 3.92Å; F299-R305 HydrophobicContact CD2-CG 3.66Å; F299-R305 WeakPolarHBondContact CD2-O 3.24Å; F299-R305 HydrophobicContact CE2-CG 3.85Å; F299-R305 PolarHBondContact N-O 2.8Å
300L90.8Very high95.8Very high79 Ų7966.9 Ų66.941%0.41432%0.323SS..THydrogen-bonded Turntrans-55.9-40.2-176.3-178.260.9000114
301K91.5Very high95.9Very high201 Ų20161.8 Ų61.887%0.87430%0.304SS*.THydrogen-bonded Turntrans-83.1-22.4179.8-66.7-175.6178.8-179.60113F299F299-K301 VanDerWaalsContact C-N 3.3Å; F299-K301 PolarHBondContact O-N 2.89Å
302E93.4Very high95.9Very high103 Ų10358.3 Ų58.348%0.48129%0.294SS..EExtended strand (participates in β ladder)trans-136.575.2-175.5-71.2169.4-14900109.1F299 S304 R305F299-E302 HydrophobicContact CB-CB 4.38Å; F299-E302 CarbonylContact O-C 3.54Å; F299-E302 PolarHBondContact O-N 3.4Å; E302-S304 PolarHBondContact O-N 2.97Å; E302-R305 HydrophobicContact CB-CB 4.24Å; E302-R305 PolarHBondContact O-N 2.89Å
303P91.7Very high96Very high64 Ų6457.7 Ų57.742%0.41629%0.29SS..EExtended strand (participates in β ladder)trans-65-14.1-172.8-2435.4000114.8K204 P298 F299 R305K204-P303 HydrophobicContact CB-CB 4.2Å; K204-P303 HydrophobicContact CD-CB 4.48Å; P298-P303 HydrophobicContact CB-CB 4.5Å; F299-P303 WeakPolarHBondContact O-CA 3.38Å; F299-P303 VanDerWaalsContact O-N 3.17Å; P303-R305 VanDerWaalsContact C-N 3.34Å
304S93.3Very high96Very high119 Ų11958.6 Ų58.683%0.83229%0.288SS*.EExtended strand (participates in β ladder)trans-76-22.9173.1530000112.9E302E302-S304 PolarHBondContact O-N 2.97Å
305R96.5Very high96Very high140 Ų14054.3 Ų54.353%0.52827%0.269SS..EExtended strand (participates in β ladder)trans-89.9127.4176-172.2-177.7174.3-177-1.1108.6P298 F299 E302 P303P298-R305 WeakPolarHBondContact CA-O 3.3Å; F299-R305 HydrophobicContact CD2-CB 3.92Å; F299-R305 HydrophobicContact CD2-CG 3.66Å; F299-R305 WeakPolarHBondContact CD2-O 3.24Å; F299-R305 HydrophobicContact CE2-CG 3.85Å; F299-R305 PolarHBondContact N-O 2.8Å; E302-R305 HydrophobicContact CB-CB 4.24Å; E302-R305 PolarHBondContact O-N 2.89Å; P303-R305 VanDerWaalsContact C-N 3.34Å
306L97.2Very high96Very high51 Ų5154.7 Ų54.727%0.26728%0.276SS..EExtended strand (participates in β ladder)trans-100.3144173.2-60.5180000110L170 H294 P298L170-L306 HydrophobicContact CD1-CD2 4.01Å; H294-L306 HydrophobicContact CB-CB 4.35Å; H294-L306 WeakPolarHBondContact O-CD1 3.25Å; P298-L306 HydrophobicContact CB-CD2 4.1Å; P298-L306 HydrophobicContact CG-CD2 3.72Å
307G97.4Very high96Very high1 Ų160.6 Ų60.61%0.0130%0.301CS..  trans-69.5-169.3161.600000111.3D248 H294 Q295 G296 L297D248-G307 VanDerWaalsContact OD1-CA 3.29Å; D248-G307 WeakPolarHBondContact OD1-CA 3.05Å; H294-G307 CarbonylContact C-O 3.5Å; H294-G307 VanDerWaalsContact CA-O 3.25Å; H294-G307 WeakPolarHBondContact CA-O 3.23Å; H294-G307 PolarHBondContact N-O 3.26Å; Q295-G307 PolarHBondContact N-O 3.14Å; G296-G307 WeakPolarHBondContact CA-O 3.16Å; G296-G307 PolarHBondContact N-O 2.71Å; L297-G307 PolarHBondContact O-N 3.15Å
308D97.9Very high95.9Very high22 Ų2263.7 Ų63.712%0.11832%0.321CS..  trans-119.3158.5-168.6-57.4-30.4000111.9D248 V249 R291 I292 P293 H294D248-D308 CarbonylContact C-O 3.54Å; D248-D308 WeakPolarHBondContact CA-O 3.28Å; D248-D308 VanDerWaalsContact CB-O 3.29Å; D248-D308 WeakPolarHBondContact CB-O 3.18Å; D248-D308 PolarHBondContact OD1-N 3.31Å; V249-D308 PolarHBondContact N-O 2.72Å; R291-D308 HydrophobicContact CG-CB 3.77Å; R291-D308 IonicContact CZ-OD2 2.57Å; R291-D308 IonicContact NE-OD2 3.9Å; R291-D308 PolarHBondContact NE-OD2 2.75Å; R291-D308 IonicContact NH2-OD2 3.84Å; R291-D308 PolarHBondContact NH2-OD2 2.73Å; I292-D308 WeakPolarHBondContact O-CA 3.47Å; I292-D308 WeakPolarHBondContact O-CB 3.46Å; P293-D308 WeakPolarHBondContact CA-OD1 3.43Å; H294-D308 PolarHBondContact N-OD1 2.86Å
309M98.1Very high95.9Very high0 Ų072.1 Ų72.10%037%0.366CS..EExtended strand (participates in β ladder)trans-93123.1170-178.5-179.5-61.600109.5F242 V249 I268 R291 I292 Q295 V311F242-M309 HydrophobicContact CD1-CE 4.29Å; F242-M309 HydrophobicContact CE1-CE 3.48Å; F242-M309 VanDerWaalsContact CE1-CE 3.48Å; F242-M309 HydrophobicContact CE1-SD 4Å; F242-M309 HydrophobicContact CZ-CE 3.87Å; V249-M309 HydrophobicContact CG2-CB 4.04Å; V249-M309 HydrophobicContact CG2-CE 4.31Å; V249-M309 HydrophobicContact CG2-CG 4.07Å; V249-M309 CarbonylContact O-C 3.55Å; V249-M309 WeakPolarHBondContact O-CA 3.48Å; I268-M309 HydrophobicContact CG2-SD 3.63Å; R291-M309 CarbonylContact C-O 3.56Å; R291-M309 WeakPolarHBondContact CA-O 3.27Å; I292-M309 HydrophobicContact CB-CB 4.25Å; I292-M309 HydrophobicContact CD1-CB 4.35Å; I292-M309 HydrophobicContact CD1-CG 4.34Å; I292-M309 HydrophobicContact CD1-SD 3.85Å; I292-M309 PolarHBondContact N-O 3.3Å; I292-M309 PolarHBondContact O-N 2.84Å; Q295-M309 HydrophobicContact CB-CB 3.69Å; Q295-M309 HydrophobicContact CB-CE 4.25Å; M309-V311 HydrophobicContact CG-CG2 4.17Å; M309-V311 HydrophobicContact SD-CG2 4.25Å
310I98Very high96Very high25 Ų2577.6 Ų77.613%0.12839%0.386CS..EExtended strand (participates in β ladder)trans-96.1107.7173.7-55.5171.4000107.6D248 V249 R250 Y251 T289D248-I310 HydrophobicContact CB-CD1 4.26Å; V249-I310 PolarHBondContact O-N 3.29Å; R250-I310 CarbonylContact C-O 3.51Å; R250-I310 VanDerWaalsContact CA-O 3.31Å; R250-I310 WeakPolarHBondContact CA-O 3.5Å; Y251-I310 PolarHBondContact N-O 3Å; T289-I310 HydrophobicContact CG2-CG2 4.36Å
311V97.6Very high96.2Very high0 Ų076.1 Ų76.10%038%0.378CS..EExtended strand (participates in β ladder)trans-90.2115.5177.5-176.90000108.8Y251 A253 I268 T289 R290 I292 M309 F313Y251-V311 HydrophobicContact CD1-CG1 4.34Å; Y251-V311 WeakPolarHBondContact O-CA 3.24Å; A253-V311 HydrophobicContact CB-CG1 3.62Å; I268-V311 HydrophobicContact CD1-CG1 3.95Å; I268-V311 HydrophobicContact CD1-CG2 3.87Å; T289-V311 CarbonylContact C-O 3.5Å; T289-V311 WeakPolarHBondContact CA-O 3.44Å; T289-V311 WeakPolarHBondContact CB-O 3.36Å; R290-V311 PolarHBondContact N-O 3.36Å; R290-V311 WeakPolarHBondContact O-CB 3.25Å; R290-V311 PolarHBondContact O-N 3.48Å; I292-V311 HydrophobicContact CD1-CG2 3.64Å; I292-V311 HydrophobicContact CG1-CG2 3.91Å; M309-V311 HydrophobicContact CG-CG2 4.17Å; M309-V311 HydrophobicContact SD-CG2 4.25Å; V311-F313 HydrophobicContact CG1-CD1 4.24Å; V311-F313 HydrophobicContact CG1-CE1 3.74Å; V311-F313 HydrophobicContact CG1-CE2 4.47Å; V311-F313 HydrophobicContact CG1-CZ 3.88Å
312E97.1Very high96.5Very high70 Ų7068.2 Ų68.233%0.32735%0.348SS..EExtended strand (participates in β ladder)trans-98.6126.5172.4-175.1176.2150.500109.4R250 Y251 V252 A253 T289R250-E312 IonicContact CZ-OE2 2.83Å; R250-E312 IonicContact NH1-OE2 3.93Å; R250-E312 PolarHBondContact NH1-OE2 3.4Å; Y251-E312 PolarHBondContact O-N 3.5Å; V252-E312 CarbonylContact C-O 3.05Å; V252-E312 WeakPolarHBondContact CA-O 3.48Å; A253-E312 PolarHBondContact N-O 3.49Å; T289-E312 HydrophobicContact CG2-CB 4.2Å; T289-E312 HydrophobicContact CG2-CG 4.26Å
313F97Very high96.6Very high7 Ų767.9 Ų67.93%0.03136%0.357CS..EExtended strand (participates in β ladder)trans-91117.7-177.7-61.6-73.5000111.2A253 I255 I266 L280 I284 I288 R290 V311A253-F313 HydrophobicContact CB-CD1 3.99Å; A253-F313 HydrophobicContact CB-CE1 4.25Å; A253-F313 WeakPolarHBondContact O-CA 3.38Å; I255-F313 HydrophobicContact CD1-CB 4.06Å; I255-F313 HydrophobicContact CD1-CD1 3.95Å; I255-F313 HydrophobicContact CD1-CG 4.23Å; I255-F313 HydrophobicContact CG1-CB 4.49Å; I255-F313 HydrophobicContact CG2-CD1 4.14Å; I266-F313 HydrophobicContact CD1-CD1 4.43Å; I266-F313 HydrophobicContact CD1-CE1 3.64Å; L280-F313 HydrophobicContact CD2-CE1 4.02Å; L280-F313 HydrophobicContact CD2-CZ 4.07Å; I284-F313 HydrophobicContact CD1-CD2 4.49Å; I284-F313 HydrophobicContact CD1-CE2 4.3Å; I284-F313 HydrophobicContact CG2-CB 3.63Å; I284-F313 HydrophobicContact CG2-CD2 3.67Å; I284-F313 HydrophobicContact CG2-CE2 4.47Å; I284-F313 HydrophobicContact CG2-CG 3.69Å; I288-F313 HydrophobicContact CG2-CD2 4.46Å; I288-F313 WeakPolarHBondContact O-CD2 3.45Å; I288-F313 PolarHBondContact O-N 3.22Å; R290-F313 HydrophobicContact CB-CE2 3.67Å; R290-F313 HydrophobicContact CB-CZ 3.91Å; V311-F313 HydrophobicContact CG1-CD1 4.24Å; V311-F313 HydrophobicContact CG1-CE1 3.74Å; V311-F313 HydrophobicContact CG1-CE2 4.47Å; V311-F313 HydrophobicContact CG1-CZ 3.88Å
314Q96.9Very high96.9Very high96 Ų9668.5 Ų68.545%0.44936%0.363SS..EExtended strand (participates in β ladder)trans-98.6108.9169.5-173.9178.91600109V252 A253 K254 I255 V316V252-Q314 HydrophobicContact CG1-CB 3.84Å; A253-Q314 PolarHBondContact O-N 3.46Å; K254-Q314 WeakPolarHBondContact CA-O 3.28Å; K254-Q314 HydrophobicContact CG-CB 4.37Å; I255-Q314 PolarHBondContact N-O 3.18Å; Q314-V316 PolarHBondContact O-N 3.25Å
315I97.4Very high97.1Very high28 Ų2866.9 Ų66.914%0.14434%0.343CS..EExtended strand (participates in β ladder)trans-79.7121.6-179.8-53.6174.3000109.4I255 L257 A260 I284 P286 F317I255-I315 HydrophobicContact CD1-CG1 4.43Å; I255-I315 HydrophobicContact CG1-CG1 4.28Å; I255-I315 CarbonylContact O-C 3.58Å; I255-I315 WeakPolarHBondContact O-CA 3.47Å; L257-I315 HydrophobicContact CB-CG2 4.28Å; L257-I315 HydrophobicContact CD1-CG2 4.07Å; A260-I315 HydrophobicContact CB-CD1 3.9Å; A260-I315 HydrophobicContact CB-CG1 4.07Å; A260-I315 HydrophobicContact CB-CG2 4.1Å; I284-I315 VanDerWaalsContact O-CD1 3.24Å; I284-I315 WeakPolarHBondContact O-CD1 3.43Å; P286-I315 HydrophobicContact CG-CD1 4.04Å; I315-F317 HydrophobicContact CB-CE2 4.5Å; I315-F317 HydrophobicContact CG2-CD2 4.29Å; I315-F317 HydrophobicContact CG2-CE2 4.02Å
316V97.2Very high97.1Very high75 Ų7566.1 Ų66.146%0.45534%0.343SS..EExtended strand (participates in β ladder)trans-96.5115.2176.3-176.10000108.6K254 I255 L257 Q314K254-V316 HydrophobicContact CB-CG2 4.19Å; I255-V316 PolarHBondContact O-N 3.32Å; L257-V316 PolarHBondContact N-O 3.48Å; Q314-V316 PolarHBondContact O-N 3.25Å
317F96.7Very high97Very high125 Ų12567.7 Ų67.755%0.54836%0.358SS..  trans-79.1148.4174.4-79.1-107.2000110.4L257 I315L257-F317 HydrophobicContact CD1-CE1 3.94Å; L257-F317 HydrophobicContact CD1-CE2 4.42Å; L257-F317 HydrophobicContact CD1-CZ 3.89Å; L257-F317 HydrophobicContact CD2-CD1 3.79Å; L257-F317 HydrophobicContact CD2-CE1 3.76Å; L257-F317 HydrophobicContact CG-CE1 4.42Å; I315-F317 HydrophobicContact CB-CE2 4.5Å; I315-F317 HydrophobicContact CG2-CD2 4.29Å; I315-F317 HydrophobicContact CG2-CE2 4.02Å
318P95.9Very high97Very high66 Ų6673 Ų7343%0.42938%0.383SS..  trans-69.1136.5172.329.2-33.2000110.7Y320 L321P318-Y320 VanDerWaalsContact C-N 3.27Å; P318-Y320 PolarHBondContact O-N 2.93Å; P318-L321 HydrophobicContact CB-CD2 4.3Å; P318-L321 HydrophobicContact CG-CD1 4.2Å; P318-L321 HydrophobicContact CG-CD2 3.96Å; P318-L321 HydrophobicContact CG-CG 4.03Å
319D96.8Very high96.8Very high178 Ų17875.2 Ų75.295%0.95239%0.394SS*.SBendtrans-70.3-24.9178.3-61.8-42.9000112.9
320Y97Very high96.6Very high180 Ų18079 Ų7971%0.70643%0.426SS*.  trans-143.4142.8-179.3177.7-94.5000111.7P318P318-Y320 VanDerWaalsContact C-N 3.27Å; P318-Y320 PolarHBondContact O-N 2.93Å
321L95.3Very high96.6Very high48 Ų4882.4 Ų82.425%0.25145%0.452SS..  trans-135.4132.9169.1-67.1171.8000108.6P318 Q325 K326 L329P318-L321 HydrophobicContact CB-CD2 4.3Å; P318-L321 HydrophobicContact CG-CD1 4.2Å; P318-L321 HydrophobicContact CG-CD2 3.96Å; P318-L321 HydrophobicContact CG-CG 4.03Å; L321-Q325 HydrophobicContact CB-CB 4.39Å; L321-Q325 HydrophobicContact CD2-CB 4.4Å; L321-K326 HydrophobicContact CB-CG 3.91Å; L321-K326 VanDerWaalsContact O-CE 3.3Å; L321-K326 WeakPolarHBondContact O-CE 3.41Å; L321-L329 HydrophobicContact CD1-CD1 3.66Å
322S97.5Very high96.4Very high35 Ų3588.7 Ų88.725%0.24548%0.484CS..  trans-63.6158.317464.90000111.6S324 Q325 K326S322-S324 PolarHBondContact O-N 3.36Å; S322-Q325 PolarHBondContact O-N 3.05Å; S322-Q325 VanDerWaalsContact O-N 3.12Å; S322-Q325 WeakPolarHBondContact OG-CB 3.34Å; S322-Q325 VanDerWaalsContact OG-CD 3.29Å; S322-Q325 VanDerWaalsContact OG-CG 3.25Å; S322-Q325 WeakPolarHBondContact OG-CG 3.34Å; S322-Q325 PolarHBondContact OG-N 3.23Å; S322-Q325 PolarHBondContact OG-OE1 2.99Å; S322-K326 PolarHBondContact O-N 3.42Å
323S97.3Very high96.2Very high96 Ų9689.4 Ų89.467%0.67149%0.489SS*.Hα-helixtrans-56.1-39.8177.4-540000112.2K326 S327S323-K326 PolarHBondContact O-N 3.34Å; S323-S327 PolarHBondContact O-N 3.09Å; S323-S327 PolarHBondContact O-OG 3.07Å
324S97.5Very high95.9Very high77 Ų7794.8 Ų94.854%0.53853%0.525SS..Hα-helixtrans-61.8-46.7175.7179.60000112.1S322 K326 S327 Q328S322-S324 PolarHBondContact O-N 3.36Å; S324-K326 VanDerWaalsContact C-N 3.35Å; S324-K326 PolarHBondContact O-N 3.19Å; S324-S327 PolarHBondContact O-N 2.97Å; S324-Q328 WeakPolarHBondContact O-CG 3.39Å; S324-Q328 PolarHBondContact O-N 2.96Å
325Q96.4Very high95.2Very high85 Ų85101.7 Ų101.740%0.39757%0.565SS.*Hα-helixtrans-62.5-40.5176.8-73.7165.2-4100112L321 S322 Q328 L329L321-Q325 HydrophobicContact CB-CB 4.39Å; L321-Q325 HydrophobicContact CD2-CB 4.4Å; S322-Q325 PolarHBondContact O-N 3.05Å; S322-Q325 VanDerWaalsContact O-N 3.12Å; S322-Q325 WeakPolarHBondContact OG-CB 3.34Å; S322-Q325 VanDerWaalsContact OG-CD 3.29Å; S322-Q325 VanDerWaalsContact OG-CG 3.25Å; S322-Q325 WeakPolarHBondContact OG-CG 3.34Å; S322-Q325 PolarHBondContact OG-N 3.23Å; S322-Q325 PolarHBondContact OG-OE1 2.99Å; Q325-Q328 PolarHBondContact O-N 3.47Å; Q325-L329 WeakPolarHBondContact O-CG 3.49Å; Q325-L329 PolarHBondContact O-N 3.44Å
326K96.2Very high95.1Very high123 Ų123105.4 Ų105.454%0.53559%0.586SS.*Hα-helixtrans-62.5-44.7176.2-70.7179.7-179.8177.80111.7L321 S322 S323 S324 Q328 L329 A330L321-K326 HydrophobicContact CB-CG 3.91Å; L321-K326 VanDerWaalsContact O-CE 3.3Å; L321-K326 WeakPolarHBondContact O-CE 3.41Å; S322-K326 PolarHBondContact O-N 3.42Å; S323-K326 PolarHBondContact O-N 3.34Å; S324-K326 VanDerWaalsContact C-N 3.35Å; S324-K326 PolarHBondContact O-N 3.19Å; K326-Q328 VanDerWaalsContact C-N 3.34Å; K326-Q328 PolarHBondContact O-N 2.82Å; K326-L329 PolarHBondContact O-N 3.13Å; K326-A330 WeakPolarHBondContact O-CB 3.42Å; K326-A330 PolarHBondContact O-N 3.35Å
327S96.7Very high95Very high84 Ų84106.9 Ų106.959%0.58759%0.593SS**Hα-helixtrans-60.8-42175.8-63.40000112.2S323 S324 S331S323-S327 PolarHBondContact O-N 3.09Å; S323-S327 PolarHBondContact O-OG 3.07Å; S324-S327 PolarHBondContact O-N 2.97Å; S327-S331 PolarHBondContact O-N 2.69Å
328Q96.2Very high94.9Very high114 Ų114105.9 Ų105.953%0.53360%0.595SS.*Hα-helixtrans-62.7-47.1175.5-71.5176.1-36.300111.8S324 Q325 K326 A330 S331 I332S324-Q328 WeakPolarHBondContact O-CG 3.39Å; S324-Q328 PolarHBondContact O-N 2.96Å; Q325-Q328 PolarHBondContact O-N 3.47Å; K326-Q328 VanDerWaalsContact C-N 3.34Å; K326-Q328 PolarHBondContact O-N 2.82Å; Q328-A330 PolarHBondContact O-N 3.4Å; Q328-S331 PolarHBondContact O-N 3.24Å; Q328-S331 PolarHBondContact O-OG 2.81Å; Q328-I332 WeakPolarHBondContact O-CG1 3.12Å; Q328-I332 PolarHBondContact O-N 3.12Å
329L94.7Very high94.8Very high68 Ų68108.3 Ų108.336%0.35661%0.605SS.*Hα-helixtrans-64.3-41178.7-69.3170.3000112.3L321 Q325 K326 S331 I332 L333L321-L329 HydrophobicContact CD1-CD1 3.66Å; Q325-L329 WeakPolarHBondContact O-CG 3.49Å; Q325-L329 PolarHBondContact O-N 3.44Å; K326-L329 PolarHBondContact O-N 3.13Å; L329-S331 PolarHBondContact O-N 2.62Å; L329-I332 PolarHBondContact O-N 2.9Å; L329-I332 VanDerWaalsContact O-N 3.1Å; L329-L333 HydrophobicContact CB-CD1 4.23Å; L329-L333 HydrophobicContact CD2-CD1 4.32Å; L329-L333 WeakPolarHBondContact O-CB 3.49Å; L329-L333 WeakPolarHBondContact O-CG 3.38Å; L329-L333 PolarHBondContact O-N 2.94Å
330A94.1Very high94.7Very high80 Ų80103.9 Ų103.966%0.66158%0.584SS**Hα-helixtrans-61.7-27.6176.800000113K326 Q328K326-A330 WeakPolarHBondContact O-CB 3.42Å; K326-A330 PolarHBondContact O-N 3.35Å; Q328-A330 PolarHBondContact O-N 3.4Å
331S96.1Very high94.5Very high96 Ų9698.9 Ų98.967%0.67158%0.575SS**Hα-helixtrans-79.4-18176.571.60000114.3S327 Q328 L329S327-S331 PolarHBondContact O-N 2.69Å; Q328-S331 PolarHBondContact O-N 3.24Å; Q328-S331 PolarHBondContact O-OG 2.81Å; L329-S331 PolarHBondContact O-N 2.62Å
332I94.7Very high94.5Very high131 Ų131102.5 Ų102.567%0.67260%0.599SS**Hα-helixtrans-111.2-36.7-171.6-60.5166.2000112Q328 L329Q328-I332 WeakPolarHBondContact O-CG1 3.12Å; Q328-I332 PolarHBondContact O-N 3.12Å; L329-I332 PolarHBondContact O-N 2.9Å; L329-I332 VanDerWaalsContact O-N 3.1Å
333L92.7Very high94.3Very high85 Ų85107.7 Ų107.745%0.44563%0.626SS.*SBendtrans-82.9137.4-174.8-64.1178.2000111.6L261 L329L261-L333 HydrophobicContact CD1-CD2 4.34Å; L329-L333 HydrophobicContact CB-CD1 4.23Å; L329-L333 HydrophobicContact CD2-CD1 4.32Å; L329-L333 WeakPolarHBondContact O-CB 3.49Å; L329-L333 WeakPolarHBondContact O-CG 3.38Å; L329-L333 PolarHBondContact O-N 2.94Å
334P90.6Very high94Very high121 Ų121108.7 Ų108.779%0.78662%0.622SS**  trans-70.8158.4173.631.3-35000111.6
335N82Confident93.7Very high240 Ų240111.5 Ų111.5100%1.28363%0.63SS**  trans-720172.3-77-28.2000112.9

Retrieved 335 of 335 residues in 142.1 ms (Link to these results)

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