A0A3Q0KQF4_SCHMA Loading...

Putative glycosyltransferase 14 family member

AlphaFold DB , UniProt , Accession A0A3Q0KQF4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 358 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
1M39.3Very low42.7Very low242 Ų242121.2 Ų121.2100%1.19263%0.63SS**  0-18.10-96.2175.7-165.300114.9V3M1-V3 PolarHBondContact O-N 2.86Å
2L43.9Very low43.4Very low77 Ų77115.9 Ų115.940%0.40363%0.627SS.*THydrogen-bonded Turntrans-73.7-16.2-173.6-96.1136.3000117.5I6L2-I6 VanDerWaalsContact O-CD1 3.26Å; L2-I6 WeakPolarHBondContact O-CD1 3.29Å
3V48.1Very low44.7Very low97 Ų97109 Ų10959%0.58860%0.6SS**THydrogen-bonded Turntrans-93.2-15.4-166.3-174.80000113.9M1 N5 I316M1-V3 PolarHBondContact O-N 2.86Å; V3-N5 PolarHBondContact O-N 3.18Å; V3-I316 HydrophobicContact CG1-CD1 4.47Å
4R39.9Very low46.5Very low238 Ų238106.1 Ų106.190%0.89858%0.576SS**THydrogen-bonded Turntrans-76.9-7-161.4-81.4-169178-171.6-0.3117.3
5N40.7Very low47.9Very low150 Ų150104.1 Ų104.180%0.80257%0.573SS**THydrogen-bonded Turntrans-140.119.4179.8-90.1-16.4000114.8V3 Q7V3-N5 PolarHBondContact O-N 3.18Å; N5-Q7 PolarHBondContact O-N 2.83Å; N5-Q7 VanDerWaalsContact O-N 3.11Å
6I47Very low49.7Very low44 Ų44103.9 Ų103.923%0.22657%0.571CS.*  trans-90.958.3176.8-50.1171.4000108.4L2 S8 D319 C320 N323L2-I6 VanDerWaalsContact O-CD1 3.26Å; L2-I6 WeakPolarHBondContact O-CD1 3.29Å; I6-S8 PolarHBondContact O-N 2.77Å; I6-D319 HydrophobicContact CG2-CB 3.92Å; I6-C320 HydrophobicContact CD1-CB 4.17Å; I6-C320 WeakPolarHBondContact CD1-SG 3.36Å; I6-N323 HydrophobicContact CD1-CB 4.43Å
7Q34.2Very low51.9Low184 Ų18498.4 Ų98.486%0.8654%0.541SS*.  trans-88.894.1162.3-105.7-179-23.400107.5N5 S9N5-Q7 PolarHBondContact O-N 2.83Å; N5-Q7 VanDerWaalsContact O-N 3.11Å; Q7-S9 PolarHBondContact O-N 3.3Å
8S41.3Very low53.9Low75 Ų7597.5 Ų97.552%0.52454%0.539SS..  trans42.452.1138179.40000117.3I6I6-S8 PolarHBondContact O-N 2.77Å
9S41.7Very low55.9Low120 Ų12096.2 Ų96.284%0.83953%0.531SS*.SBendtrans-81.4-9156.261.50000112.1Q7Q7-S9 PolarHBondContact O-N 3.3Å
10S46.9Very low57.6Low19 Ų1995.5 Ų95.513%0.13353%0.533CS..SBendtrans-90.3-6.9-17258.70000115.6
11N46.7Very low59.3Low87 Ų8797 Ų9747%0.46554%0.536SS..SBendtrans-86.7-14-175.1-88-17.1000114.8Y14 K56N11-Y14 WeakPolarHBondContact O-CE1 3.16Å; N11-K56 WeakPolarHBondContact OD1-CE 3.49Å; N11-K56 PolarHBondContact OD1-NZ 3.47Å
12G50.9Low61.8Low58 Ų5887.4 Ų87.460%0.59849%0.491SS*.SBendtrans-105.8-13.5-171.800000117
13G60.2Low64.2Low26 Ų2684 Ų8427%0.26847%0.473SS..SBendtrans-96.4-5.8-161.400000117.4L17 F26G13-L17 WeakPolarHBondContact O-CD2 3.18Å; G13-F26 WeakPolarHBondContact O-CD2 3.36Å
14Y70Confident66.4Low68 Ų6883.2 Ų83.227%0.26747%0.466SS..SBendtrans-99.8-12.3-174.158.7-91.4000113.9N11 K56N11-Y14 WeakPolarHBondContact O-CE1 3.16Å; Y14-K56 HydrophobicContact CD1-CB 4.37Å; Y14-K56 HydrophobicContact CD1-CD 4.38Å; Y14-K56 HydrophobicContact CD1-CG 3.83Å; Y14-K56 HydrophobicContact CD2-CB 4.25Å; Y14-K56 HydrophobicContact CE1-CB 4.21Å; Y14-K56 HydrophobicContact CE1-CD 3.65Å; Y14-K56 HydrophobicContact CE1-CG 3.6Å; Y14-K56 HydrophobicContact CE2-CB 4.08Å; Y14-K56 HydrophobicContact CE2-CG 4.38Å; Y14-K56 HydrophobicContact CG-CB 4.38Å; Y14-K56 HydrophobicContact CG-CG 4.31Å
15S67.8Low69Low76 Ų7676.9 Ų76.953%0.53145%0.446SS..THydrogen-bonded Turntrans-77.6135.1171.346.80000110
16N77.1Confident71.6Confident101 Ų10170.2 Ų70.254%0.5441%0.41SS..THydrogen-bonded Turntrans66.243.1175.1-158.733.5000114.9T18 N19N16-T18 PolarHBondContact O-N 3.45Å; N16-T18 VanDerWaalsContact O-N 3.08Å; N16-T18 PolarHBondContact OD1-OG1 3.5Å; N16-N19 PolarHBondContact O-N 2.83Å; N16-N19 VanDerWaalsContact O-N 3.11Å
17L86.2Confident73.9Confident11 Ų1170.9 Ų70.96%0.05841%0.411CS..THydrogen-bonded Turntrans-65.9-3.7175-67.9176000114G13 T22 F26 L91 C94G13-L17 WeakPolarHBondContact O-CD2 3.18Å; L17-T22 HydrophobicContact CD2-CG2 4.48Å; L17-F26 HydrophobicContact CD1-CD1 4.42Å; L17-F26 HydrophobicContact CD2-CB 3.68Å; L17-F26 HydrophobicContact CD2-CD1 3.98Å; L17-F26 HydrophobicContact CD2-CD2 4.4Å; L17-F26 HydrophobicContact CD2-CG 3.75Å; L17-L91 HydrophobicContact CD1-CD1 3.58Å; L17-C94 HydrophobicContact CB-CB 4.27Å
18T87.8Confident76.8Confident82 Ų8263.4 Ų63.450%0.50338%0.377SS..THydrogen-bonded Turntrans-68.3-25.2169.156.30000112.2N16 S20 E90N16-T18 PolarHBondContact O-N 3.45Å; N16-T18 VanDerWaalsContact O-N 3.08Å; N16-T18 PolarHBondContact OD1-OG1 3.5Å; T18-S20 PolarHBondContact O-N 3.22Å; T18-E90 HydrophobicContact CG2-CB 4.03Å; T18-E90 HydrophobicContact CG2-CG 3.6Å
19N92.2Very high79.4Confident72 Ų7260 Ų6039%0.38535%0.353SS..SBendtrans-74.7123.7171.7-178.1-73.3000110.2N16 H21 T22 C23N16-N19 PolarHBondContact O-N 2.83Å; N16-N19 VanDerWaalsContact O-N 3.11Å; N19-H21 VanDerWaalsContact C-N 3.33Å; N19-H21 PolarHBondContact O-N 3.47Å; N19-H21 WeakPolarHBondContact OD1-CA 3.25Å; N19-H21 VanDerWaalsContact OD1-CB 3.31Å; N19-H21 WeakPolarHBondContact OD1-CB 3.26Å; N19-H21 PolarHBondContact OD1-N 3.08Å; N19-T22 PolarHBondContact O-N 2.78Å; N19-T22 PolarHBondContact OD1-N 2.75Å; N19-T22 PolarHBondContact OD1-OG1 2.93Å; N19-C23 WeakPolarHBondContact O-CB 3.3Å; N19-C23 PolarHBondContact O-N 3.08Å
20S91Very high81.9Confident83 Ų8360.6 Ų60.658%0.5834%0.337SS*.Hα-helixtrans-61.2-37.2-176.91790000113.5T18 C23 N24T18-S20 PolarHBondContact O-N 3.22Å; S20-C23 PolarHBondContact O-N 2.72Å; S20-N24 WeakPolarHBondContact O-CB 3.33Å; S20-N24 PolarHBondContact O-N 2.68Å; S20-N24 PolarHBondContact O-ND2 3.18Å
21H91.8Very high84.1Confident128 Ų12862.3 Ų62.359%0.59336%0.358SS*.Hα-helixtrans-66.4-49.8177.4179.863.8000110.8N19 C23 N24 E25N19-H21 VanDerWaalsContact C-N 3.33Å; N19-H21 PolarHBondContact O-N 3.47Å; N19-H21 WeakPolarHBondContact OD1-CA 3.25Å; N19-H21 VanDerWaalsContact OD1-CB 3.31Å; N19-H21 WeakPolarHBondContact OD1-CB 3.26Å; N19-H21 PolarHBondContact OD1-N 3.08Å; H21-C23 VanDerWaalsContact C-N 3.3Å; H21-C23 PolarHBondContact O-N 2.77Å; H21-N24 PolarHBondContact O-N 2.7Å; H21-N24 VanDerWaalsContact O-N 3.16Å; H21-E25 IonicContact CE1-OE1 3.93Å; H21-E25 WeakPolarHBondContact O-CG 3.22Å; H21-E25 PolarHBondContact O-N 3.33Å
22T93Very high86.5Confident39 Ų3961.2 Ų61.224%0.23935%0.35CS..Hα-helixtrans-58.3-42.3175.4-52.20000112L17 N19 E25 F26L17-T22 HydrophobicContact CD2-CG2 4.48Å; N19-T22 PolarHBondContact O-N 2.78Å; N19-T22 PolarHBondContact OD1-N 2.75Å; N19-T22 PolarHBondContact OD1-OG1 2.93Å; T22-E25 PolarHBondContact O-N 3.16Å; T22-F26 VanDerWaalsContact O-CB 3.28Å; T22-F26 WeakPolarHBondContact O-CB 3.47Å; T22-F26 PolarHBondContact O-N 3.03Å
23C94.8Very high88.6Confident6 Ų663.3 Ų63.34%0.04135%0.351CS..Hα-helixtrans-61.5-44.2176.21710000112.4N19 S20 H21 F26 K27 C94N19-C23 WeakPolarHBondContact O-CB 3.3Å; N19-C23 PolarHBondContact O-N 3.08Å; S20-C23 PolarHBondContact O-N 2.72Å; H21-C23 VanDerWaalsContact C-N 3.3Å; H21-C23 PolarHBondContact O-N 2.77Å; C23-F26 PolarHBondContact O-N 3.13Å; C23-K27 WeakPolarHBondContact O-CG 3.37Å; C23-K27 PolarHBondContact O-N 2.94Å; C23-K27 VanDerWaalsContact SG-CE 3.58Å; C23-C94 VanDerWaalsContact CA-SG 3.55Å; C23-C94 HydrophobicContact CB-CB 3.96Å; C23-C94 WeakPolarHBondContact CB-SG 3.43Å; C23-C94 VanDerWaalsContact SG-C 3.54Å; C23-C94 WeakPolarHBondContact SG-CA 3.45Å; C23-C94 WeakPolarHBondContact SG-CB 3.42Å; C23-C94 PolarHBondContact SG-O 2.97Å; C23-C94 CovalentContact SG-SG 2.03Å; C23-C94 PolarHBondContact SG-SG 3.27Å
24N93.8Very high90.4Very high81 Ų8163.6 Ų63.643%0.43335%0.347SS..Hα-helixtrans-65.3-46.5178.5-72.8-22.8000111.3S20 H21 F26 K27 L28S20-N24 WeakPolarHBondContact O-CB 3.33Å; S20-N24 PolarHBondContact O-N 2.68Å; S20-N24 PolarHBondContact O-ND2 3.18Å; H21-N24 PolarHBondContact O-N 2.7Å; H21-N24 VanDerWaalsContact O-N 3.16Å; N24-F26 VanDerWaalsContact C-N 3.32Å; N24-F26 PolarHBondContact O-N 3.3Å; N24-K27 PolarHBondContact O-N 3.35Å; N24-L28 WeakPolarHBondContact O-CG 3.5Å
25E94.4Very high91.6Very high104 Ų10467.1 Ų67.149%0.48637%0.366SS..Hα-helixtrans-59.8-42.2175.3-71.8-58.1129.800111.9H21 T22 K27 L28H21-E25 IonicContact CE1-OE1 3.93Å; H21-E25 WeakPolarHBondContact O-CG 3.22Å; H21-E25 PolarHBondContact O-N 3.33Å; T22-E25 PolarHBondContact O-N 3.16Å; E25-K27 VanDerWaalsContact C-N 3.26Å; E25-K27 PolarHBondContact O-N 3.26Å; E25-L28 WeakPolarHBondContact O-CB 3.45Å; E25-L28 PolarHBondContact O-N 3.31Å; E25-L28 VanDerWaalsContact O-N 3.15Å
26F95.2Very high93Very high11 Ų1164.4 Ų64.45%0.04835%0.348CS..Hα-helixtrans-58-39.3179.4176.4-105.9000112.4G13 L17 T22 C23 N24 L28 A59 R63 L91 F95G13-F26 WeakPolarHBondContact O-CD2 3.36Å; L17-F26 HydrophobicContact CD1-CD1 4.42Å; L17-F26 HydrophobicContact CD2-CB 3.68Å; L17-F26 HydrophobicContact CD2-CD1 3.98Å; L17-F26 HydrophobicContact CD2-CD2 4.4Å; L17-F26 HydrophobicContact CD2-CG 3.75Å; T22-F26 VanDerWaalsContact O-CB 3.28Å; T22-F26 WeakPolarHBondContact O-CB 3.47Å; T22-F26 PolarHBondContact O-N 3.03Å; C23-F26 PolarHBondContact O-N 3.13Å; N24-F26 VanDerWaalsContact C-N 3.32Å; N24-F26 PolarHBondContact O-N 3.3Å; F26-L28 VanDerWaalsContact C-N 3.29Å; F26-L28 PolarHBondContact O-N 3.29Å; F26-A59 HydrophobicContact CE1-CB 4.15Å; F26-A59 HydrophobicContact CE2-CB 4.49Å; F26-A59 HydrophobicContact CZ-CB 3.65Å; F26-A59 WeakPolarHBondContact CZ-O 2.86Å; F26-R63 HydrophobicContact CE1-CB 3.91Å; F26-R63 HydrophobicContact CE1-CG 4.43Å; F26-R63 HydrophobicContact CZ-CB 4.04Å; F26-R63 WeakPolarHBondContact O-CD 3.36Å; F26-R63 PolarHBondContact O-NH1 3.19Å; F26-R63 VanDerWaalsContact O-NH1 3.17Å; F26-L91 HydrophobicContact CE1-CD1 4.48Å; F26-F95 HydrophobicContact CD1-CE2 4.42Å; F26-F95 HydrophobicContact CD1-CZ 4.28Å; F26-F95 HydrophobicContact CE1-CE2 4.04Å; F26-F95 AromaticContact CE1-CZ 3.96Å; F26-F95 HydrophobicContact CE1-CZ 3.96Å
27K95.2Very high94Very high57 Ų5760.9 Ų60.925%0.24833%0.329CS..Hα-helixtrans-70.9-20-178.5-70.1171.1-178.5176.40113.9C23 N24 E25 C94 F95C23-K27 WeakPolarHBondContact O-CG 3.37Å; C23-K27 PolarHBondContact O-N 2.94Å; C23-K27 VanDerWaalsContact SG-CE 3.58Å; N24-K27 PolarHBondContact O-N 3.35Å; E25-K27 VanDerWaalsContact C-N 3.26Å; E25-K27 PolarHBondContact O-N 3.26Å; K27-C94 WeakPolarHBondContact CE-O 3.45Å; K27-C94 PolarHBondContact NZ-O 3.12Å; K27-F95 HydrophobicContact CD-CD1 4.47Å; K27-F95 HydrophobicContact CD-CE1 4.41Å; K27-F95 HydrophobicContact CG-CD1 4.32Å; K27-F95 HydrophobicContact CG-CE1 3.8Å; K27-F95 HydrophobicContact CG-CZ 4.17Å
28L95.8Very high94.6Very high28 Ų2865.1 Ų65.115%0.14736%0.356CS..  trans-67.5143.7-176.4-58.8178.4000111.6N24 E25 F26 E32 V33N24-L28 WeakPolarHBondContact O-CG 3.5Å; E25-L28 WeakPolarHBondContact O-CB 3.45Å; E25-L28 PolarHBondContact O-N 3.31Å; E25-L28 VanDerWaalsContact O-N 3.15Å; F26-L28 VanDerWaalsContact C-N 3.29Å; F26-L28 PolarHBondContact O-N 3.29Å; L28-E32 WeakPolarHBondContact CA-O 3.29Å; L28-V33 HydrophobicContact CD2-CB 4.34Å; L28-V33 HydrophobicContact CD2-CG2 3.57Å
29F96Very high95.1Very high2 Ų263.9 Ų63.91%0.00934%0.344CS..BIsolated β-bridgetrans-98.6101.1171.1-79.230.4000106.7G31 E32 V34 R63 L64 M326 V329 L330F29-G31 PolarHBondContact O-N 2.99Å; F29-E32 PolarHBondContact N-O 3.46Å; F29-E32 WeakPolarHBondContact O-CB 3.31Å; F29-E32 PolarHBondContact O-N 3.07Å; F29-V34 HydrophobicContact CB-CG2 3.88Å; F29-V34 HydrophobicContact CD1-CG2 3.41Å; F29-V34 VanDerWaalsContact CD1-CG2 3.41Å; F29-V34 HydrophobicContact CD2-CG2 3.62Å; F29-V34 HydrophobicContact CE1-CG2 3.71Å; F29-V34 HydrophobicContact CE2-CG2 3.92Å; F29-V34 HydrophobicContact CG-CG2 3.35Å; F29-V34 HydrophobicContact CZ-CG2 3.94Å; F29-R63 HydrophobicContact CE1-CG 3.89Å; F29-R63 WeakPolarHBondContact CE1-O 3.45Å; F29-L64 HydrophobicContact CE2-CD2 4.43Å; F29-L64 HydrophobicContact CZ-CD2 4.16Å; F29-M326 HydrophobicContact CD1-CE 4.01Å; F29-M326 HydrophobicContact CD2-CB 3.93Å; F29-M326 HydrophobicContact CD2-CG 3.75Å; F29-M326 HydrophobicContact CE1-CE 4.13Å; F29-M326 HydrophobicContact CE2-CB 4.43Å; F29-M326 HydrophobicContact CE2-CG 3.96Å; F29-M326 HydrophobicContact CG-CB 4.42Å; F29-M326 HydrophobicContact CG-CE 4.37Å; F29-M326 HydrophobicContact CG-CG 4.05Å; F29-M326 HydrophobicContact CZ-CG 4.47Å; F29-V329 HydrophobicContact CD2-CB 4.06Å; F29-V329 HydrophobicContact CD2-CG1 4.01Å; F29-V329 HydrophobicContact CE2-CB 4.02Å; F29-V329 HydrophobicContact CE2-CG1 4.04Å; F29-V329 HydrophobicContact CE2-CG2 4.04Å; F29-L330 HydrophobicContact CB-CD1 4.36Å; F29-L330 HydrophobicContact CB-CD2 3.93Å; F29-L330 HydrophobicContact CB-CG 4.22Å
30R93Very high95.4Very high133 Ų13360.8 Ų60.850%0.50233%0.327SS..THydrogen-bonded Turntrans52.341.7-176.9-62.5-175.1155.8-136.4-7.9113.3E32 N323 E327 L330R30-E32 VanDerWaalsContact C-N 3.32Å; R30-N323 VanDerWaalsContact CZ-OD1 3.29Å; R30-N323 PolarHBondContact NE-OD1 3.13Å; R30-N323 PolarHBondContact NH2-OD1 3.4Å; R30-E327 WeakPolarHBondContact CD-OE1 3.35Å; R30-E327 IonicContact CZ-OE1 2.76Å; R30-E327 IonicContact NE-OE1 2.97Å; R30-E327 PolarHBondContact NE-OE1 2.89Å; R30-E327 IonicContact NH1-OE1 3.38Å; R30-E327 PolarHBondContact NH1-OE1 3.25Å; R30-E327 IonicContact NH2-OE1 3.29Å; R30-L330 HydrophobicContact CB-CD1 4.05Å; R30-L330 HydrophobicContact CG-CD1 4.37Å
31G93.7Very high95.7Very high56 Ų5662.5 Ų62.558%0.57732%0.324SS*.THydrogen-bonded Turntrans85.2-1.518000000114.6F29F29-G31 PolarHBondContact O-N 2.99Å
32E96.1Very high96.1Very high63 Ų6363.1 Ų63.129%0.29433%0.327SS..BIsolated β-bridgetrans-104.3139.6179.2-62.6-179.4-123.300111.8L28 F29 R30 V34 L330 R334L28-E32 WeakPolarHBondContact CA-O 3.29Å; F29-E32 PolarHBondContact N-O 3.46Å; F29-E32 WeakPolarHBondContact O-CB 3.31Å; F29-E32 PolarHBondContact O-N 3.07Å; R30-E32 VanDerWaalsContact C-N 3.32Å; E32-V34 PolarHBondContact O-N 3.19Å; E32-L330 HydrophobicContact CB-CD2 3.8Å; E32-L330 HydrophobicContact CG-CD2 4.37Å; E32-R334 IonicContact OE1-CZ 3.55Å; E32-R334 IonicContact OE1-NE 3.75Å; E32-R334 IonicContact OE1-NH2 2.81Å; E32-R334 PolarHBondContact OE1-NH2 2.65Å; E32-R334 IonicContact OE2-NE 2.85Å
33V96.1Very high96.3Very high102 Ų10262.6 Ų62.662%0.61832%0.322SS*.PPolyproline II helixtrans-74.2122.6172.7177.50000108.6L28 Q35 M333L28-V33 HydrophobicContact CD2-CB 4.34Å; L28-V33 HydrophobicContact CD2-CG2 3.57Å; V33-Q35 PolarHBondContact O-N 2.9Å; V33-M333 VanDerWaalsContact O-CE 3.26Å; V33-M333 WeakPolarHBondContact O-CE 3.46Å
34V97.1Very high96.5Very high32 Ų3263.1 Ų63.119%0.19433%0.326CS..PPolyproline II helixtrans-67.5120177.8-179.70000110.4F29 E32 R67 V329 M333F29-V34 HydrophobicContact CB-CG2 3.88Å; F29-V34 HydrophobicContact CD1-CG2 3.41Å; F29-V34 VanDerWaalsContact CD1-CG2 3.41Å; F29-V34 HydrophobicContact CD2-CG2 3.62Å; F29-V34 HydrophobicContact CE1-CG2 3.71Å; F29-V34 HydrophobicContact CE2-CG2 3.92Å; F29-V34 HydrophobicContact CG-CG2 3.35Å; F29-V34 HydrophobicContact CZ-CG2 3.94Å; E32-V34 PolarHBondContact O-N 3.19Å; V34-R67 VanDerWaalsContact CG1-CZ 3.48Å; V34-V329 HydrophobicContact CG1-CG1 3.84Å; V34-V329 HydrophobicContact CG2-CG1 4.42Å; V34-M333 HydrophobicContact CG1-SD 4.27Å
35Q96.1Very high96.8Very high142 Ų14259.3 Ų59.366%0.66431%0.305SS*.PPolyproline II helixtrans-102.9144.5174.7-63.3-172.1-1100110.3V33 M333V33-Q35 PolarHBondContact O-N 2.9Å; Q35-M333 HydrophobicContact CB-CE 4.21Å; Q35-M333 HydrophobicContact CG-CE 4.33Å
36S97.4Very high97Very high20 Ų2054.3 Ų54.314%0.1428%0.282CS..  trans-105.1141.4176.4-44.90000111.1E40 K41 R67 H69S36-E40 WeakPolarHBondContact CA-OE2 3.47Å; S36-K41 WeakPolarHBondContact O-CE 3.31Å; S36-R67 WeakPolarHBondContact OG-CD 3.03Å; S36-H69 VanDerWaalsContact CB-CE1 3.44Å; S36-H69 WeakPolarHBondContact CB-CE1 3.35Å; S36-H69 PolarHBondContact OG-CE1 2.05Å; S36-H69 VanDerWaalsContact OG-CE1 3.26Å
37T97.9Very high97.2Very high26 Ų2653.8 Ų53.816%0.1628%0.279CS..  trans-64.1164.9172.864.30000111.7E39 E40 K41 W153T37-E39 PolarHBondContact O-N 2.97Å; T37-E40 PolarHBondContact N-OE2 3.34Å; T37-E40 PolarHBondContact O-N 3.13Å; T37-E40 WeakPolarHBondContact OG1-CG 3.03Å; T37-E40 PolarHBondContact OG1-N 2.92Å; T37-E40 VanDerWaalsContact OG1-N 3.14Å; T37-E40 PolarHBondContact OG1-OE2 3.24Å; T37-K41 WeakPolarHBondContact O-CG 3.29Å; T37-K41 PolarHBondContact O-N 3.09Å; T37-W153 HydrophobicContact CG2-CD2 3.81Å; T37-W153 HydrophobicContact CG2-CE3 3.81Å; T37-W153 HydrophobicContact CG2-CG 4.48Å; T37-W153 HydrophobicContact CG2-CH2 3.95Å; T37-W153 HydrophobicContact CG2-CZ2 3.96Å; T37-W153 HydrophobicContact CG2-CZ3 3.88Å
38V98Very high97.3Very high100 Ų10051.2 Ų51.261%0.60627%0.269SS*.Hα-helixtrans-61.1-39.4172175.80000110.6E40 K41 Q42V38-E40 PolarHBondContact O-N 2.72Å; V38-K41 PolarHBondContact O-N 3.07Å; V38-Q42 HydrophobicContact CG1-CG 4.28Å; V38-Q42 WeakPolarHBondContact O-CB 3.03Å; V38-Q42 WeakPolarHBondContact O-CG 3.35Å; V38-Q42 PolarHBondContact O-N 3.46Å
39E98.2Very high97.5Very high57 Ų5750.1 Ų50.127%0.26626%0.263SS..Hα-helixtrans-59.4-47.3178.1176.3168.9-14400111.9T37 Q42 F43 W153 V156 K160T37-E39 PolarHBondContact O-N 2.97Å; E39-Q42 PolarHBondContact O-N 3.35Å; E39-F43 PolarHBondContact O-N 3.04Å; E39-W153 PolarHBondContact OE2-NE1 3.03Å; E39-V156 HydrophobicContact CG-CG1 3.81Å; E39-K160 HydrophobicContact CG-CD 4.34Å; E39-K160 WeakPolarHBondContact OE1-CD 3.45Å; E39-K160 WeakPolarHBondContact OE1-CE 3.33Å; E39-K160 IonicContact OE1-NZ 2.69Å; E39-K160 PolarHBondContact OE1-NZ 3.26Å
40E98.6Very high97.5Very high7 Ų751.5 Ų51.53%0.03328%0.275CS..Hα-helixtrans-59.5-47.9176-74171.295.500111.6S36 T37 V38 Q42 F43 R67 H69 N152 W153 V156S36-E40 WeakPolarHBondContact CA-OE2 3.47Å; T37-E40 PolarHBondContact N-OE2 3.34Å; T37-E40 PolarHBondContact O-N 3.13Å; T37-E40 WeakPolarHBondContact OG1-CG 3.03Å; T37-E40 PolarHBondContact OG1-N 2.92Å; T37-E40 VanDerWaalsContact OG1-N 3.14Å; T37-E40 PolarHBondContact OG1-OE2 3.24Å; V38-E40 PolarHBondContact O-N 2.72Å; E40-Q42 PolarHBondContact O-N 2.96Å; E40-F43 CarbonylContact O-C 3.58Å; E40-F43 PolarHBondContact O-N 2.75Å; E40-R67 IonicContact OE1-NE 3.43Å; E40-H69 PolarHBondContact O-CD2 2.79Å; E40-H69 VanDerWaalsContact O-CD2 3.23Å; E40-H69 PolarHBondContact O-NE2 2.95Å; E40-N152 WeakPolarHBondContact CG-ND2 3.35Å; E40-N152 WeakPolarHBondContact OE1-CB 3.16Å; E40-N152 PolarHBondContact OE1-ND2 3.49Å; E40-W153 HydrophobicContact CG-CB 3.89Å; E40-W153 HydrophobicContact CG-CG 4.09Å; E40-W153 PolarHBondContact OE1-N 3.12Å; E40-V156 HydrophobicContact CG-CG2 4.33Å
41K98.5Very high97.7Very high119 Ų11945.5 Ų45.552%0.51725%0.252SS..Hα-helixtrans-61.8-30.7-179.3-69.7172.5-176.7172.80113.2S36 T37 V38 F43S36-K41 WeakPolarHBondContact O-CE 3.31Å; T37-K41 WeakPolarHBondContact O-CG 3.29Å; T37-K41 PolarHBondContact O-N 3.09Å; V38-K41 PolarHBondContact O-N 3.07Å; K41-F43 VanDerWaalsContact C-N 3.35Å
42Q98.3Very high97.8Very high140 Ų14046.8 Ų46.865%0.65424%0.243SC*.Hα-helixtrans-85.1-7.7178-70.8178.2-19.600113.5V38 E39 E40 P44V38-Q42 HydrophobicContact CG1-CG 4.28Å; V38-Q42 WeakPolarHBondContact O-CB 3.03Å; V38-Q42 WeakPolarHBondContact O-CG 3.35Å; V38-Q42 PolarHBondContact O-N 3.46Å; E39-Q42 PolarHBondContact O-N 3.35Å; E40-Q42 PolarHBondContact O-N 2.96Å; Q42-P44 VanDerWaalsContact C-CD 3.42Å
43F98.7Very high97.7Very high28 Ų2845.1 Ų45.112%0.12324%0.243CC..SBendtrans-126.365176.9-156-85.3000111.8E39 E40 K41 L45 K137 Y138 V156 L159 K160E39-F43 PolarHBondContact O-N 3.04Å; E40-F43 CarbonylContact O-C 3.58Å; E40-F43 PolarHBondContact O-N 2.75Å; K41-F43 VanDerWaalsContact C-N 3.35Å; F43-L45 HydrophobicContact CD1-CD2 3.82Å; F43-L45 HydrophobicContact CE1-CD2 3.89Å; F43-L45 PolarHBondContact O-N 3.32Å; F43-K137 HydrophobicContact CD1-CB 3.99Å; F43-K137 HydrophobicContact CD1-CG 4.1Å; F43-K137 HydrophobicContact CD2-CB 4.36Å; F43-K137 HydrophobicContact CD2-CG 3.87Å; F43-K137 HydrophobicContact CE1-CB 3.63Å; F43-K137 HydrophobicContact CE1-CG 4.16Å; F43-K137 HydrophobicContact CE2-CB 4.03Å; F43-K137 HydrophobicContact CE2-CG 3.93Å; F43-K137 HydrophobicContact CG-CB 4.35Å; F43-K137 HydrophobicContact CG-CG 3.96Å; F43-K137 HydrophobicContact CZ-CB 3.66Å; F43-K137 HydrophobicContact CZ-CG 4.08Å; F43-Y138 AromaticContact CE1-CD2 3.86Å; F43-Y138 HydrophobicContact CE1-CD2 3.86Å; F43-Y138 HydrophobicContact CE1-CE2 4.4Å; F43-Y138 AromaticContact CZ-CD2 3.79Å; F43-Y138 HydrophobicContact CZ-CD2 3.79Å; F43-Y138 AromaticContact CZ-CE2 3.91Å; F43-Y138 HydrophobicContact CZ-CE2 3.91Å; F43-V156 HydrophobicContact CB-CG1 3.58Å; F43-V156 HydrophobicContact CB-CG2 4.23Å; F43-V156 HydrophobicContact CD1-CB 4.44Å; F43-V156 HydrophobicContact CD1-CG1 4.09Å; F43-V156 HydrophobicContact CD1-CG2 4.15Å; F43-V156 HydrophobicContact CG-CG1 3.92Å; F43-L159 HydrophobicContact CE1-CB 3.83Å; F43-L159 HydrophobicContact CE1-CD1 4.29Å; F43-L159 HydrophobicContact CZ-CB 4.1Å; F43-K160 HydrophobicContact CD2-CD 3.94Å; F43-K160 HydrophobicContact CD2-CG 3.63Å; F43-K160 HydrophobicContact CE2-CD 4.32Å; F43-K160 HydrophobicContact CE2-CG 3.5Å; F43-K160 VanDerWaalsContact CE2-CG 3.5Å; F43-K160 HydrophobicContact CG-CD 4.42Å; F43-K160 HydrophobicContact CG-CG 4.28Å; F43-K160 HydrophobicContact CZ-CG 4.05Å
44P98.8Very high97.6Very high18 Ų1842.7 Ų42.712%0.11723%0.226CC..  trans-57.4137.8179.3-27.438000113.2Q42 H69 I134 W136 K137Q42-P44 VanDerWaalsContact C-CD 3.42Å; P44-H69 VanDerWaalsContact CB-O 3.26Å; P44-H69 WeakPolarHBondContact CB-O 3.44Å; P44-I134 HydrophobicContact CB-CG2 3.83Å; P44-I134 HydrophobicContact CG-CG2 4.44Å; P44-W136 HydrophobicContact CB-CB 4.38Å; P44-W136 CarbonylContact O-C 3.37Å; P44-W136 VanDerWaalsContact O-CA 3.27Å; P44-W136 WeakPolarHBondContact O-CA 3.13Å; P44-W136 WeakPolarHBondContact O-CB 3.28Å; P44-K137 PolarHBondContact O-N 2.9Å
45L98.9Very high97.4Very high0 Ų042.2 Ų42.20%022%0.223CC..EExtended strand (participates in β ladder)trans-107.2149.6174.4-57-178.8000110.4F43 F47 N70 L71 L140 L155 V156 L159F43-L45 HydrophobicContact CD1-CD2 3.82Å; F43-L45 HydrophobicContact CE1-CD2 3.89Å; F43-L45 PolarHBondContact O-N 3.32Å; L45-F47 HydrophobicContact CB-CE2 3.75Å; L45-F47 HydrophobicContact CB-CZ 4.14Å; L45-F47 HydrophobicContact CD1-CE2 4.45Å; L45-F47 HydrophobicContact CD1-CZ 4.09Å; L45-N70 PolarHBondContact N-OD1 2.66Å; L45-N70 CarbonylContact O-C 3.59Å; L45-N70 VanDerWaalsContact O-CA 3.28Å; L45-N70 WeakPolarHBondContact O-CA 3.31Å; L45-N70 VanDerWaalsContact O-CB 3.24Å; L45-N70 WeakPolarHBondContact O-CB 3.45Å; L45-L71 PolarHBondContact O-N 2.75Å; L45-L140 HydrophobicContact CB-CD1 4.3Å; L45-L140 HydrophobicContact CD1-CD1 4.32Å; L45-L140 HydrophobicContact CD2-CD1 4.42Å; L45-L155 HydrophobicContact CD1-CB 3.92Å; L45-L155 HydrophobicContact CD1-CD1 4.34Å; L45-V156 HydrophobicContact CD1-CG2 4.26Å; L45-V156 HydrophobicContact CG-CG2 4.38Å; L45-L159 HydrophobicContact CD1-CD1 4.35Å; L45-L159 HydrophobicContact CD2-CD1 3.55Å
46A98.9Very high97.3Very high0 Ų036.3 Ų36.30%020%0.195CC..EExtended strand (participates in β ladder)trans-107.9145.1168.600000110.9L71 L128 W136 Y138 I139 L140A46-L71 CarbonylContact C-O 3.55Å; A46-L71 WeakPolarHBondContact CA-O 3.4Å; A46-L128 HydrophobicContact CB-CD1 4.19Å; A46-L128 HydrophobicContact CB-CD2 4.46Å; A46-W136 HydrophobicContact CB-CB 3.97Å; A46-W136 HydrophobicContact CB-CD2 3.56Å; A46-W136 HydrophobicContact CB-CE3 3.98Å; A46-W136 HydrophobicContact CB-CG 3.53Å; A46-Y138 PolarHBondContact N-O 2.84Å; A46-I139 HydrophobicContact CB-CB 4.09Å; A46-I139 HydrophobicContact CB-CG1 4.11Å; A46-I139 CarbonylContact O-C 3.59Å; A46-I139 VanDerWaalsContact O-CA 3.29Å; A46-I139 WeakPolarHBondContact O-CA 3.47Å; A46-L140 PolarHBondContact O-N 2.86Å
47F98.9Very high97.1Very high0 Ų035.8 Ų35.80%019%0.19CC..EExtended strand (participates in β ladder)trans-127.3128.7176.9-64.2-91.4000111.1L45 L49 I65 N70 L71 Y72 C73 L140 V142 L155 F305L45-F47 HydrophobicContact CB-CE2 3.75Å; L45-F47 HydrophobicContact CB-CZ 4.14Å; L45-F47 HydrophobicContact CD1-CE2 4.45Å; L45-F47 HydrophobicContact CD1-CZ 4.09Å; F47-L49 HydrophobicContact CB-CD1 3.65Å; F47-I65 HydrophobicContact CB-CD1 4.45Å; F47-I65 HydrophobicContact CD1-CD1 4.07Å; F47-I65 HydrophobicContact CG-CD1 4.16Å; F47-N70 HydrophobicContact CE2-CB 4.48Å; F47-L71 PolarHBondContact N-O 2.55Å; F47-Y72 HydrophobicContact CB-CD1 3.73Å; F47-Y72 HydrophobicContact CB-CE1 4.14Å; F47-Y72 AromaticContact CD2-CD1 3.72Å; F47-Y72 HydrophobicContact CD2-CD1 3.72Å; F47-Y72 AromaticContact CD2-CE1 3.26Å; F47-Y72 HydrophobicContact CD2-CE1 3.26Å; F47-Y72 AromaticContact CD2-CZ 3.89Å; F47-Y72 AromaticContact CE2-CE1 3.85Å; F47-Y72 HydrophobicContact CE2-CE1 3.85Å; F47-Y72 HydrophobicContact CG-CD1 4Å; F47-Y72 AromaticContact CG-CE1 3.87Å; F47-Y72 HydrophobicContact CG-CE1 3.87Å; F47-Y72 WeakPolarHBondContact O-CA 3.32Å; F47-C73 PolarHBondContact O-N 2.99Å; F47-L140 CarbonylContact C-O 3.57Å; F47-L140 VanDerWaalsContact CA-O 3.26Å; F47-L140 WeakPolarHBondContact CA-O 3.4Å; F47-L140 HydrophobicContact CD1-CB 3.99Å; F47-L140 HydrophobicContact CE1-CB 4.09Å; F47-L140 HydrophobicContact CE1-CD1 4.16Å; F47-L140 HydrophobicContact CE1-CD2 4.42Å; F47-L140 HydrophobicContact CE1-CG 4.46Å; F47-L140 HydrophobicContact CZ-CD1 4.39Å; F47-V142 HydrophobicContact CD1-CG2 4.13Å; F47-L155 HydrophobicContact CE1-CD1 4.46Å; F47-L155 HydrophobicContact CZ-CD1 4.25Å; F47-F305 HydrophobicContact CE1-CZ 4.15Å
48S98.7Very high97Very high3 Ų334.8 Ų34.82%0.02118%0.184CC..EExtended strand (participates in β ladder)trans-102.8104.5170.4170.60000109.2C73 C124 L140 N141 V142S48-C73 CarbonylContact C-O 3.53Å; S48-C124 VanDerWaalsContact OG-CB 3.29Å; S48-C124 WeakPolarHBondContact OG-CB 3.44Å; S48-L140 PolarHBondContact N-O 2.87Å; S48-N141 CarbonylContact O-C 3.59Å; S48-N141 VanDerWaalsContact O-CA 3.29Å; S48-N141 WeakPolarHBondContact O-CA 3.35Å; S48-V142 PolarHBondContact O-N 3.46Å
49L98.6Very high96.9Very high4 Ų430 Ų302%0.02116%0.156CC..EExtended strand (participates in β ladder)trans-95.8122.5-178.9-70.583.2000110.6F47 L61 I65 Y72 C73 I74 H75 V142F47-L49 HydrophobicContact CB-CD1 3.65Å; L49-L61 HydrophobicContact CD2-CD2 4.37Å; L49-I65 HydrophobicContact CD1-CD1 4.31Å; L49-I65 HydrophobicContact CD2-CD1 4.25Å; L49-Y72 HydrophobicContact CD1-CD1 4.24Å; L49-C73 PolarHBondContact N-O 2.96Å; L49-I74 HydrophobicContact CB-CG1 4.23Å; L49-I74 HydrophobicContact CB-CG2 4.44Å; L49-H75 PolarHBondContact O-N 3.01Å; L49-V142 CarbonylContact C-O 3.58Å; L49-V142 VanDerWaalsContact CA-O 3.24Å; L49-V142 WeakPolarHBondContact CA-O 3.18Å
50A97.9Very high96.7Very high32 Ų3227.8 Ų27.826%0.26415%0.145SC..EExtended strand (participates in β ladder)trans-105.1114.5171.400000110.1V120 V142 S143 G144A50-V120 HydrophobicContact CB-CG1 3.93Å; A50-V142 PolarHBondContact N-O 3.45Å; A50-S143 WeakPolarHBondContact O-CA 3.29Å; A50-G144 PolarHBondContact O-N 3.44Å
51I97.3Very high96.7Very high6 Ų627.5 Ų27.53%0.03114%0.143CC..EExtended strand (participates in β ladder)trans-129.3146.2-176.665175000111.5A58 I74 H75 V76 D77 F84 V88I51-A58 HydrophobicContact CD1-CB 4.2Å; I51-A58 HydrophobicContact CG2-CB 4.45Å; I51-I74 HydrophobicContact CD1-CG2 3.42Å; I51-I74 VanDerWaalsContact CD1-CG2 3.42Å; I51-I74 HydrophobicContact CG1-CG2 3.78Å; I51-H75 WeakPolarHBondContact CG1-O 3.48Å; I51-H75 PolarHBondContact N-O 3.3Å; I51-V76 HydrophobicContact CD1-CG2 3.98Å; I51-V76 HydrophobicContact CG1-CG2 3.92Å; I51-V76 CarbonylContact O-C 3.59Å; I51-V76 WeakPolarHBondContact O-CA 3.3Å; I51-D77 PolarHBondContact O-N 2.74Å; I51-F84 HydrophobicContact CD1-CE1 4.29Å; I51-F84 HydrophobicContact CD1-CZ 4.07Å; I51-F84 HydrophobicContact CG1-CE1 4.28Å; I51-F84 HydrophobicContact CG1-CZ 4.38Å; I51-V88 HydrophobicContact CD1-CB 4.31Å; I51-V88 HydrophobicContact CD1-CG1 3.84Å; I51-V88 HydrophobicContact CD1-CG2 3.45Å; I51-V88 VanDerWaalsContact CD1-CG2 3.45Å
52H95.1Very high96.6Very high84 Ų8421.9 Ų21.939%0.38912%0.119SC..  trans-133.3-4.9-179.162.8-85.8000113.6D77 S80 Q145H52-D77 HydrophobicContact CB-CB 3.87Å; H52-S80 VanDerWaalsContact CA-OG 3.3Å; H52-S80 WeakPolarHBondContact CA-OG 3.4Å; H52-S80 PolarHBondContact O-OG 2.88Å; H52-Q145 PolarHBondContact CE1-OE1 2.86Å
53G93.7Very high96.6Very high27 Ų2716.6 Ų16.628%0.2789%0.093SC..SBendtrans174.1-180179.800000111.6F84G53-F84 VanDerWaalsContact C-CE2 3.42Å; G53-F84 VanDerWaalsContact N-CE1 3.32Å
54N93.2Very high96.6Very high51 Ų5115.5 Ų15.527%0.2739%0.088SC..  trans59.583.1-179.2-164-35.3000113.5K56 Q57 A58 E311N54-K56 PolarHBondContact O-N 3.45Å; N54-K56 WeakPolarHBondContact OD1-CB 3.08Å; N54-K56 PolarHBondContact OD1-N 3.37Å; N54-Q57 HydrophobicContact CB-CB 4.3Å; N54-Q57 HydrophobicContact CB-CG 4.45Å; N54-Q57 PolarHBondContact ND2-OE1 2.76Å; N54-Q57 PolarHBondContact O-N 3.29Å; N54-Q57 PolarHBondContact OD1-N 2.92Å; N54-A58 PolarHBondContact O-N 3.47Å; N54-A58 VanDerWaalsContact O-N 3.11Å; N54-E311 PolarHBondContact ND2-OE2 2.69Å; N54-E311 PolarHBondContact OD1-OE2 3.19Å
55I93.8Very high96.5Very high23 Ų2315 Ų1512%0.1189%0.085CC..Hα-helixtrans-61-33.7-178.7-174.562.2000111.9A58 A59 F84 E87 V88 L91I55-A58 PolarHBondContact O-N 3.27Å; I55-A59 VanDerWaalsContact O-CB 3.23Å; I55-A59 WeakPolarHBondContact O-CB 3.47Å; I55-A59 PolarHBondContact O-N 2.92Å; I55-F84 HydrophobicContact CB-CD2 4.39Å; I55-F84 HydrophobicContact CB-CE2 4.07Å; I55-E87 HydrophobicContact CB-CB 4.46Å; I55-E87 HydrophobicContact CD1-CB 3.91Å; I55-E87 HydrophobicContact CG1-CB 3.96Å; I55-V88 HydrophobicContact CD1-CG2 3.98Å; I55-L91 HydrophobicContact CD1-CB 4.39Å; I55-L91 HydrophobicContact CD1-CD2 4.08Å
56K92.9Very high96.5Very high18 Ų1817 Ų178%0.0789%0.092CC..Hα-helixtrans-63-48.1178.5-178.2-173.3-175.4176.50111.7N11 Y14 N54 A58 R60 E311N11-K56 WeakPolarHBondContact OD1-CE 3.49Å; N11-K56 PolarHBondContact OD1-NZ 3.47Å; Y14-K56 HydrophobicContact CD1-CB 4.37Å; Y14-K56 HydrophobicContact CD1-CD 4.38Å; Y14-K56 HydrophobicContact CD1-CG 3.83Å; Y14-K56 HydrophobicContact CD2-CB 4.25Å; Y14-K56 HydrophobicContact CE1-CB 4.21Å; Y14-K56 HydrophobicContact CE1-CD 3.65Å; Y14-K56 HydrophobicContact CE1-CG 3.6Å; Y14-K56 HydrophobicContact CE2-CB 4.08Å; Y14-K56 HydrophobicContact CE2-CG 4.38Å; Y14-K56 HydrophobicContact CG-CB 4.38Å; Y14-K56 HydrophobicContact CG-CG 4.31Å; N54-K56 PolarHBondContact O-N 3.45Å; N54-K56 WeakPolarHBondContact OD1-CB 3.08Å; N54-K56 PolarHBondContact OD1-N 3.37Å; K56-A58 VanDerWaalsContact C-N 3.35Å; K56-R60 WeakPolarHBondContact O-CB 3.13Å; K56-R60 WeakPolarHBondContact O-CG 3.41Å; K56-R60 PolarHBondContact O-N 3.3Å; K56-E311 WeakPolarHBondContact CD-OE1 3.3Å; K56-E311 WeakPolarHBondContact CE-OE1 3.33Å; K56-E311 IonicContact NZ-OE1 2.8Å; K56-E311 PolarHBondContact NZ-OE1 2.85Å
57Q93.6Very high96.5Very high9 Ų917.3 Ų17.34%0.0429%0.094CC..Hα-helixtrans-64.1-41.3176-72.2-168.5-79.700111.4N54 L61 E311 Y318N54-Q57 HydrophobicContact CB-CB 4.3Å; N54-Q57 HydrophobicContact CB-CG 4.45Å; N54-Q57 PolarHBondContact ND2-OE1 2.76Å; N54-Q57 PolarHBondContact O-N 3.29Å; N54-Q57 PolarHBondContact OD1-N 2.92Å; Q57-L61 VanDerWaalsContact O-CB 3.29Å; Q57-L61 WeakPolarHBondContact O-CB 3.35Å; Q57-L61 PolarHBondContact O-N 2.81Å; Q57-E311 HydrophobicContact CG-CB 4.48Å; Q57-Y318 HydrophobicContact CG-CE2 4.17Å; Q57-Y318 PolarHBondContact O-OH 3.42Å
58A95.4Very high96.4Very high5 Ų521.2 Ų21.24%0.04112%0.121CC..Hα-helixtrans-62.6-46.4177.800000112.1I51 N54 I55 K56 L61 L62I51-A58 HydrophobicContact CD1-CB 4.2Å; I51-A58 HydrophobicContact CG2-CB 4.45Å; N54-A58 PolarHBondContact O-N 3.47Å; N54-A58 VanDerWaalsContact O-N 3.11Å; I55-A58 PolarHBondContact O-N 3.27Å; K56-A58 VanDerWaalsContact C-N 3.35Å; A58-L61 PolarHBondContact O-N 3.29Å; A58-L62 WeakPolarHBondContact O-CB 3.22Å; A58-L62 PolarHBondContact O-N 2.97Å
59A95.9Very high96.4Very high0 Ų022.1 Ų22.10%013%0.125CC..Hα-helixtrans-63.8-44.317900000111.8F26 I55 L62 R63 L91F26-A59 HydrophobicContact CE1-CB 4.15Å; F26-A59 HydrophobicContact CE2-CB 4.49Å; F26-A59 HydrophobicContact CZ-CB 3.65Å; F26-A59 WeakPolarHBondContact CZ-O 2.86Å; I55-A59 VanDerWaalsContact O-CB 3.23Å; I55-A59 WeakPolarHBondContact O-CB 3.47Å; I55-A59 PolarHBondContact O-N 2.92Å; A59-L62 PolarHBondContact O-N 3.15Å; A59-R63 VanDerWaalsContact O-CB 3.28Å; A59-R63 WeakPolarHBondContact O-CB 3.24Å; A59-R63 PolarHBondContact O-N 3.18Å; A59-L91 HydrophobicContact CB-CD1 3.66Å; A59-L91 HydrophobicContact CB-CD2 4.02Å; A59-L91 HydrophobicContact CB-CG 4.5Å
60R95.8Very high96.4Very high10 Ų1021.9 Ų21.94%0.03812%0.124CC..Hα-helixtrans-65.9-42.4178.3-70.9173.374.1-177.88.1112.2K56 R63 L64 Y318 D319 E322K56-R60 WeakPolarHBondContact O-CB 3.13Å; K56-R60 WeakPolarHBondContact O-CG 3.41Å; K56-R60 PolarHBondContact O-N 3.3Å; R60-R63 PolarHBondContact O-N 2.82Å; R60-L64 WeakPolarHBondContact O-CG 3.48Å; R60-L64 PolarHBondContact O-N 2.61Å; R60-L64 VanDerWaalsContact O-N 3.14Å; R60-Y318 HydrophobicContact CB-CE1 3.96Å; R60-Y318 WeakPolarHBondContact CB-OH 3.19Å; R60-D319 IonicContact CZ-OD1 3.26Å; R60-D319 VanDerWaalsContact CZ-OD1 3.26Å; R60-D319 IonicContact NH1-OD1 2.92Å; R60-D319 PolarHBondContact NH1-OD1 3.27Å; R60-D319 IonicContact NH2-OD1 3.63Å; R60-D319 PolarHBondContact NH2-OD1 2.77Å; R60-E322 WeakPolarHBondContact CB-OE1 3.46Å; R60-E322 IonicContact CZ-OE1 3.57Å; R60-E322 IonicContact CZ-OE2 3.94Å; R60-E322 IonicContact NE-OE1 3.6Å; R60-E322 PolarHBondContact NE-OE1 2.95Å; R60-E322 IonicContact NE-OE2 3.77Å; R60-E322 PolarHBondContact NE-OE2 3.49Å; R60-E322 VanDerWaalsContact NH2-CD 3.3Å; R60-E322 IonicContact NH2-OE1 3.78Å; R60-E322 IonicContact NH2-OE2 4Å; R60-E322 PolarHBondContact NH2-OE2 3.36Å
61L97.2Very high96.4Very high0 Ų020.4 Ų20.40%011%0.111CC..Hα-helixtrans-59.7-53.1173.3171.259.8000110.8L49 Q57 A58 R63 L64 I65 V142 S143 Y318L49-L61 HydrophobicContact CD2-CD2 4.37Å; Q57-L61 VanDerWaalsContact O-CB 3.29Å; Q57-L61 WeakPolarHBondContact O-CB 3.35Å; Q57-L61 PolarHBondContact O-N 2.81Å; A58-L61 PolarHBondContact O-N 3.29Å; L61-R63 VanDerWaalsContact C-N 3.3Å; L61-R63 PolarHBondContact O-N 3.36Å; L61-L64 PolarHBondContact O-N 3.28Å; L61-L64 VanDerWaalsContact O-N 3.11Å; L61-I65 HydrophobicContact CD1-CG2 4.14Å; L61-I65 WeakPolarHBondContact O-CG1 3.38Å; L61-I65 PolarHBondContact O-N 3.46Å; L61-V142 HydrophobicContact CD1-CG1 4.18Å; L61-V142 HydrophobicContact CD2-CG1 3.8Å; L61-S143 WeakPolarHBondContact CD2-O 3.27Å; L61-Y318 PolarHBondContact N-OH 3.27Å
62L97.8Very high96.5Very high1 Ų120.1 Ų20.11%0.00511%0.11CC..Hα-helixtrans-57.9-44.9-179.4-178.259.8000111A58 A59 L64 I65 Y66 Y72 I74 L91 F95 V99A58-L62 WeakPolarHBondContact O-CB 3.22Å; A58-L62 PolarHBondContact O-N 2.97Å; A59-L62 PolarHBondContact O-N 3.15Å; L62-L64 VanDerWaalsContact C-N 3.29Å; L62-L64 PolarHBondContact O-N 3.15Å; L62-I65 HydrophobicContact CD1-CG1 4.49Å; L62-I65 PolarHBondContact O-N 3.1Å; L62-Y66 WeakPolarHBondContact O-CA 3.42Å; L62-Y66 WeakPolarHBondContact O-CB 3.43Å; L62-Y66 PolarHBondContact O-N 3.48Å; L62-Y72 HydrophobicContact CD1-CD1 3.91Å; L62-Y72 HydrophobicContact CD1-CE1 4.36Å; L62-Y72 HydrophobicContact CD1-CG 4.28Å; L62-I74 HydrophobicContact CD2-CD1 4.14Å; L62-L91 HydrophobicContact CD2-CD1 4.36Å; L62-L91 HydrophobicContact CD2-CD2 4.05Å; L62-L91 HydrophobicContact CD2-CG 3.91Å; L62-F95 HydrophobicContact CB-CE2 4.39Å; L62-F95 HydrophobicContact CD2-CD2 3.36Å; L62-F95 HydrophobicContact CD2-CE2 3.67Å; L62-F95 HydrophobicContact CD2-CG 4.02Å; L62-F95 HydrophobicContact CG-CD2 3.88Å; L62-F95 HydrophobicContact CG-CE2 3.85Å; L62-F95 HydrophobicContact CG-CG 4.31Å; L62-F95 HydrophobicContact CG-CZ 4.23Å; L62-V99 HydrophobicContact CD2-CG1 4.14Å
63R97.4Very high96.7Very high29 Ų2916.1 Ų16.111%0.1099%0.091CC..Hα-helixtrans-53.7-43.7175.4176.9173.570.3164.53.1113F26 F29 A59 R60 L61 F95 E322 M326F26-R63 HydrophobicContact CE1-CB 3.91Å; F26-R63 HydrophobicContact CE1-CG 4.43Å; F26-R63 HydrophobicContact CZ-CB 4.04Å; F26-R63 WeakPolarHBondContact O-CD 3.36Å; F26-R63 PolarHBondContact O-NH1 3.19Å; F26-R63 VanDerWaalsContact O-NH1 3.17Å; F29-R63 HydrophobicContact CE1-CG 3.89Å; F29-R63 WeakPolarHBondContact CE1-O 3.45Å; A59-R63 VanDerWaalsContact O-CB 3.28Å; A59-R63 WeakPolarHBondContact O-CB 3.24Å; A59-R63 PolarHBondContact O-N 3.18Å; R60-R63 PolarHBondContact O-N 2.82Å; L61-R63 VanDerWaalsContact C-N 3.3Å; L61-R63 PolarHBondContact O-N 3.36Å; R63-F95 HydrophobicContact CB-CZ 4.04Å; R63-E322 IonicContact CZ-OE1 3.22Å; R63-E322 IonicContact NE-OE1 3.75Å; R63-E322 IonicContact NH2-OE1 3.63Å; R63-E322 PolarHBondContact NH2-OE1 3.35Å; R63-E322 IonicContact NH2-OE2 2.71Å; R63-E322 PolarHBondContact NH2-OE2 3.25Å; R63-M326 HydrophobicContact CG-CE 4.48Å; R63-M326 VanDerWaalsContact NE-CE 3.33Å; R63-M326 VanDerWaalsContact NH2-CE 3.3Å
64L98Very high96.9Very high5 Ų515 Ų153%0.0268%0.079CC..Hα-helixtrans-68.3-39.2-178.2-73.8173.5000112.9F29 R60 L61 L62 L147 P148 E322 I325 M326F29-L64 HydrophobicContact CE2-CD2 4.43Å; F29-L64 HydrophobicContact CZ-CD2 4.16Å; R60-L64 WeakPolarHBondContact O-CG 3.48Å; R60-L64 PolarHBondContact O-N 2.61Å; R60-L64 VanDerWaalsContact O-N 3.14Å; L61-L64 PolarHBondContact O-N 3.28Å; L61-L64 VanDerWaalsContact O-N 3.11Å; L62-L64 VanDerWaalsContact C-N 3.29Å; L62-L64 PolarHBondContact O-N 3.15Å; L64-L147 HydrophobicContact CD1-CD2 3.48Å; L64-L147 VanDerWaalsContact CD1-CD2 3.48Å; L64-P148 HydrophobicContact CB-CG 3.91Å; L64-P148 HydrophobicContact CD1-CG 4.09Å; L64-E322 HydrophobicContact CD1-CB 4.16Å; L64-E322 HydrophobicContact CD1-CG 3.98Å; L64-E322 HydrophobicContact CD2-CG 4Å; L64-E322 HydrophobicContact CG-CG 4.27Å; L64-I325 HydrophobicContact CD2-CB 4.33Å; L64-I325 HydrophobicContact CD2-CG2 4.08Å; L64-M326 HydrophobicContact CD2-CE 3.99Å; L64-M326 HydrophobicContact CD2-CG 3.73Å
65I98.4Very high97.2Very high8 Ų812.6 Ų12.64%0.0417%0.066CC..Hα-helixtrans-92.3-13-175.368.2172.7000113.5F47 L49 L61 L62 Y72 P148 F305F47-I65 HydrophobicContact CB-CD1 4.45Å; F47-I65 HydrophobicContact CD1-CD1 4.07Å; F47-I65 HydrophobicContact CG-CD1 4.16Å; L49-I65 HydrophobicContact CD1-CD1 4.31Å; L49-I65 HydrophobicContact CD2-CD1 4.25Å; L61-I65 HydrophobicContact CD1-CG2 4.14Å; L61-I65 WeakPolarHBondContact O-CG1 3.38Å; L61-I65 PolarHBondContact O-N 3.46Å; L62-I65 HydrophobicContact CD1-CG1 4.49Å; L62-I65 PolarHBondContact O-N 3.1Å; I65-Y72 HydrophobicContact CD1-CD1 4.19Å; I65-Y72 HydrophobicContact CD1-CE1 3.97Å; I65-Y72 HydrophobicContact CG1-CD1 4.48Å; I65-Y72 HydrophobicContact CG1-CE1 3.88Å; I65-Y72 PolarHBondContact O-OH 3.21Å; I65-P148 HydrophobicContact CG2-CB 4.35Å; I65-P148 HydrophobicContact CG2-CG 4.06Å; I65-F305 HydrophobicContact CG2-CE1 4.02Å; I65-F305 HydrophobicContact CG2-CZ 4.32Å
66Y98.6Very high97.4Very high42 Ų4211.6 Ų11.617%0.1656%0.061CC..  trans-67.1134.3-172.8177.9-94.2000112.6L62 Y72 F95 N98 V99L62-Y66 WeakPolarHBondContact O-CA 3.42Å; L62-Y66 WeakPolarHBondContact O-CB 3.43Å; L62-Y66 PolarHBondContact O-N 3.48Å; Y66-Y72 WeakPolarHBondContact CA-OH 3.49Å; Y66-Y72 HydrophobicContact CD2-CD2 4.29Å; Y66-Y72 AromaticContact CD2-CE2 3.83Å; Y66-Y72 HydrophobicContact CD2-CE2 3.83Å; Y66-Y72 HydrophobicContact CE2-CE2 4.25Å; Y66-F95 AromaticContact CD1-CD1 3.56Å; Y66-F95 HydrophobicContact CD1-CD1 3.56Å; Y66-F95 AromaticContact CD1-CE1 3.87Å; Y66-F95 HydrophobicContact CD1-CE1 3.87Å; Y66-F95 HydrophobicContact CD2-CB 3.96Å; Y66-F95 AromaticContact CD2-CD1 3.38Å; Y66-F95 HydrophobicContact CD2-CD1 3.38Å; Y66-F95 HydrophobicContact CD2-CE1 4.16Å; Y66-F95 AromaticContact CD2-CG 3.95Å; Y66-F95 HydrophobicContact CD2-CG 3.95Å; Y66-F95 AromaticContact CE1-CD1 3.95Å; Y66-F95 HydrophobicContact CE1-CD1 3.95Å; Y66-F95 HydrophobicContact CE2-CB 3.76Å; Y66-F95 AromaticContact CE2-CD1 3.78Å; Y66-F95 HydrophobicContact CE2-CD1 3.78Å; Y66-F95 HydrophobicContact CE2-CG 4.19Å; Y66-F95 AromaticContact CG-CD1 3.25Å; Y66-F95 HydrophobicContact CG-CD1 3.25Å; Y66-F95 AromaticContact CG-CE1 3.61Å; Y66-F95 HydrophobicContact CG-CE1 3.61Å; Y66-F95 HydrophobicContact CG-CG 4.24Å; Y66-F95 PolarHBondContact OH-O 3.34Å; Y66-N98 WeakPolarHBondContact CE2-ND2 3.37Å; Y66-N98 WeakPolarHBondContact CE2-OD1 3.28Å; Y66-N98 PolarHBondContact OH-OD1 2.8Å; Y66-N98 VanDerWaalsContact OH-OD1 3.09Å; Y66-V99 HydrophobicContact CD2-CG2 3.94Å; Y66-V99 HydrophobicContact CE2-CG2 3.77Å
67R98.2Very high97.7Very high7 Ų711.4 Ų11.43%0.0266%0.061CC..  trans-143.6145.4164.1-60.7-63.3-173.8-94.65.5108.8V34 S36 E40 H69 N70 Y72 N98 N152V34-R67 VanDerWaalsContact CG1-CZ 3.48Å; S36-R67 WeakPolarHBondContact OG-CD 3.03Å; E40-R67 IonicContact OE1-NE 3.43Å; R67-H69 VanDerWaalsContact C-N 3.25Å; R67-H69 VanDerWaalsContact CB-CE1 3.45Å; R67-H69 WeakPolarHBondContact CB-CE1 3.03Å; R67-H69 PolarHBondContact O-N 2.9Å; R67-N70 HydrophobicContact CB-CB 4.33Å; R67-N70 PolarHBondContact O-N 3.31Å; R67-Y72 PolarHBondContact N-OH 2.7Å; R67-N98 PolarHBondContact O-ND2 2.85Å; R67-N152 HydrophobicContact CG-CB 3.97Å
68S97.5Very high97.9Very high81 Ų8112.7 Ų12.757%0.5667%0.071SC*.THydrogen-bonded Turntrans-66.8-24.1-177.154.60000114.4N98S68-N98 PolarHBondContact O-ND2 3.29Å
69H98.1Very high98Very high22 Ų2218 Ų1810%0.1029%0.093CC..THydrogen-bonded Turntrans-87.9-8.217859.1-90.3000113.3S36 E40 P44 R67 I134S36-H69 VanDerWaalsContact CB-CE1 3.44Å; S36-H69 WeakPolarHBondContact CB-CE1 3.35Å; S36-H69 PolarHBondContact OG-CE1 2.05Å; S36-H69 VanDerWaalsContact OG-CE1 3.26Å; E40-H69 PolarHBondContact O-CD2 2.79Å; E40-H69 VanDerWaalsContact O-CD2 3.23Å; E40-H69 PolarHBondContact O-NE2 2.95Å; P44-H69 VanDerWaalsContact CB-O 3.26Å; P44-H69 WeakPolarHBondContact CB-O 3.44Å; R67-H69 VanDerWaalsContact C-N 3.25Å; R67-H69 VanDerWaalsContact CB-CE1 3.45Å; R67-H69 WeakPolarHBondContact CB-CE1 3.03Å; R67-H69 PolarHBondContact O-N 2.9Å; H69-I134 WeakPolarHBondContact O-CG2 3.46Å
70N98.8Very high98.1Very high0 Ų018.2 Ų18.20%010%0.095CC..SBendtrans-92.7168.6176.8-73.6-15.6000111.1L45 F47 R67 Y72 N98 I134 N152L45-N70 PolarHBondContact N-OD1 2.66Å; L45-N70 CarbonylContact O-C 3.59Å; L45-N70 VanDerWaalsContact O-CA 3.28Å; L45-N70 WeakPolarHBondContact O-CA 3.31Å; L45-N70 VanDerWaalsContact O-CB 3.24Å; L45-N70 WeakPolarHBondContact O-CB 3.45Å; F47-N70 HydrophobicContact CE2-CB 4.48Å; R67-N70 HydrophobicContact CB-CB 4.33Å; R67-N70 PolarHBondContact O-N 3.31Å; N70-Y72 HydrophobicContact CB-CE2 3.6Å; N70-Y72 WeakPolarHBondContact CB-OH 3.46Å; N70-Y72 PolarHBondContact ND2-OH 3.38Å; N70-N98 WeakPolarHBondContact O-CB 3.48Å; N70-N98 PolarHBondContact O-ND2 3.08Å; N70-I134 WeakPolarHBondContact O-CD1 3.37Å; N70-N152 PolarHBondContact ND2-OD1 3.06Å
71L98.8Very high98.1Very high1 Ų122 Ų221%0.00512%0.12CC..EExtended strand (participates in β ladder)trans-121.9139.2179.6-164.568000111.3L45 A46 F47 N98 M100 L128 N131 I134L45-L71 PolarHBondContact O-N 2.75Å; A46-L71 CarbonylContact C-O 3.55Å; A46-L71 WeakPolarHBondContact CA-O 3.4Å; F47-L71 PolarHBondContact N-O 2.55Å; L71-N98 HydrophobicContact CD1-CB 4.4Å; L71-M100 HydrophobicContact CD1-CE 4.38Å; L71-L128 HydrophobicContact CB-CD2 4.09Å; L71-L128 HydrophobicContact CD2-CB 4.26Å; L71-L128 HydrophobicContact CD2-CD2 3.42Å; L71-L128 VanDerWaalsContact CD2-CD2 3.42Å; L71-L128 HydrophobicContact CD2-CG 4.45Å; L71-L128 HydrophobicContact CG-CD2 3.43Å; L71-L128 VanDerWaalsContact CG-CD2 3.43Å; L71-N131 HydrophobicContact CD2-CB 3.49Å; L71-N131 VanDerWaalsContact CD2-CB 3.49Å; L71-I134 HydrophobicContact CB-CG2 4.23Å; L71-I134 HydrophobicContact CD1-CD1 4.21Å
72Y98.9Very high98.1Very high0 Ų028.7 Ų28.70%015%0.146CC..EExtended strand (participates in β ladder)trans-133126.9-174.2-53.6-97.4000110.3F47 L49 L62 I65 Y66 R67 N70 N98 V99 M100F47-Y72 HydrophobicContact CB-CD1 3.73Å; F47-Y72 HydrophobicContact CB-CE1 4.14Å; F47-Y72 AromaticContact CD2-CD1 3.72Å; F47-Y72 HydrophobicContact CD2-CD1 3.72Å; F47-Y72 AromaticContact CD2-CE1 3.26Å; F47-Y72 HydrophobicContact CD2-CE1 3.26Å; F47-Y72 AromaticContact CD2-CZ 3.89Å; F47-Y72 AromaticContact CE2-CE1 3.85Å; F47-Y72 HydrophobicContact CE2-CE1 3.85Å; F47-Y72 HydrophobicContact CG-CD1 4Å; F47-Y72 AromaticContact CG-CE1 3.87Å; F47-Y72 HydrophobicContact CG-CE1 3.87Å; F47-Y72 WeakPolarHBondContact O-CA 3.32Å; L49-Y72 HydrophobicContact CD1-CD1 4.24Å; L62-Y72 HydrophobicContact CD1-CD1 3.91Å; L62-Y72 HydrophobicContact CD1-CE1 4.36Å; L62-Y72 HydrophobicContact CD1-CG 4.28Å; I65-Y72 HydrophobicContact CD1-CD1 4.19Å; I65-Y72 HydrophobicContact CD1-CE1 3.97Å; I65-Y72 HydrophobicContact CG1-CD1 4.48Å; I65-Y72 HydrophobicContact CG1-CE1 3.88Å; I65-Y72 PolarHBondContact O-OH 3.21Å; Y66-Y72 WeakPolarHBondContact CA-OH 3.49Å; Y66-Y72 HydrophobicContact CD2-CD2 4.29Å; Y66-Y72 AromaticContact CD2-CE2 3.83Å; Y66-Y72 HydrophobicContact CD2-CE2 3.83Å; Y66-Y72 HydrophobicContact CE2-CE2 4.25Å; R67-Y72 PolarHBondContact N-OH 2.7Å; N70-Y72 HydrophobicContact CB-CE2 3.6Å; N70-Y72 WeakPolarHBondContact CB-OH 3.46Å; N70-Y72 PolarHBondContact ND2-OH 3.38Å; Y72-N98 PolarHBondContact N-O 2.77Å; Y72-V99 HydrophobicContact CD2-CG2 3.81Å; Y72-V99 HydrophobicContact CG-CG2 4.15Å; Y72-M100 VanDerWaalsContact O-CG 3.3Å; Y72-M100 WeakPolarHBondContact O-CG 3.39Å; Y72-M100 PolarHBondContact O-N 3.4Å
73C98.9Very high98Very high0 Ų031.8 Ų31.80%017%0.171CC..EExtended strand (participates in β ladder)trans-111.9122.6168.7175.20000109.3F47 S48 L49 M100 C124 L128F47-C73 PolarHBondContact O-N 2.99Å; S48-C73 CarbonylContact C-O 3.53Å; L49-C73 PolarHBondContact N-O 2.96Å; C73-M100 CarbonylContact C-O 3.58Å; C73-M100 HydrophobicContact CB-CG 3.94Å; C73-M100 HydrophobicContact CB-SD 4.22Å; C73-C124 HydrophobicContact CB-CB 3.63Å; C73-C124 WeakPolarHBondContact CB-SG 3.49Å; C73-C124 WeakPolarHBondContact SG-CA 3.27Å; C73-C124 WeakPolarHBondContact SG-CB 3.04Å; C73-C124 CovalentContact SG-SG 2.05Å; C73-C124 PolarHBondContact SG-SG 3.42Å; C73-L128 HydrophobicContact CB-CD1 3.78Å; C73-L128 HydrophobicContact CB-CD2 3.84Å; C73-L128 HydrophobicContact CB-CG 3.76Å
74I98.8Very high98Very high3 Ų331 Ų312%0.01517%0.169CC..EExtended strand (participates in β ladder)trans-107.6116.2178.1-53.1178.7000108.8L49 I51 L62 V76 V88 V99 M100 V101 V102L49-I74 HydrophobicContact CB-CG1 4.23Å; L49-I74 HydrophobicContact CB-CG2 4.44Å; I51-I74 HydrophobicContact CD1-CG2 3.42Å; I51-I74 VanDerWaalsContact CD1-CG2 3.42Å; I51-I74 HydrophobicContact CG1-CG2 3.78Å; L62-I74 HydrophobicContact CD2-CD1 4.14Å; I74-V76 HydrophobicContact CG2-CG2 4.42Å; I74-V88 HydrophobicContact CD1-CG1 4.44Å; I74-V88 HydrophobicContact CG2-CG1 3.76Å; I74-V99 HydrophobicContact CD1-CG1 3.61Å; I74-V99 HydrophobicContact CG1-CG1 4.2Å; I74-M100 PolarHBondContact N-O 3.32Å; I74-V101 HydrophobicContact CB-CG2 4.37Å; I74-V101 CarbonylContact O-C 3.55Å; I74-V101 WeakPolarHBondContact O-CA 3.49Å; I74-V102 PolarHBondContact O-N 3.12Å
75H98.7Very high98Very high1 Ų131.3 Ų31.31%0.00517%0.17CC..EExtended strand (participates in β ladder)trans-94.8122.9166.8178.4-85.4000110L49 I51 V102 V108 V120L49-H75 PolarHBondContact O-N 3.01Å; I51-H75 WeakPolarHBondContact CG1-O 3.48Å; I51-H75 PolarHBondContact N-O 3.3Å; H75-V102 HydrophobicContact CB-CG2 4.23Å; H75-V108 PolarHBondContact CE1-O 2.73Å; H75-V108 PolarHBondContact NE2-N 3.33Å; H75-V120 HydrophobicContact CB-CG1 3.57Å; H75-V120 WeakPolarHBondContact CE1-CG2 3.46Å; H75-V120 VanDerWaalsContact CG-CG1 3.49Å
76V98.6Very high97.9Very high2 Ų233.7 Ų33.71%0.01218%0.182CC..EExtended strand (participates in β ladder)trans-101.1122.5170.61790000108.1I51 I74 S78 F84 Y85 V88 V101 S107I51-V76 HydrophobicContact CD1-CG2 3.98Å; I51-V76 HydrophobicContact CG1-CG2 3.92Å; I51-V76 CarbonylContact O-C 3.59Å; I51-V76 WeakPolarHBondContact O-CA 3.3Å; I74-V76 HydrophobicContact CG2-CG2 4.42Å; V76-S78 PolarHBondContact O-N 2.85Å; V76-F84 HydrophobicContact CG1-CD1 3.74Å; V76-F84 HydrophobicContact CG1-CE1 3.85Å; V76-Y85 HydrophobicContact CB-CD2 3.94Å; V76-Y85 HydrophobicContact CG1-CD2 4.19Å; V76-Y85 HydrophobicContact CG2-CD2 4.16Å; V76-V88 HydrophobicContact CG2-CB 3.91Å; V76-V88 HydrophobicContact CG2-CG1 3.67Å; V76-V88 HydrophobicContact CG2-CG2 3.97Å; V76-V101 HydrophobicContact CG2-CG1 4.28Å; V76-S107 PolarHBondContact O-OG 3.12Å
77D98.4Very high97.7Very high14 Ų1435.6 Ų35.68%0.07519%0.193CC..PPolyproline II helixtrans-50.1133.4177.9-171.6-32.5000111.2I51 H52 K79 S80 V110I51-D77 PolarHBondContact O-N 2.74Å; H52-D77 HydrophobicContact CB-CB 3.87Å; D77-K79 PolarHBondContact O-N 3.14Å; D77-K79 VanDerWaalsContact O-N 3.11Å; D77-K79 WeakPolarHBondContact OD1-CB 3.46Å; D77-K79 WeakPolarHBondContact OD1-CE 3.43Å; D77-K79 PolarHBondContact OD1-N 2.88Å; D77-K79 WeakPolarHBondContact OD2-CE 3.34Å; D77-K79 IonicContact OD2-NZ 2.68Å; D77-S80 VanDerWaalsContact O-CB 3.26Å; D77-S80 WeakPolarHBondContact O-CB 3.19Å; D77-S80 PolarHBondContact O-N 2.98Å; D77-S80 PolarHBondContact O-OG 3.45Å; D77-V110 HydrophobicContact CB-CG2 4.31Å; D77-V110 PolarHBondContact OD1-N 3.32Å; D77-V110 WeakPolarHBondContact OD2-CB 3.21Å
78S97.9Very high97.7Very high36 Ų3635.3 Ų35.325%0.25219%0.192SC..THydrogen-bonded Turntrans-64.6-19.7-176.368.20000113.1V76 R104 S107 V108 N109V76-S78 PolarHBondContact O-N 2.85Å; S78-R104 PolarHBondContact O-NH2 3.49Å; S78-S107 VanDerWaalsContact CA-OG 3.29Å; S78-S107 WeakPolarHBondContact CA-OG 3.38Å; S78-S107 WeakPolarHBondContact CB-OG 3.37Å; S78-S107 PolarHBondContact N-OG 2.86Å; S78-V108 PolarHBondContact N-O 3.48Å; S78-V108 VanDerWaalsContact N-O 3.12Å; S78-V108 PolarHBondContact OG-O 3.3Å; S78-N109 WeakPolarHBondContact OG-CA 3.42Å; S78-N109 WeakPolarHBondContact OG-CB 3.33Å; S78-N109 PolarHBondContact OG-N 2.76Å; S78-N109 VanDerWaalsContact OG-N 3.09Å
79K97.3Very high97.7Very high115 Ų11533.6 Ų33.650%0.518%0.175SC..THydrogen-bonded Turntrans-77.5-17.5172.2-65175.6-72.4-174.60113.8D77 N109 V110D77-K79 PolarHBondContact O-N 3.14Å; D77-K79 VanDerWaalsContact O-N 3.11Å; D77-K79 WeakPolarHBondContact OD1-CB 3.46Å; D77-K79 WeakPolarHBondContact OD1-CE 3.43Å; D77-K79 PolarHBondContact OD1-N 2.88Å; D77-K79 WeakPolarHBondContact OD2-CE 3.34Å; D77-K79 IonicContact OD2-NZ 2.68Å; K79-N109 WeakPolarHBondContact CD-OD1 3.48Å; K79-N109 WeakPolarHBondContact CE-OD1 3.5Å; K79-N109 PolarHBondContact NZ-OD1 3.42Å; K79-V110 PolarHBondContact NZ-O 3.41Å
80S97.5Very high97.6Very high6 Ų635.9 Ų35.94%0.04219%0.186CC..SBendtrans-64.6144.7179.2-62.90000110.5H52 D77 R104H52-S80 VanDerWaalsContact CA-OG 3.3Å; H52-S80 WeakPolarHBondContact CA-OG 3.4Å; H52-S80 PolarHBondContact O-OG 2.88Å; D77-S80 VanDerWaalsContact O-CB 3.26Å; D77-S80 WeakPolarHBondContact O-CB 3.19Å; D77-S80 PolarHBondContact O-N 2.98Å; D77-S80 PolarHBondContact O-OG 3.45Å; S80-R104 PolarHBondContact O-NH1 2.88Å; S80-R104 VanDerWaalsContact O-NH1 3.14Å; S80-R104 PolarHBondContact O-NH2 2.68Å
81P97.6Very high97.5Very high89 Ų8936 Ų3658%0.57819%0.186SC*.  trans-52.6150.9178.2-26.735000112.5A83 F84 Y85P81-A83 VanDerWaalsContact C-N 3.29Å; P81-A83 PolarHBondContact O-N 3.44Å; P81-F84 PolarHBondContact O-N 3.46Å; P81-Y85 PolarHBondContact O-N 2.88Å
82R96.9Very high97.4Very high141 Ų14136.2 Ų36.253%0.53219%0.188SC..Hα-helixtrans-58.8-42.9178.3179.161-162.9-138.78.1111.8F84 Y85 D86R82-F84 VanDerWaalsContact C-N 3.29Å; R82-F84 PolarHBondContact O-N 3.14Å; R82-Y85 WeakPolarHBondContact O-CB 3.31Å; R82-Y85 PolarHBondContact O-N 3.36Å; R82-D86 WeakPolarHBondContact CG-OD2 3.43Å; R82-D86 IonicContact CZ-OD1 3.35Å; R82-D86 IonicContact NE-OD1 2.95Å; R82-D86 PolarHBondContact NE-OD1 3.29Å; R82-D86 IonicContact NE-OD2 3.18Å; R82-D86 PolarHBondContact NE-OD2 3.21Å; R82-D86 IonicContact NH2-OD1 2.89Å; R82-D86 PolarHBondContact NH2-OD1 3.32Å; R82-D86 PolarHBondContact O-N 3.47Å
83A96Very high97.3Very high66 Ų6644.3 Ų44.355%0.54522%0.219SC..Hα-helixtrans-53.4-44.3175.800000112.6P81 Y85 D86 E87P81-A83 VanDerWaalsContact C-N 3.29Å; P81-A83 PolarHBondContact O-N 3.44Å; A83-Y85 VanDerWaalsContact C-N 3.33Å; A83-Y85 PolarHBondContact O-N 2.72Å; A83-D86 PolarHBondContact O-N 3.49Å; A83-D86 VanDerWaalsContact O-N 3.16Å; A83-E87 WeakPolarHBondContact O-CG 3.36Å; A83-E87 PolarHBondContact O-N 2.91Å
84F96.3Very high97.2Very high13 Ų1345 Ų456%0.05722%0.223CC..Hα-helixtrans-63.3-38.7177.8178.8-108000112.6I51 G53 I55 V76 P81 R82 D86 E87 V88I51-F84 HydrophobicContact CD1-CE1 4.29Å; I51-F84 HydrophobicContact CD1-CZ 4.07Å; I51-F84 HydrophobicContact CG1-CE1 4.28Å; I51-F84 HydrophobicContact CG1-CZ 4.38Å; G53-F84 VanDerWaalsContact C-CE2 3.42Å; G53-F84 VanDerWaalsContact N-CE1 3.32Å; I55-F84 HydrophobicContact CB-CD2 4.39Å; I55-F84 HydrophobicContact CB-CE2 4.07Å; V76-F84 HydrophobicContact CG1-CD1 3.74Å; V76-F84 HydrophobicContact CG1-CE1 3.85Å; P81-F84 PolarHBondContact O-N 3.46Å; R82-F84 VanDerWaalsContact C-N 3.29Å; R82-F84 PolarHBondContact O-N 3.14Å; F84-D86 VanDerWaalsContact C-N 3.34Å; F84-E87 WeakPolarHBondContact CA-OE2 3.27Å; F84-E87 PolarHBondContact O-N 3Å; F84-V88 HydrophobicContact CD1-CG2 4.48Å; F84-V88 HydrophobicContact CE1-CG2 4.04Å; F84-V88 HydrophobicContact CE2-CG2 4.13Å; F84-V88 HydrophobicContact CZ-CG2 3.85Å; F84-V88 VanDerWaalsContact O-CG2 3.29Å; F84-V88 WeakPolarHBondContact O-CG2 3.37Å; F84-V88 PolarHBondContact O-N 3.46Å; F84-V88 VanDerWaalsContact O-N 3.08Å
85Y97.8Very high97.1Very high11 Ų1145 Ų454%0.04322%0.224CC..Hα-helixtrans-63.5-42.6174.2175.9-83.6000111.5V76 P81 R82 A83 V88 M89 V101 V102 N103 R104V76-Y85 HydrophobicContact CB-CD2 3.94Å; V76-Y85 HydrophobicContact CG1-CD2 4.19Å; V76-Y85 HydrophobicContact CG2-CD2 4.16Å; P81-Y85 PolarHBondContact O-N 2.88Å; R82-Y85 WeakPolarHBondContact O-CB 3.31Å; R82-Y85 PolarHBondContact O-N 3.36Å; A83-Y85 VanDerWaalsContact C-N 3.33Å; A83-Y85 PolarHBondContact O-N 2.72Å; Y85-V88 PolarHBondContact O-N 3.37Å; Y85-M89 HydrophobicContact CD1-CG 3.91Å; Y85-M89 HydrophobicContact CE1-CG 3.46Å; Y85-M89 VanDerWaalsContact CE1-CG 3.46Å; Y85-M89 HydrophobicContact CE1-SD 3.91Å; Y85-M89 WeakPolarHBondContact O-CG 3.29Å; Y85-M89 PolarHBondContact O-N 2.95Å; Y85-V101 HydrophobicContact CE2-CG1 3.98Å; Y85-V102 WeakPolarHBondContact CE2-O 3.19Å; Y85-V102 PolarHBondContact OH-O 3.15Å; Y85-N103 WeakPolarHBondContact OH-CA 3.44Å; Y85-R104 VanDerWaalsContact CB-NH1 3.33Å; Y85-R104 HydrophobicContact CD2-CB 4.4Å; Y85-R104 HydrophobicContact CE1-CB 4.22Å; Y85-R104 HydrophobicContact CE2-CB 3.92Å; Y85-R104 PolarHBondContact OH-N 3.5Å; Y85-R104 VanDerWaalsContact OH-N 3.14Å
86D96.2Very high97Very high57 Ų5746.5 Ų46.531%0.30524%0.239SC..Hα-helixtrans-66.2-39179.3-61.1-37.5000111.2R82 A83 F84 V88 M89 E90R82-D86 WeakPolarHBondContact CG-OD2 3.43Å; R82-D86 IonicContact CZ-OD1 3.35Å; R82-D86 IonicContact NE-OD1 2.95Å; R82-D86 PolarHBondContact NE-OD1 3.29Å; R82-D86 IonicContact NE-OD2 3.18Å; R82-D86 PolarHBondContact NE-OD2 3.21Å; R82-D86 IonicContact NH2-OD1 2.89Å; R82-D86 PolarHBondContact NH2-OD1 3.32Å; R82-D86 PolarHBondContact O-N 3.47Å; A83-D86 PolarHBondContact O-N 3.49Å; A83-D86 VanDerWaalsContact O-N 3.16Å; F84-D86 VanDerWaalsContact C-N 3.34Å; D86-V88 VanDerWaalsContact C-N 3.32Å; D86-V88 PolarHBondContact O-N 3.02Å; D86-M89 WeakPolarHBondContact O-CB 3.5Å; D86-M89 PolarHBondContact O-N 3.42Å; D86-M89 VanDerWaalsContact O-N 3.16Å; D86-E90 WeakPolarHBondContact O-CG 3.15Å; D86-E90 PolarHBondContact O-N 3.09Å
87E95.8Very high96.8Very high83 Ų8351.6 Ų51.639%0.38827%0.274SS..Hα-helixtrans-59-40.7171.3-70.8177.3123.300112.4I55 A83 F84 E90 L91I55-E87 HydrophobicContact CB-CB 4.46Å; I55-E87 HydrophobicContact CD1-CB 3.91Å; I55-E87 HydrophobicContact CG1-CB 3.96Å; A83-E87 WeakPolarHBondContact O-CG 3.36Å; A83-E87 PolarHBondContact O-N 2.91Å; F84-E87 WeakPolarHBondContact CA-OE2 3.27Å; F84-E87 PolarHBondContact O-N 3Å; E87-E90 PolarHBondContact O-N 3.27Å; E87-L91 WeakPolarHBondContact O-CB 3.15Å; E87-L91 PolarHBondContact O-N 3.24Å
88V97.1Very high96.8Very high0 Ų051.5 Ų51.50%027%0.274CS..Hα-helixtrans-68.1-36.5176.41720000111.5I51 I55 I74 V76 F84 Y85 D86 E90 L91 A92 V101I51-V88 HydrophobicContact CD1-CB 4.31Å; I51-V88 HydrophobicContact CD1-CG1 3.84Å; I51-V88 HydrophobicContact CD1-CG2 3.45Å; I51-V88 VanDerWaalsContact CD1-CG2 3.45Å; I55-V88 HydrophobicContact CD1-CG2 3.98Å; I74-V88 HydrophobicContact CD1-CG1 4.44Å; I74-V88 HydrophobicContact CG2-CG1 3.76Å; V76-V88 HydrophobicContact CG2-CB 3.91Å; V76-V88 HydrophobicContact CG2-CG1 3.67Å; V76-V88 HydrophobicContact CG2-CG2 3.97Å; F84-V88 HydrophobicContact CD1-CG2 4.48Å; F84-V88 HydrophobicContact CE1-CG2 4.04Å; F84-V88 HydrophobicContact CE2-CG2 4.13Å; F84-V88 HydrophobicContact CZ-CG2 3.85Å; F84-V88 VanDerWaalsContact O-CG2 3.29Å; F84-V88 WeakPolarHBondContact O-CG2 3.37Å; F84-V88 PolarHBondContact O-N 3.46Å; F84-V88 VanDerWaalsContact O-N 3.08Å; Y85-V88 PolarHBondContact O-N 3.37Å; D86-V88 VanDerWaalsContact C-N 3.32Å; D86-V88 PolarHBondContact O-N 3.02Å; V88-E90 VanDerWaalsContact C-N 3.35Å; V88-L91 WeakPolarHBondContact O-CB 3.35Å; V88-L91 PolarHBondContact O-N 3.27Å; V88-A92 WeakPolarHBondContact O-CB 3.49Å; V88-A92 PolarHBondContact O-N 3.43Å; V88-V101 HydrophobicContact CG1-CG1 4.15Å; V88-V101 HydrophobicContact CG1-CG2 3.98Å
89M97Very high96.9Very high45 Ų4550.2 Ų50.222%0.22227%0.265CS..Hα-helixtrans-62.9-42.4173.7-70.7-67.9-60.500111.4Y85 D86 A92 R93 V101Y85-M89 HydrophobicContact CD1-CG 3.91Å; Y85-M89 HydrophobicContact CE1-CG 3.46Å; Y85-M89 VanDerWaalsContact CE1-CG 3.46Å; Y85-M89 HydrophobicContact CE1-SD 3.91Å; Y85-M89 WeakPolarHBondContact O-CG 3.29Å; Y85-M89 PolarHBondContact O-N 2.95Å; D86-M89 WeakPolarHBondContact O-CB 3.5Å; D86-M89 PolarHBondContact O-N 3.42Å; D86-M89 VanDerWaalsContact O-N 3.16Å; M89-A92 PolarHBondContact O-N 3.09Å; M89-R93 WeakPolarHBondContact O-CG 3.34Å; M89-R93 PolarHBondContact O-N 3.44Å; M89-V101 HydrophobicContact SD-CB 3.54Å; M89-V101 VanDerWaalsContact SD-CB 3.54Å; M89-V101 HydrophobicContact SD-CG1 3.8Å; M89-V101 HydrophobicContact SD-CG2 3.87Å
90E95.7Very high96.9Very high70 Ų7047 Ų4733%0.32725%0.252SS..Hα-helixtrans-63.7-43.4175.2-68.5177176.600111.8T18 D86 E87 V88 A92 R93 C94T18-E90 HydrophobicContact CG2-CB 4.03Å; T18-E90 HydrophobicContact CG2-CG 3.6Å; D86-E90 WeakPolarHBondContact O-CG 3.15Å; D86-E90 PolarHBondContact O-N 3.09Å; E87-E90 PolarHBondContact O-N 3.27Å; V88-E90 VanDerWaalsContact C-N 3.35Å; E90-A92 PolarHBondContact O-N 3.14Å; E90-R93 PolarHBondContact O-N 2.93Å; E90-C94 PolarHBondContact O-N 3.37Å
91L96.5Very high97Very high2 Ų247.6 Ų47.61%0.0126%0.255CS..Hα-helixtrans-56.9-48.7173.3176.366.5000111.5L17 F26 I55 A59 L62 E87 V88 R93 C94 F95L17-L91 HydrophobicContact CD1-CD1 3.58Å; F26-L91 HydrophobicContact CE1-CD1 4.48Å; I55-L91 HydrophobicContact CD1-CB 4.39Å; I55-L91 HydrophobicContact CD1-CD2 4.08Å; A59-L91 HydrophobicContact CB-CD1 3.66Å; A59-L91 HydrophobicContact CB-CD2 4.02Å; A59-L91 HydrophobicContact CB-CG 4.5Å; L62-L91 HydrophobicContact CD2-CD1 4.36Å; L62-L91 HydrophobicContact CD2-CD2 4.05Å; L62-L91 HydrophobicContact CD2-CG 3.91Å; E87-L91 WeakPolarHBondContact O-CB 3.15Å; E87-L91 PolarHBondContact O-N 3.24Å; V88-L91 WeakPolarHBondContact O-CB 3.35Å; V88-L91 PolarHBondContact O-N 3.27Å; L91-R93 PolarHBondContact O-N 3.36Å; L91-C94 WeakPolarHBondContact O-CB 3.43Å; L91-C94 PolarHBondContact O-N 2.97Å; L91-F95 HydrophobicContact CD1-CD2 4Å; L91-F95 HydrophobicContact CD1-CE2 3.65Å; L91-F95 HydrophobicContact CG-CD2 4.43Å; L91-F95 HydrophobicContact CG-CE2 4.45Å; L91-F95 WeakPolarHBondContact O-CD2 3.02Å; L91-F95 PolarHBondContact O-N 3.45Å
92A97.5Very high97Very high6 Ų643.4 Ų43.45%0.0523%0.228CC..Hα-helixtrans-61.7-44.3179.200000112V88 M89 E90 C94 F95 G96 V99 V101V88-A92 WeakPolarHBondContact O-CB 3.49Å; V88-A92 PolarHBondContact O-N 3.43Å; M89-A92 PolarHBondContact O-N 3.09Å; E90-A92 PolarHBondContact O-N 3.14Å; A92-C94 VanDerWaalsContact C-N 3.28Å; A92-C94 PolarHBondContact O-N 2.96Å; A92-F95 PolarHBondContact O-N 3.18Å; A92-G96 PolarHBondContact O-N 2.9Å; A92-V99 HydrophobicContact CB-CB 4.36Å; A92-V99 HydrophobicContact CB-CG1 3.8Å; A92-V101 HydrophobicContact CB-CG2 3.44Å; A92-V101 VanDerWaalsContact CB-CG2 3.44Å
93R96.9Very high97.1Very high171 Ų17140.7 Ų40.765%0.64522%0.224SC*.Hα-helixtrans-59.2-39.1174.7-72.6177.6-168132.3-0.5112.4M89 E90 L91 F95 G96M89-R93 WeakPolarHBondContact O-CG 3.34Å; M89-R93 PolarHBondContact O-N 3.44Å; E90-R93 PolarHBondContact O-N 2.93Å; L91-R93 PolarHBondContact O-N 3.36Å; R93-F95 VanDerWaalsContact C-N 3.29Å; R93-F95 PolarHBondContact O-N 2.94Å; R93-G96 PolarHBondContact O-N 2.79Å
94C96.8Very high97.1Very high13 Ų1340.6 Ų40.69%0.08821%0.21CC..Hα-helixtrans-57.6-44.1174.7166.80000110.6L17 C23 K27 E90 L91 A92L17-C94 HydrophobicContact CB-CB 4.27Å; C23-C94 VanDerWaalsContact CA-SG 3.55Å; C23-C94 HydrophobicContact CB-CB 3.96Å; C23-C94 WeakPolarHBondContact CB-SG 3.43Å; C23-C94 VanDerWaalsContact SG-C 3.54Å; C23-C94 WeakPolarHBondContact SG-CA 3.45Å; C23-C94 WeakPolarHBondContact SG-CB 3.42Å; C23-C94 PolarHBondContact SG-O 2.97Å; C23-C94 CovalentContact SG-SG 2.03Å; C23-C94 PolarHBondContact SG-SG 3.27Å; K27-C94 WeakPolarHBondContact CE-O 3.45Å; K27-C94 PolarHBondContact NZ-O 3.12Å; E90-C94 PolarHBondContact O-N 3.37Å; L91-C94 WeakPolarHBondContact O-CB 3.43Å; L91-C94 PolarHBondContact O-N 2.97Å; A92-C94 VanDerWaalsContact C-N 3.28Å; A92-C94 PolarHBondContact O-N 2.96Å
95F96.7Very high97.2Very high5 Ų545.4 Ų45.42%0.02225%0.245CC..Hα-helixtrans-77.4-27.7-179.3-79.6-79.8000115.2F26 K27 L62 R63 Y66 L91 A92 R93 V99F26-F95 HydrophobicContact CD1-CE2 4.42Å; F26-F95 HydrophobicContact CD1-CZ 4.28Å; F26-F95 HydrophobicContact CE1-CE2 4.04Å; F26-F95 AromaticContact CE1-CZ 3.96Å; F26-F95 HydrophobicContact CE1-CZ 3.96Å; K27-F95 HydrophobicContact CD-CD1 4.47Å; K27-F95 HydrophobicContact CD-CE1 4.41Å; K27-F95 HydrophobicContact CG-CD1 4.32Å; K27-F95 HydrophobicContact CG-CE1 3.8Å; K27-F95 HydrophobicContact CG-CZ 4.17Å; L62-F95 HydrophobicContact CB-CE2 4.39Å; L62-F95 HydrophobicContact CD2-CD2 3.36Å; L62-F95 HydrophobicContact CD2-CE2 3.67Å; L62-F95 HydrophobicContact CD2-CG 4.02Å; L62-F95 HydrophobicContact CG-CD2 3.88Å; L62-F95 HydrophobicContact CG-CE2 3.85Å; L62-F95 HydrophobicContact CG-CG 4.31Å; L62-F95 HydrophobicContact CG-CZ 4.23Å; R63-F95 HydrophobicContact CB-CZ 4.04Å; Y66-F95 AromaticContact CD1-CD1 3.56Å; Y66-F95 HydrophobicContact CD1-CD1 3.56Å; Y66-F95 AromaticContact CD1-CE1 3.87Å; Y66-F95 HydrophobicContact CD1-CE1 3.87Å; Y66-F95 HydrophobicContact CD2-CB 3.96Å; Y66-F95 AromaticContact CD2-CD1 3.38Å; Y66-F95 HydrophobicContact CD2-CD1 3.38Å; Y66-F95 HydrophobicContact CD2-CE1 4.16Å; Y66-F95 AromaticContact CD2-CG 3.95Å; Y66-F95 HydrophobicContact CD2-CG 3.95Å; Y66-F95 AromaticContact CE1-CD1 3.95Å; Y66-F95 HydrophobicContact CE1-CD1 3.95Å; Y66-F95 HydrophobicContact CE2-CB 3.76Å; Y66-F95 AromaticContact CE2-CD1 3.78Å; Y66-F95 HydrophobicContact CE2-CD1 3.78Å; Y66-F95 HydrophobicContact CE2-CG 4.19Å; Y66-F95 AromaticContact CG-CD1 3.25Å; Y66-F95 HydrophobicContact CG-CD1 3.25Å; Y66-F95 AromaticContact CG-CE1 3.61Å; Y66-F95 HydrophobicContact CG-CE1 3.61Å; Y66-F95 HydrophobicContact CG-CG 4.24Å; Y66-F95 PolarHBondContact OH-O 3.34Å; L91-F95 HydrophobicContact CD1-CD2 4Å; L91-F95 HydrophobicContact CD1-CE2 3.65Å; L91-F95 HydrophobicContact CG-CD2 4.43Å; L91-F95 HydrophobicContact CG-CE2 4.45Å; L91-F95 WeakPolarHBondContact O-CD2 3.02Å; L91-F95 PolarHBondContact O-N 3.45Å; A92-F95 PolarHBondContact O-N 3.18Å; R93-F95 VanDerWaalsContact C-N 3.29Å; R93-F95 PolarHBondContact O-N 2.94Å; F95-V99 HydrophobicContact CB-CB 4.31Å; F95-V99 HydrophobicContact CB-CG2 3.58Å
96G96Very high97.2Very high31 Ų3148.3 Ų48.332%0.3226%0.259SS..  trans113.9-173.6172.900000113.9A92 R93 N98 V99A92-G96 PolarHBondContact O-N 2.9Å; R93-G96 PolarHBondContact O-N 2.79Å; G96-N98 PolarHBondContact O-N 3.28Å; G96-V99 PolarHBondContact O-N 3.41Å
97S96.1Very high97.3Very high109 Ų10946.4 Ų46.476%0.76225%0.25SS*.THydrogen-bonded Turntrans-65.3-23-169.6540000114.6V99S97-V99 PolarHBondContact O-N 3.38Å
98N98Very high97.4Very high13 Ų1343.2 Ų43.27%0.0724%0.236CC..THydrogen-bonded Turntrans-76-3176.470.9-48.4000113.2Y66 R67 S68 N70 L71 Y72 G96 I134Y66-N98 WeakPolarHBondContact CE2-ND2 3.37Å; Y66-N98 WeakPolarHBondContact CE2-OD1 3.28Å; Y66-N98 PolarHBondContact OH-OD1 2.8Å; Y66-N98 VanDerWaalsContact OH-OD1 3.09Å; R67-N98 PolarHBondContact O-ND2 2.85Å; S68-N98 PolarHBondContact O-ND2 3.29Å; N70-N98 WeakPolarHBondContact O-CB 3.48Å; N70-N98 PolarHBondContact O-ND2 3.08Å; L71-N98 HydrophobicContact CD1-CB 4.4Å; Y72-N98 PolarHBondContact N-O 2.77Å; G96-N98 PolarHBondContact O-N 3.28Å; N98-I134 HydrophobicContact CB-CD1 3.78Å
99V98.6Very high97.4Very high9 Ų946.6 Ų46.66%0.05525%0.254CS..EExtended strand (participates in β ladder)trans-110.1103170.8-173.20000109.7L62 Y66 Y72 I74 A92 F95 G96 S97L62-V99 HydrophobicContact CD2-CG1 4.14Å; Y66-V99 HydrophobicContact CD2-CG2 3.94Å; Y66-V99 HydrophobicContact CE2-CG2 3.77Å; Y72-V99 HydrophobicContact CD2-CG2 3.81Å; Y72-V99 HydrophobicContact CG-CG2 4.15Å; I74-V99 HydrophobicContact CD1-CG1 3.61Å; I74-V99 HydrophobicContact CG1-CG1 4.2Å; A92-V99 HydrophobicContact CB-CB 4.36Å; A92-V99 HydrophobicContact CB-CG1 3.8Å; F95-V99 HydrophobicContact CB-CB 4.31Å; F95-V99 HydrophobicContact CB-CG2 3.58Å; G96-V99 PolarHBondContact O-N 3.41Å; S97-V99 PolarHBondContact O-N 3.38Å
100M98.2Very high97.4Very high46 Ų4646 Ų4623%0.22725%0.253CS..EExtended strand (participates in β ladder)trans-96.4146.7174.970.1-178.168.900111.4L71 Y72 C73 I74 K127 L128L71-M100 HydrophobicContact CD1-CE 4.38Å; Y72-M100 VanDerWaalsContact O-CG 3.3Å; Y72-M100 WeakPolarHBondContact O-CG 3.39Å; Y72-M100 PolarHBondContact O-N 3.4Å; C73-M100 CarbonylContact C-O 3.58Å; C73-M100 HydrophobicContact CB-CG 3.94Å; C73-M100 HydrophobicContact CB-SD 4.22Å; I74-M100 PolarHBondContact N-O 3.32Å; M100-K127 HydrophobicContact SD-CB 3.65Å; M100-K127 HydrophobicContact SD-CD 4.33Å; M100-L128 HydrophobicContact CE-CD2 4.42Å
101V98.6Very high97.5Very high19 Ų1948 Ų4812%0.11526%0.261CS..EExtended strand (participates in β ladder)trans-111.5132.3169.3-175.10000107.5I74 V76 Y85 V88 M89 A92 N103I74-V101 HydrophobicContact CB-CG2 4.37Å; I74-V101 CarbonylContact O-C 3.55Å; I74-V101 WeakPolarHBondContact O-CA 3.49Å; V76-V101 HydrophobicContact CG2-CG1 4.28Å; Y85-V101 HydrophobicContact CE2-CG1 3.98Å; V88-V101 HydrophobicContact CG1-CG1 4.15Å; V88-V101 HydrophobicContact CG1-CG2 3.98Å; M89-V101 HydrophobicContact SD-CB 3.54Å; M89-V101 VanDerWaalsContact SD-CB 3.54Å; M89-V101 HydrophobicContact SD-CG1 3.8Å; M89-V101 HydrophobicContact SD-CG2 3.87Å; A92-V101 HydrophobicContact CB-CG2 3.44Å; A92-V101 VanDerWaalsContact CB-CG2 3.44Å; V101-N103 PolarHBondContact O-N 3.11Å
102V98.5Very high97.4Very high1 Ų155 Ų551%0.00629%0.287CS..  trans-58.9129173.5173.40000108.8I74 H75 Y85 E106 L123 K127I74-V102 PolarHBondContact O-N 3.12Å; H75-V102 HydrophobicContact CB-CG2 4.23Å; Y85-V102 WeakPolarHBondContact CE2-O 3.19Å; Y85-V102 PolarHBondContact OH-O 3.15Å; V102-E106 HydrophobicContact CG1-CB 3.92Å; V102-L123 HydrophobicContact CG1-CD2 3.58Å; V102-L123 HydrophobicContact CG1-CG 4.43Å; V102-L123 HydrophobicContact CG2-CD2 4.26Å; V102-K127 HydrophobicContact CG2-CD 4.27Å
103N97.9Very high97.3Very high84 Ų8454.7 Ų54.745%0.44929%0.285SS..  trans-56142.9179.5-68.3-45000111.2Y85 V101 S105 E106 S107Y85-N103 WeakPolarHBondContact OH-CA 3.44Å; V101-N103 PolarHBondContact O-N 3.11Å; N103-S105 PolarHBondContact O-N 3.11Å; N103-S105 VanDerWaalsContact O-N 3.09Å; N103-E106 HydrophobicContact CB-CG 4.34Å; N103-E106 WeakPolarHBondContact CB-OE2 3.28Å; N103-E106 PolarHBondContact ND2-OE2 2.95Å; N103-E106 PolarHBondContact O-N 3.41Å; N103-S107 PolarHBondContact O-N 3.17Å; N103-S107 VanDerWaalsContact O-N 3.14Å
104R97.4Very high97.3Very high65 Ų6550.2 Ų50.225%0.24527%0.269CS..G310 helixtrans-54.9-34-178.9-171.362.6-177.9-134.86113.6S78 S80 Y85 E106 S107S78-R104 PolarHBondContact O-NH2 3.49Å; S80-R104 PolarHBondContact O-NH1 2.88Å; S80-R104 VanDerWaalsContact O-NH1 3.14Å; S80-R104 PolarHBondContact O-NH2 2.68Å; Y85-R104 VanDerWaalsContact CB-NH1 3.33Å; Y85-R104 HydrophobicContact CD2-CB 4.4Å; Y85-R104 HydrophobicContact CE1-CB 4.22Å; Y85-R104 HydrophobicContact CE2-CB 3.92Å; Y85-R104 PolarHBondContact OH-N 3.5Å; Y85-R104 VanDerWaalsContact OH-N 3.14Å; R104-E106 VanDerWaalsContact C-N 3.31Å; R104-S107 WeakPolarHBondContact O-CB 3.46Å; R104-S107 PolarHBondContact O-N 3.03Å
105S97.4Very high97.4Very high114 Ų11450.1 Ų50.180%0.79727%0.267SS*.G310 helixtrans-70.1-23.9177.251.30000114.2N103N103-S105 PolarHBondContact O-N 3.11Å; N103-S105 VanDerWaalsContact O-N 3.09Å
106E98Very high97.5Very high72 Ų7250.5 Ų50.534%0.33627%0.27SS..G310 helixtrans-97.1-4.5177.7-60.117578.300111.7V102 N103 R104 L123 K127V102-E106 HydrophobicContact CG1-CB 3.92Å; N103-E106 HydrophobicContact CB-CG 4.34Å; N103-E106 WeakPolarHBondContact CB-OE2 3.28Å; N103-E106 PolarHBondContact ND2-OE2 2.95Å; N103-E106 PolarHBondContact O-N 3.41Å; R104-E106 VanDerWaalsContact C-N 3.31Å; E106-L123 WeakPolarHBondContact O-CD2 3.33Å; E106-K127 VanDerWaalsContact CD-NZ 3.33Å; E106-K127 IonicContact OE1-NZ 3.72Å; E106-K127 PolarHBondContact OE1-NZ 3.23Å; E106-K127 IonicContact OE2-NZ 2.67Å; E106-K127 PolarHBondContact OE2-NZ 3.02Å
107S98Very high97.6Very high17 Ų1750 Ų5012%0.11926%0.26CS..  trans-67.3142.8-177.6176.20000111.8V76 S78 N103 R104V76-S107 PolarHBondContact O-OG 3.12Å; S78-S107 VanDerWaalsContact CA-OG 3.29Å; S78-S107 WeakPolarHBondContact CA-OG 3.38Å; S78-S107 WeakPolarHBondContact CB-OG 3.37Å; S78-S107 PolarHBondContact N-OG 2.86Å; N103-S107 PolarHBondContact O-N 3.17Å; N103-S107 VanDerWaalsContact O-N 3.14Å; R104-S107 WeakPolarHBondContact O-CB 3.46Å; R104-S107 PolarHBondContact O-N 3.03Å
108V98.3Very high97.7Very high16 Ų1644.8 Ų44.810%0.09722%0.224CC..  trans-100.5136.9-173.1179.70000108.5H75 S78 V110 E119 V120 L123H75-V108 PolarHBondContact CE1-O 2.73Å; H75-V108 PolarHBondContact NE2-N 3.33Å; S78-V108 PolarHBondContact N-O 3.48Å; S78-V108 VanDerWaalsContact N-O 3.12Å; S78-V108 PolarHBondContact OG-O 3.3Å; V108-V110 PolarHBondContact O-N 3.25Å; V108-E119 HydrophobicContact CG1-CB 4.45Å; V108-E119 HydrophobicContact CG1-CG 4.42Å; V108-E119 WeakPolarHBondContact CG1-OE2 3.04Å; V108-E119 HydrophobicContact CG2-CG 4.02Å; V108-V120 HydrophobicContact CB-CG2 4.02Å; V108-V120 HydrophobicContact CG1-CG2 4.36Å; V108-V120 HydrophobicContact CG2-CG2 4.43Å; V108-L123 HydrophobicContact CG2-CD2 4.33Å
109N97.6Very high97.7Very high71 Ų7147.6 Ų47.638%0.3824%0.237SC..  trans-77.998.3170.6-178-30.6000108.7S78 K79 K111 S116S78-N109 WeakPolarHBondContact OG-CA 3.42Å; S78-N109 WeakPolarHBondContact OG-CB 3.33Å; S78-N109 PolarHBondContact OG-N 2.76Å; S78-N109 VanDerWaalsContact OG-N 3.09Å; K79-N109 WeakPolarHBondContact CD-OD1 3.48Å; K79-N109 WeakPolarHBondContact CE-OD1 3.5Å; K79-N109 PolarHBondContact NZ-OD1 3.42Å; N109-K111 PolarHBondContact O-N 2.89Å; N109-S116 WeakPolarHBondContact O-CB 3.11Å
110V97.6Very high97.7Very high33 Ų3347.3 Ų47.320%0.224%0.235CC..  trans-79110.9-170.5-171.70000110.8D77 K79 V108 V117 V120D77-V110 HydrophobicContact CB-CG2 4.31Å; D77-V110 PolarHBondContact OD1-N 3.32Å; D77-V110 WeakPolarHBondContact OD2-CB 3.21Å; K79-V110 PolarHBondContact NZ-O 3.41Å; V108-V110 PolarHBondContact O-N 3.25Å; V110-V117 HydrophobicContact CG1-CG2 3.96Å; V110-V120 HydrophobicContact CG2-CG2 3.57Å
111K96.9Very high97.7Very high111 Ų11145.1 Ų45.148%0.48322%0.224SC..  trans-104120.3173.1-60.8-179.3-177.4178.60109.4N109 G113 Y114 S116N109-K111 PolarHBondContact O-N 2.89Å; K111-G113 PolarHBondContact O-N 3.32Å; K111-Y114 HydrophobicContact CB-CD2 3.53Å; K111-Y114 HydrophobicContact CB-CE2 4.28Å; K111-Y114 HydrophobicContact CB-CG 4.11Å; K111-Y114 PolarHBondContact O-N 2.81Å; K111-S116 PolarHBondContact N-OG 3.48Å; K111-S116 PolarHBondContact O-OG 3.35Å
112W94.6Very high97.7Very high148 Ų14845.3 Ų45.356%0.56122%0.224SC*.THydrogen-bonded Turntrans-58.9133.7179.3179.678.2000111.1Y114 L228 H230 N285W112-Y114 VanDerWaalsContact C-N 3.29Å; W112-Y114 VanDerWaalsContact O-CD2 3.25Å; W112-Y114 WeakPolarHBondContact O-CD2 3.3Å; W112-Y114 PolarHBondContact O-N 3.49Å; W112-L228 WeakPolarHBondContact O-CD1 3.2Å; W112-H230 AromaticContact CH2-NE2 3.56Å; W112-H230 AromaticContact CZ2-NE2 3.58Å; W112-N285 HydrophobicContact CZ2-CB 4.38Å
113G95.3Very high97.7Very high1 Ų146.4 Ų46.41%0.0123%0.23CC..THydrogen-bonded Turntrans79.31.5-178.300000115.4K111 L228 K229 H230K111-G113 PolarHBondContact O-N 3.32Å; G113-L228 CarbonylContact O-C 3.48Å; G113-L228 WeakPolarHBondContact O-CA 3.22Å; G113-K229 PolarHBondContact O-N 2.83Å; G113-H230 PolarHBondContact O-N 2.76Å
114Y98Very high97.7Very high77 Ų7742.4 Ų42.430%0.30221%0.209SC..SBendtrans-112.2167.6176.8-63.7-90.5000111.9K111 W112 S116 V117 N226 L227 L228K111-Y114 HydrophobicContact CB-CD2 3.53Å; K111-Y114 HydrophobicContact CB-CE2 4.28Å; K111-Y114 HydrophobicContact CB-CG 4.11Å; K111-Y114 PolarHBondContact O-N 2.81Å; W112-Y114 VanDerWaalsContact C-N 3.29Å; W112-Y114 VanDerWaalsContact O-CD2 3.25Å; W112-Y114 WeakPolarHBondContact O-CD2 3.3Å; W112-Y114 PolarHBondContact O-N 3.49Å; Y114-S116 PolarHBondContact O-N 3.34Å; Y114-V117 PolarHBondContact O-N 3.1Å; Y114-V117 VanDerWaalsContact O-N 3.1Å; Y114-N226 WeakPolarHBondContact CE1-O 3.47Å; Y114-L227 WeakPolarHBondContact CD1-O 3.06Å; Y114-L228 HydrophobicContact CD2-CD1 3.83Å; Y114-L228 HydrophobicContact CE1-CB 4.21Å; Y114-L228 HydrophobicContact CE2-CD1 3.39Å
115Y98.3Very high97.8Very high11 Ų1139.3 Ų39.34%0.04320%0.197CC..THydrogen-bonded Turntrans-50.8-29.6179.7-178.2-90.7000115.2V117 L118 E119 L218 K222 K225 P231Y115-V117 PolarHBondContact O-N 3.1Å; Y115-L118 HydrophobicContact CD2-CD2 4.36Å; Y115-L118 HydrophobicContact CE2-CD2 4.03Å; Y115-L118 WeakPolarHBondContact O-CB 3.03Å; Y115-L118 PolarHBondContact O-N 3.14Å; Y115-E119 HydrophobicContact CD1-CB 3.96Å; Y115-E119 HydrophobicContact CE1-CB 3.73Å; Y115-E119 HydrophobicContact CE1-CG 4.02Å; Y115-E119 PolarHBondContact O-N 3.25Å; Y115-L218 HydrophobicContact CE2-CD1 3.93Å; Y115-K222 HydrophobicContact CD2-CB 4.23Å; Y115-K222 HydrophobicContact CE1-CB 4.5Å; Y115-K222 HydrophobicContact CE1-CD 4.41Å; Y115-K222 HydrophobicContact CE1-CG 4.05Å; Y115-K222 HydrophobicContact CE2-CB 3.67Å; Y115-K222 HydrophobicContact CE2-CG 4.13Å; Y115-K225 HydrophobicContact CD1-CB 4.34Å; Y115-K225 HydrophobicContact CG-CB 4.05Å; Y115-P231 VanDerWaalsContact CA-CG 3.42Å; Y115-P231 HydrophobicContact CD2-CG 4.19Å
116S98.1Very high97.8Very high13 Ų1338.9 Ų38.99%0.09118%0.182CC..Hα-helixtrans-54.9-24.517852.30000114.5N109 K111 Y114 V120N109-S116 WeakPolarHBondContact O-CB 3.11Å; K111-S116 PolarHBondContact N-OG 3.48Å; K111-S116 PolarHBondContact O-OG 3.35Å; Y114-S116 PolarHBondContact O-N 3.34Å; S116-V120 WeakPolarHBondContact O-CG2 3.45Å; S116-V120 PolarHBondContact O-N 2.96Å
117V97.6Very high97.8Very high20 Ų2037.9 Ų37.912%0.12118%0.177CC..Hα-helixtrans-70-46.8174.8-177.40000110.7V110 Y114 Y115 F196 D232V110-V117 HydrophobicContact CG1-CG2 3.96Å; Y114-V117 PolarHBondContact O-N 3.1Å; Y114-V117 VanDerWaalsContact O-N 3.1Å; Y115-V117 PolarHBondContact O-N 3.1Å; V117-F196 HydrophobicContact CG1-CD1 4.07Å; V117-F196 HydrophobicContact CG1-CE1 3.91Å; V117-F196 HydrophobicContact CG1-CG 4.42Å; V117-F196 HydrophobicContact CG1-CZ 4.12Å; V117-F196 WeakPolarHBondContact O-CZ 3.45Å; V117-D232 HydrophobicContact CB-CB 4.05Å; V117-D232 HydrophobicContact CG1-CB 3.84Å; V117-D232 WeakPolarHBondContact CG1-OD2 3.36Å
118L98.3Very high97.8Very high0 Ų037.1 Ų37.10%017%0.172CC..Hα-helixtrans-64.4-42.1175.3176.158.9000111.1Y115 V120 F121 L122 L218 P231 D232 F235 F236Y115-L118 HydrophobicContact CD2-CD2 4.36Å; Y115-L118 HydrophobicContact CE2-CD2 4.03Å; Y115-L118 WeakPolarHBondContact O-CB 3.03Å; Y115-L118 PolarHBondContact O-N 3.14Å; L118-V120 VanDerWaalsContact C-N 3.26Å; L118-V120 PolarHBondContact O-N 3.27Å; L118-F121 PolarHBondContact O-N 2.83Å; L118-L122 HydrophobicContact CD1-CD1 4.3Å; L118-L122 HydrophobicContact CD1-CD2 4.38Å; L118-L122 HydrophobicContact CD1-CG 4.13Å; L118-L122 HydrophobicContact CD2-CD1 4.41Å; L118-L122 HydrophobicContact CG-CD1 3.87Å; L118-L122 HydrophobicContact CG-CG 4.18Å; L118-L122 WeakPolarHBondContact O-CG 3.36Å; L118-L122 PolarHBondContact O-N 2.63Å; L118-L218 HydrophobicContact CD2-CD1 3.91Å; L118-P231 HydrophobicContact CD2-CB 4.3Å; L118-D232 HydrophobicContact CB-CB 4.14Å; L118-F235 HydrophobicContact CD1-CB 4.26Å; L118-F235 HydrophobicContact CD1-CD1 4.02Å; L118-F235 HydrophobicContact CD2-CB 3.78Å; L118-F235 HydrophobicContact CD2-CD1 4.26Å; L118-F235 HydrophobicContact CD2-CG 4.1Å; L118-F236 HydrophobicContact CD1-CD2 4.2Å; L118-F236 HydrophobicContact CD1-CE2 3.4Å; L118-F236 HydrophobicContact CD1-CZ 4.01Å
119E98.3Very high97.8Very high71 Ų7136.8 Ų36.833%0.33217%0.169SC..Hα-helixtrans-55.1-39.2-179.8-169.1169.4-145.800112.9V108 Y115 F121 L122 L123V108-E119 HydrophobicContact CG1-CB 4.45Å; V108-E119 HydrophobicContact CG1-CG 4.42Å; V108-E119 WeakPolarHBondContact CG1-OE2 3.04Å; V108-E119 HydrophobicContact CG2-CG 4.02Å; Y115-E119 HydrophobicContact CD1-CB 3.96Å; Y115-E119 HydrophobicContact CE1-CB 3.73Å; Y115-E119 HydrophobicContact CE1-CG 4.02Å; Y115-E119 PolarHBondContact O-N 3.25Å; E119-F121 PolarHBondContact O-N 2.94Å; E119-L122 PolarHBondContact O-N 2.82Å; E119-L123 WeakPolarHBondContact O-CB 3.11Å; E119-L123 PolarHBondContact O-N 3.49Å
120V98Very high97.8Very high4 Ų438.8 Ų38.82%0.02418%0.18CC..Hα-helixtrans-59.8-45.6176.2168.50000112A50 H75 V108 V110 S116 L118 C124A50-V120 HydrophobicContact CB-CG1 3.93Å; H75-V120 HydrophobicContact CB-CG1 3.57Å; H75-V120 WeakPolarHBondContact CE1-CG2 3.46Å; H75-V120 VanDerWaalsContact CG-CG1 3.49Å; V108-V120 HydrophobicContact CB-CG2 4.02Å; V108-V120 HydrophobicContact CG1-CG2 4.36Å; V108-V120 HydrophobicContact CG2-CG2 4.43Å; V110-V120 HydrophobicContact CG2-CG2 3.57Å; S116-V120 WeakPolarHBondContact O-CG2 3.45Å; S116-V120 PolarHBondContact O-N 2.96Å; L118-V120 VanDerWaalsContact C-N 3.26Å; L118-V120 PolarHBondContact O-N 3.27Å; V120-C124 PolarHBondContact O-N 3.28Å; V120-C124 VanDerWaalsContact O-N 3.14Å
121F98.4Very high97.8Very high0 Ų038.7 Ų38.70%018%0.178CC..Hα-helixtrans-65.1-45.7178176.7-92.3000111.1L118 E119 L123 C124 A125 I139 N141 F196 M198 L200 F236L118-F121 PolarHBondContact O-N 2.83Å; E119-F121 PolarHBondContact O-N 2.94Å; F121-L123 VanDerWaalsContact C-N 3.3Å; F121-L123 PolarHBondContact O-N 3Å; F121-C124 PolarHBondContact O-N 3.06Å; F121-A125 HydrophobicContact CD1-CB 4.36Å; F121-A125 HydrophobicContact CE1-CB 3.9Å; F121-A125 HydrophobicContact CZ-CB 4.18Å; F121-A125 VanDerWaalsContact O-CB 3.32Å; F121-A125 WeakPolarHBondContact O-CB 3.3Å; F121-A125 PolarHBondContact O-N 3.24Å; F121-I139 HydrophobicContact CE2-CD1 3.78Å; F121-I139 HydrophobicContact CE2-CG1 4.1Å; F121-I139 HydrophobicContact CE2-CG2 4.46Å; F121-I139 HydrophobicContact CZ-CD1 3.88Å; F121-I139 HydrophobicContact CZ-CG1 4.34Å; F121-I139 HydrophobicContact CZ-CG2 3.96Å; F121-N141 HydrophobicContact CD2-CB 3.65Å; F121-N141 HydrophobicContact CE2-CB 3.92Å; F121-F196 HydrophobicContact CB-CE2 3.74Å; F121-F196 HydrophobicContact CB-CZ 3.71Å; F121-F196 HydrophobicContact CG-CE2 4.39Å; F121-M198 HydrophobicContact CD1-CE 3.59Å; F121-M198 HydrophobicContact CD2-CE 3.72Å; F121-M198 HydrophobicContact CE1-CE 3.32Å; F121-M198 HydrophobicContact CE2-CE 3.43Å; F121-M198 VanDerWaalsContact CE2-CE 3.43Å; F121-M198 HydrophobicContact CG-CE 3.78Å; F121-M198 HydrophobicContact CZ-CE 3.22Å; F121-M198 HydrophobicContact CZ-SD 4.49Å; F121-L200 HydrophobicContact CE1-CD1 4.23Å; F121-L200 HydrophobicContact CZ-CD1 4.09Å; F121-F236 HydrophobicContact CD1-CE1 4.49Å; F121-F236 AromaticContact CD1-CE2 3.65Å; F121-F236 HydrophobicContact CD1-CE2 3.65Å; F121-F236 AromaticContact CD1-CZ 3.41Å; F121-F236 HydrophobicContact CD1-CZ 3.41Å; F121-F236 VanDerWaalsContact CD1-CZ 3.41Å; F121-F236 HydrophobicContact CE1-CE1 4.1Å; F121-F236 AromaticContact CE1-CE2 3.95Å; F121-F236 HydrophobicContact CE1-CE2 3.95Å; F121-F236 AromaticContact CE1-CZ 3.41Å; F121-F236 HydrophobicContact CE1-CZ 3.41Å; F121-F236 VanDerWaalsContact CE1-CZ 3.41Å; F121-F236 HydrophobicContact CG-CE2 4.42Å
122L98.6Very high97.7Very high22 Ų2239.4 Ų39.412%0.11519%0.192CC..Hα-helixtrans-59.3-43.2-179.2-63.8174.4000111.5L118 E119 A125 E126 Y208 L218 F235 F236L118-L122 HydrophobicContact CD1-CD1 4.3Å; L118-L122 HydrophobicContact CD1-CD2 4.38Å; L118-L122 HydrophobicContact CD1-CG 4.13Å; L118-L122 HydrophobicContact CD2-CD1 4.41Å; L118-L122 HydrophobicContact CG-CD1 3.87Å; L118-L122 HydrophobicContact CG-CG 4.18Å; L118-L122 WeakPolarHBondContact O-CG 3.36Å; L118-L122 PolarHBondContact O-N 2.63Å; E119-L122 PolarHBondContact O-N 2.82Å; L122-A125 PolarHBondContact O-N 3.03Å; L122-E126 WeakPolarHBondContact O-CB 3.45Å; L122-E126 PolarHBondContact O-N 3.18Å; L122-Y208 HydrophobicContact CD2-CD2 4.41Å; L122-Y208 HydrophobicContact CD2-CE2 3.66Å; L122-L218 HydrophobicContact CD1-CD1 3.7Å; L122-L218 HydrophobicContact CD1-CD2 3.97Å; L122-L218 HydrophobicContact CD1-CG 4.47Å; L122-F235 HydrophobicContact CD2-CE1 4.21Å; L122-F236 HydrophobicContact CD2-CZ 4.08Å
123L98.4Very high97.7Very high25 Ų2540 Ų4013%0.13120%0.201CC..Hα-helixtrans-60.8-46176.2-18064.6000112.1V102 E106 V108 E119 F121 K127V102-L123 HydrophobicContact CG1-CD2 3.58Å; V102-L123 HydrophobicContact CG1-CG 4.43Å; V102-L123 HydrophobicContact CG2-CD2 4.26Å; E106-L123 WeakPolarHBondContact O-CD2 3.33Å; V108-L123 HydrophobicContact CG2-CD2 4.33Å; E119-L123 WeakPolarHBondContact O-CB 3.11Å; E119-L123 PolarHBondContact O-N 3.49Å; F121-L123 VanDerWaalsContact C-N 3.3Å; F121-L123 PolarHBondContact O-N 3Å; L123-K127 WeakPolarHBondContact O-CG 3.33Å; L123-K127 PolarHBondContact O-N 3.22Å
124C98.6Very high97.9Very high0 Ų041.1 Ų41.10%021%0.207CC..Hα-helixtrans-68.2-42177.2-92.20000112.1S48 C73 V120 F121 E126 K127 L128S48-C124 VanDerWaalsContact OG-CB 3.29Å; S48-C124 WeakPolarHBondContact OG-CB 3.44Å; C73-C124 HydrophobicContact CB-CB 3.63Å; C73-C124 WeakPolarHBondContact CB-SG 3.49Å; C73-C124 WeakPolarHBondContact SG-CA 3.27Å; C73-C124 WeakPolarHBondContact SG-CB 3.04Å; C73-C124 CovalentContact SG-SG 2.05Å; C73-C124 PolarHBondContact SG-SG 3.42Å; V120-C124 PolarHBondContact O-N 3.28Å; V120-C124 VanDerWaalsContact O-N 3.14Å; F121-C124 PolarHBondContact O-N 3.06Å; C124-E126 VanDerWaalsContact C-N 3.31Å; C124-E126 PolarHBondContact O-N 3.43Å; C124-K127 PolarHBondContact O-N 3.23Å; C124-L128 HydrophobicContact CB-CD1 4.46Å; C124-L128 WeakPolarHBondContact O-CB 3.3Å; C124-L128 WeakPolarHBondContact O-CD1 3.01Å; C124-L128 WeakPolarHBondContact O-CG 3.38Å; C124-L128 PolarHBondContact O-N 3.43Å
125A98.6Very high97.9Very high0 Ų041.5 Ų41.50%021%0.213CC..Hα-helixtrans-61-39.5177.800000111.9F121 L122 L128 I129 I139 V205 Y208F121-A125 HydrophobicContact CD1-CB 4.36Å; F121-A125 HydrophobicContact CE1-CB 3.9Å; F121-A125 HydrophobicContact CZ-CB 4.18Å; F121-A125 VanDerWaalsContact O-CB 3.32Å; F121-A125 WeakPolarHBondContact O-CB 3.3Å; F121-A125 PolarHBondContact O-N 3.24Å; L122-A125 PolarHBondContact O-N 3.03Å; A125-L128 PolarHBondContact O-N 3.14Å; A125-I129 WeakPolarHBondContact O-CB 3.49Å; A125-I129 WeakPolarHBondContact O-CG2 3.49Å; A125-I129 PolarHBondContact O-N 2.94Å; A125-I139 HydrophobicContact CB-CD1 4Å; A125-V205 HydrophobicContact CB-CG1 4.21Å; A125-Y208 WeakPolarHBondContact CB-OH 3.42Å
126E98.3Very high97.9Very high104 Ų10441.1 Ų41.149%0.48621%0.211SC..Hα-helixtrans-61.4-43.9173.3-177.1179.5-164.400112.3L122 C124 I129 N130L122-E126 WeakPolarHBondContact O-CB 3.45Å; L122-E126 PolarHBondContact O-N 3.18Å; C124-E126 VanDerWaalsContact C-N 3.31Å; C124-E126 PolarHBondContact O-N 3.43Å; E126-I129 WeakPolarHBondContact O-CG2 3.19Å; E126-N130 PolarHBondContact O-N 2.97Å; E126-N130 PolarHBondContact O-ND2 2.78Å
127K98Very high97.9Very high52 Ų5245.1 Ų45.123%0.22623%0.227CC..Hα-helixtrans-67.7-38.7176.6-67.5-179.5-175.5-63.40112.2M100 V102 E106 L123 C124M100-K127 HydrophobicContact SD-CB 3.65Å; M100-K127 HydrophobicContact SD-CD 4.33Å; V102-K127 HydrophobicContact CG2-CD 4.27Å; E106-K127 VanDerWaalsContact CD-NZ 3.33Å; E106-K127 IonicContact OE1-NZ 3.72Å; E106-K127 PolarHBondContact OE1-NZ 3.23Å; E106-K127 IonicContact OE2-NZ 2.67Å; E106-K127 PolarHBondContact OE2-NZ 3.02Å; L123-K127 WeakPolarHBondContact O-CG 3.33Å; L123-K127 PolarHBondContact O-N 3.22Å; C124-K127 PolarHBondContact O-N 3.23Å
128L98.5Very high98Very high0 Ų044.6 Ų44.60%022%0.223CC..Hα-helixtrans-72.4-38.9-178.3-67.6166.3000112.2A46 L71 C73 M100 C124 A125 N130 N131 W136 I139A46-L128 HydrophobicContact CB-CD1 4.19Å; A46-L128 HydrophobicContact CB-CD2 4.46Å; L71-L128 HydrophobicContact CB-CD2 4.09Å; L71-L128 HydrophobicContact CD2-CB 4.26Å; L71-L128 HydrophobicContact CD2-CD2 3.42Å; L71-L128 VanDerWaalsContact CD2-CD2 3.42Å; L71-L128 HydrophobicContact CD2-CG 4.45Å; L71-L128 HydrophobicContact CG-CD2 3.43Å; L71-L128 VanDerWaalsContact CG-CD2 3.43Å; C73-L128 HydrophobicContact CB-CD1 3.78Å; C73-L128 HydrophobicContact CB-CD2 3.84Å; C73-L128 HydrophobicContact CB-CG 3.76Å; M100-L128 HydrophobicContact CE-CD2 4.42Å; C124-L128 HydrophobicContact CB-CD1 4.46Å; C124-L128 WeakPolarHBondContact O-CB 3.3Å; C124-L128 WeakPolarHBondContact O-CD1 3.01Å; C124-L128 WeakPolarHBondContact O-CG 3.38Å; C124-L128 PolarHBondContact O-N 3.43Å; A125-L128 PolarHBondContact O-N 3.14Å; L128-N130 VanDerWaalsContact C-N 3.26Å; L128-N130 PolarHBondContact O-N 2.81Å; L128-N131 PolarHBondContact O-N 2.84Å; L128-W136 HydrophobicContact CB-CZ2 4.37Å; L128-W136 PolarHBondContact O-NE1 3.38Å; L128-I139 HydrophobicContact CD1-CD1 3.46Å; L128-I139 VanDerWaalsContact CD1-CD1 3.46Å; L128-I139 HydrophobicContact CD1-CG1 4.19Å
129I97.9Very high98Very high9 Ų944.6 Ų44.65%0.04622%0.223CC..Hα-helixtrans-66.5-31.5-179.7-163.371.3000111.9A125 E126 N131 W136 R202 V205A125-I129 WeakPolarHBondContact O-CB 3.49Å; A125-I129 WeakPolarHBondContact O-CG2 3.49Å; A125-I129 PolarHBondContact O-N 2.94Å; E126-I129 WeakPolarHBondContact O-CG2 3.19Å; I129-N131 VanDerWaalsContact C-N 3.29Å; I129-N131 PolarHBondContact O-N 2.83Å; I129-W136 HydrophobicContact CB-CZ2 4.2Å; I129-W136 HydrophobicContact CD1-CH2 3.99Å; I129-W136 HydrophobicContact CD1-CZ2 3.63Å; I129-R202 HydrophobicContact CD1-CG 3.36Å; I129-R202 VanDerWaalsContact CD1-CZ 3.49Å; I129-R202 PolarHBondContact O-NH2 2.8Å; I129-V205 HydrophobicContact CB-CG1 4.23Å; I129-V205 HydrophobicContact CD1-CB 4.33Å; I129-V205 HydrophobicContact CD1-CG1 4.09Å; I129-V205 HydrophobicContact CG1-CG1 4.29Å
130N97.1Very high98Very high114 Ų11441.2 Ų41.261%0.6121%0.207SC*.THydrogen-bonded Turntrans-80.4-3.9-178.9-72-24.3000114E126 L128 T132E126-N130 PolarHBondContact O-N 2.97Å; E126-N130 PolarHBondContact O-ND2 2.78Å; L128-N130 VanDerWaalsContact C-N 3.26Å; L128-N130 PolarHBondContact O-N 2.81Å; N130-T132 PolarHBondContact O-N 2.79Å
131N97.1Very high98Very high31 Ų3141.1 Ų41.117%0.16621%0.207CC..  trans-71.3130.2174.5-172.5-82.3000110.7L71 L128 I129 E133 I134L71-N131 HydrophobicContact CD2-CB 3.49Å; L71-N131 VanDerWaalsContact CD2-CB 3.49Å; L128-N131 PolarHBondContact O-N 2.84Å; I129-N131 VanDerWaalsContact C-N 3.29Å; I129-N131 PolarHBondContact O-N 2.83Å; N131-E133 PolarHBondContact OD1-N 3.32Å; N131-E133 VanDerWaalsContact OD1-N 3.08Å; N131-I134 PolarHBondContact OD1-N 3.24Å
132T95.1Very high98Very high126 Ų12641.2 Ų41.277%0.77321%0.207SC*.SBendtrans-101-14.9-177.252.30000113.7N130N130-T132 PolarHBondContact O-N 2.79Å
133E96.2Very high97.8Very high160 Ų16040.9 Ų40.975%0.74821%0.207SC*.SBendtrans-85.9-41.6-177.8-63.9-178.2168.400112N131N131-E133 PolarHBondContact OD1-N 3.32Å; N131-E133 VanDerWaalsContact OD1-N 3.08Å
134I97.7Very high97.6Very high24 Ų2440 Ų4012%0.12320%0.204CC..  trans-116.5101.3-178.5-58.7179.5000108.9P44 H69 N70 L71 N98 N131 W136P44-I134 HydrophobicContact CB-CG2 3.83Å; P44-I134 HydrophobicContact CG-CG2 4.44Å; H69-I134 WeakPolarHBondContact O-CG2 3.46Å; N70-I134 WeakPolarHBondContact O-CD1 3.37Å; L71-I134 HydrophobicContact CB-CG2 4.23Å; L71-I134 HydrophobicContact CD1-CD1 4.21Å; N98-I134 HydrophobicContact CB-CD1 3.78Å; N131-I134 PolarHBondContact OD1-N 3.24Å; I134-W136 PolarHBondContact O-N 3.44Å
135I97.8Very high97.4Very high86 Ų8640.9 Ų40.944%0.44121%0.208SC..  trans-87.691.6175.2-48.9-56000109.5
136W98.6Very high97.3Very high2 Ų240.9 Ų40.91%0.00821%0.208CC..  trans-73.1159.7-179.753.7-91.8000113.9P44 A46 L128 I129 I134 Y138 I139 R202 V205P44-W136 HydrophobicContact CB-CB 4.38Å; P44-W136 CarbonylContact O-C 3.37Å; P44-W136 VanDerWaalsContact O-CA 3.27Å; P44-W136 WeakPolarHBondContact O-CA 3.13Å; P44-W136 WeakPolarHBondContact O-CB 3.28Å; A46-W136 HydrophobicContact CB-CB 3.97Å; A46-W136 HydrophobicContact CB-CD2 3.56Å; A46-W136 HydrophobicContact CB-CE3 3.98Å; A46-W136 HydrophobicContact CB-CG 3.53Å; L128-W136 HydrophobicContact CB-CZ2 4.37Å; L128-W136 PolarHBondContact O-NE1 3.38Å; I129-W136 HydrophobicContact CB-CZ2 4.2Å; I129-W136 HydrophobicContact CD1-CH2 3.99Å; I129-W136 HydrophobicContact CD1-CZ2 3.63Å; I134-W136 PolarHBondContact O-N 3.44Å; W136-Y138 VanDerWaalsContact CE3-C 3.48Å; W136-I139 HydrophobicContact CE3-CB 4.28Å; W136-I139 HydrophobicContact CH2-CB 4.02Å; W136-I139 HydrophobicContact CH2-CG2 4.09Å; W136-I139 HydrophobicContact CZ3-CB 3.74Å; W136-I139 HydrophobicContact CZ3-CG2 3.96Å; W136-R202 HydrophobicContact CD2-CB 4.35Å; W136-R202 HydrophobicContact CD2-CG 4.17Å; W136-R202 HydrophobicContact CE3-CB 3.69Å; W136-R202 HydrophobicContact CE3-CG 3.98Å; W136-R202 HydrophobicContact CH2-CB 3.85Å; W136-R202 HydrophobicContact CH2-CG 3.69Å; W136-R202 HydrophobicContact CZ2-CB 4.48Å; W136-R202 HydrophobicContact CZ2-CG 3.88Å; W136-R202 HydrophobicContact CZ3-CB 3.42Å; W136-R202 VanDerWaalsContact CZ3-CB 3.42Å; W136-R202 HydrophobicContact CZ3-CG 3.76Å; W136-R202 WeakPolarHBondContact O-CD 3.2Å; W136-V205 HydrophobicContact CH2-CB 4.06Å; W136-V205 HydrophobicContact CH2-CG1 4.4Å; W136-V205 HydrophobicContact CH2-CG2 3.8Å; W136-V205 HydrophobicContact CZ3-CG2 4.47Å
137K98.6Very high97.2Very high98 Ų9836 Ų3643%0.42619%0.185SC..SBendtrans-100.2-44.3-177.9-59.6-59.3-175.7-179.50112F43 P44 R201 R202F43-K137 HydrophobicContact CD1-CB 3.99Å; F43-K137 HydrophobicContact CD1-CG 4.1Å; F43-K137 HydrophobicContact CD2-CB 4.36Å; F43-K137 HydrophobicContact CD2-CG 3.87Å; F43-K137 HydrophobicContact CE1-CB 3.63Å; F43-K137 HydrophobicContact CE1-CG 4.16Å; F43-K137 HydrophobicContact CE2-CB 4.03Å; F43-K137 HydrophobicContact CE2-CG 3.93Å; F43-K137 HydrophobicContact CG-CB 4.35Å; F43-K137 HydrophobicContact CG-CG 3.96Å; F43-K137 HydrophobicContact CZ-CB 3.66Å; F43-K137 HydrophobicContact CZ-CG 4.08Å; P44-K137 PolarHBondContact O-N 2.9Å; K137-R201 WeakPolarHBondContact O-CA 3.29Å; K137-R202 PolarHBondContact O-N 3.43Å
138Y98.9Very high97.2Very high8 Ų833.6 Ų33.63%0.03118%0.175CC..EExtended strand (participates in β ladder)trans-131.9145.9178.4-80.2-100000111.5F43 A46 W136 L159 G164 S165 A199 L200 R201F43-Y138 AromaticContact CE1-CD2 3.86Å; F43-Y138 HydrophobicContact CE1-CD2 3.86Å; F43-Y138 HydrophobicContact CE1-CE2 4.4Å; F43-Y138 AromaticContact CZ-CD2 3.79Å; F43-Y138 HydrophobicContact CZ-CD2 3.79Å; F43-Y138 AromaticContact CZ-CE2 3.91Å; F43-Y138 HydrophobicContact CZ-CE2 3.91Å; A46-Y138 PolarHBondContact N-O 2.84Å; W136-Y138 VanDerWaalsContact CE3-C 3.48Å; Y138-L159 HydrophobicContact CD1-CD2 3.8Å; Y138-L159 HydrophobicContact CD2-CB 4.26Å; Y138-L159 HydrophobicContact CD2-CD1 4.28Å; Y138-L159 HydrophobicContact CD2-CD2 4.28Å; Y138-L159 HydrophobicContact CE1-CD2 3.97Å; Y138-L159 HydrophobicContact CE2-CB 4.32Å; Y138-L159 HydrophobicContact CE2-CD2 4.45Å; Y138-L159 HydrophobicContact CG-CD1 4.08Å; Y138-L159 HydrophobicContact CG-CD2 3.96Å; Y138-L159 HydrophobicContact CG-CG 4.47Å; Y138-G164 WeakPolarHBondContact OH-CA 3.41Å; Y138-S165 WeakPolarHBondContact CE1-O 3.49Å; Y138-S165 PolarHBondContact OH-O 3.27Å; Y138-A199 HydrophobicContact CD1-CB 4.28Å; Y138-L200 CarbonylContact C-O 3.59Å; Y138-L200 WeakPolarHBondContact CA-O 3.14Å; Y138-L200 VanDerWaalsContact CD1-C 3.43Å; Y138-L200 WeakPolarHBondContact CD1-O 3.37Å; Y138-R201 HydrophobicContact CD1-CG 4.25Å; Y138-R201 HydrophobicContact CE1-CB 4.45Å; Y138-R201 HydrophobicContact CE1-CG 3.55Å; Y138-R201 HydrophobicContact CE2-CG 3.94Å; Y138-R201 WeakPolarHBondContact OH-CG 3.35Å
139I98.8Very high97.2Very high0 Ų033.6 Ų33.60%018%0.175CC..EExtended strand (participates in β ladder)trans-105.5134167.7-174.5172.8000110.3A46 F121 A125 L128 W136 A199 L200 V205A46-I139 HydrophobicContact CB-CB 4.09Å; A46-I139 HydrophobicContact CB-CG1 4.11Å; A46-I139 CarbonylContact O-C 3.59Å; A46-I139 VanDerWaalsContact O-CA 3.29Å; A46-I139 WeakPolarHBondContact O-CA 3.47Å; F121-I139 HydrophobicContact CE2-CD1 3.78Å; F121-I139 HydrophobicContact CE2-CG1 4.1Å; F121-I139 HydrophobicContact CE2-CG2 4.46Å; F121-I139 HydrophobicContact CZ-CD1 3.88Å; F121-I139 HydrophobicContact CZ-CG1 4.34Å; F121-I139 HydrophobicContact CZ-CG2 3.96Å; A125-I139 HydrophobicContact CB-CD1 4Å; L128-I139 HydrophobicContact CD1-CD1 3.46Å; L128-I139 VanDerWaalsContact CD1-CD1 3.46Å; L128-I139 HydrophobicContact CD1-CG1 4.19Å; W136-I139 HydrophobicContact CE3-CB 4.28Å; W136-I139 HydrophobicContact CH2-CB 4.02Å; W136-I139 HydrophobicContact CH2-CG2 4.09Å; W136-I139 HydrophobicContact CZ3-CB 3.74Å; W136-I139 HydrophobicContact CZ3-CG2 3.96Å; I139-A199 CarbonylContact O-C 3.43Å; I139-A199 VanDerWaalsContact O-CA 3.28Å; I139-A199 WeakPolarHBondContact O-CA 3.35Å; I139-L200 HydrophobicContact CG2-CB 3.88Å; I139-L200 PolarHBondContact N-O 3.2Å; I139-L200 PolarHBondContact O-N 2.8Å; I139-V205 HydrophobicContact CG2-CG2 3.73Å
140L98.8Very high97.2Very high0 Ų033.4 Ų33.40%017%0.174CC..EExtended strand (participates in β ladder)trans-120.6130.7175.8-59.390.1000109.7L45 A46 F47 S48 A199 L304 F305L45-L140 HydrophobicContact CB-CD1 4.3Å; L45-L140 HydrophobicContact CD1-CD1 4.32Å; L45-L140 HydrophobicContact CD2-CD1 4.42Å; A46-L140 PolarHBondContact O-N 2.86Å; F47-L140 CarbonylContact C-O 3.57Å; F47-L140 VanDerWaalsContact CA-O 3.26Å; F47-L140 WeakPolarHBondContact CA-O 3.4Å; F47-L140 HydrophobicContact CD1-CB 3.99Å; F47-L140 HydrophobicContact CE1-CB 4.09Å; F47-L140 HydrophobicContact CE1-CD1 4.16Å; F47-L140 HydrophobicContact CE1-CD2 4.42Å; F47-L140 HydrophobicContact CE1-CG 4.46Å; F47-L140 HydrophobicContact CZ-CD1 4.39Å; S48-L140 PolarHBondContact N-O 2.87Å; L140-A199 HydrophobicContact CD2-CB 4.2Å; L140-A199 HydrophobicContact CG-CB 3.92Å; L140-L304 HydrophobicContact CD2-CD2 3.69Å; L140-F305 HydrophobicContact CD2-CE2 4.12Å
141N98.2Very high97.2Very high2 Ų228 Ų281%0.01115%0.145CC..EExtended strand (participates in β ladder)trans-94.2131.717663.2-37.3000112.3S48 F121 F196 Y197 M198 R269S48-N141 CarbonylContact O-C 3.59Å; S48-N141 VanDerWaalsContact O-CA 3.29Å; S48-N141 WeakPolarHBondContact O-CA 3.35Å; F121-N141 HydrophobicContact CD2-CB 3.65Å; F121-N141 HydrophobicContact CE2-CB 3.92Å; N141-F196 WeakPolarHBondContact ND2-CD1 3.4Å; N141-F196 WeakPolarHBondContact ND2-CE1 3.47Å; N141-F196 PolarHBondContact ND2-O 2.85Å; N141-Y197 WeakPolarHBondContact OD1-CA 3.39Å; N141-M198 WeakPolarHBondContact OD1-CG 3.1Å; N141-M198 PolarHBondContact OD1-N 3.18Å; N141-M198 PolarHBondContact OD1-O 2.81Å; N141-R269 PolarHBondContact O-NH2 3.14Å; N141-R269 PolarHBondContact OD1-NH2 2.82Å
142V98Very high97.3Very high2 Ų226.9 Ų26.91%0.01214%0.139CC..EExtended strand (participates in β ladder)trans-132.5136.6-176.2-167.20000109.4F47 S48 L49 A50 L61 E146 F305F47-V142 HydrophobicContact CD1-CG2 4.13Å; S48-V142 PolarHBondContact O-N 3.46Å; L49-V142 CarbonylContact C-O 3.58Å; L49-V142 VanDerWaalsContact CA-O 3.24Å; L49-V142 WeakPolarHBondContact CA-O 3.18Å; A50-V142 PolarHBondContact N-O 3.45Å; L61-V142 HydrophobicContact CD1-CG1 4.18Å; L61-V142 HydrophobicContact CD2-CG1 3.8Å; V142-E146 HydrophobicContact CG1-CB 3.92Å; V142-F305 HydrophobicContact CG1-CD1 4.04Å; V142-F305 HydrophobicContact CG1-CE1 4.04Å; V142-F305 HydrophobicContact CG2-CD1 4.45Å; V142-F305 HydrophobicContact CG2-CE1 3.96Å; V142-F305 HydrophobicContact CG2-CE2 4.27Å; V142-F305 HydrophobicContact CG2-CZ 3.88Å
143S95.5Very high97.5Very high15 Ų1522 Ų2211%0.10511%0.106CC..EExtended strand (participates in β ladder)trans-89152.3171.3710000110.8A50 L61 Q145 E146 Y197A50-S143 WeakPolarHBondContact O-CA 3.29Å; L61-S143 WeakPolarHBondContact CD2-O 3.27Å; S143-Q145 PolarHBondContact O-N 3.25Å; S143-E146 WeakPolarHBondContact CB-OE2 3.49Å; S143-E146 PolarHBondContact N-OE2 3.4Å; S143-E146 PolarHBondContact O-N 3.35Å; S143-E146 WeakPolarHBondContact OG-CG 3.35Å; S143-E146 PolarHBondContact OG-OE2 3.36Å; S143-Y197 WeakPolarHBondContact CB-OH 3.35Å; S143-Y197 PolarHBondContact OG-OH 3.28Å
144G93.6Very high97.6Very high7 Ų714.4 Ų14.47%0.0727%0.071CC..THydrogen-bonded Turntrans-62.43.4176.800000116A50A50-G144 PolarHBondContact O-N 3.44Å
145Q94.3Very high97.6Very high19 Ų1913.4 Ų13.49%0.0897%0.066CC..THydrogen-bonded Turntrans-120.517.8-177.2-58.7179.6-73.200112H52 S143 K308 Y309H52-Q145 PolarHBondContact CE1-OE1 2.86Å; S143-Q145 PolarHBondContact O-N 3.25Å; Q145-K308 HydrophobicContact CB-CD 4.16Å; Q145-K308 HydrophobicContact CB-CG 3.68Å; Q145-K308 VanDerWaalsContact NE2-CE 3.28Å; Q145-Y309 PolarHBondContact O-N 2.84Å
146E96.2Very high97.7Very high0 Ų09.3 Ų9.30%05%0.045CC..EExtended strand (participates in β ladder)trans-108162.1174.9-72.6173.311400111.6V142 S143 Y197 R269 A306 N307V142-E146 HydrophobicContact CG1-CB 3.92Å; S143-E146 WeakPolarHBondContact CB-OE2 3.49Å; S143-E146 PolarHBondContact N-OE2 3.4Å; S143-E146 PolarHBondContact O-N 3.35Å; S143-E146 WeakPolarHBondContact OG-CG 3.35Å; S143-E146 PolarHBondContact OG-OE2 3.36Å; E146-Y197 VanDerWaalsContact OE2-CE1 3.26Å; E146-Y197 WeakPolarHBondContact OE2-CE1 3.48Å; E146-R269 WeakPolarHBondContact OE1-CG 2.99Å; E146-R269 IonicContact OE1-NE 2.61Å; E146-A306 VanDerWaalsContact CA-O 3.31Å; E146-A306 WeakPolarHBondContact CA-O 3.42Å; E146-N307 HydrophobicContact CG-CB 3.77Å; E146-N307 VanDerWaalsContact CG-ND2 3.3Å; E146-N307 WeakPolarHBondContact CG-ND2 3.5Å
147L96.8Very high97.7Very high0 Ų09.6 Ų9.60%05%0.047CC..EExtended strand (participates in β ladder)trans-131.6147.2165.1-80.3178.8000109.5L64 F305 A306 Y309 Y318 T321L64-L147 HydrophobicContact CD1-CD2 3.48Å; L64-L147 VanDerWaalsContact CD1-CD2 3.48Å; L147-F305 CarbonylContact O-C 3.35Å; L147-F305 WeakPolarHBondContact O-CA 3.42Å; L147-A306 PolarHBondContact N-O 2.78Å; L147-A306 PolarHBondContact O-N 3.08Å; L147-Y309 HydrophobicContact CB-CD2 4.13Å; L147-Y309 HydrophobicContact CB-CE2 3.72Å; L147-Y309 HydrophobicContact CD1-CD1 4.46Å; L147-Y309 HydrophobicContact CD1-CD2 4.24Å; L147-Y309 HydrophobicContact CD1-CE1 4.27Å; L147-Y309 HydrophobicContact CD1-CE2 4.05Å; L147-Y309 HydrophobicContact CD1-CG 4.45Å; L147-Y309 HydrophobicContact CG-CD2 4.11Å; L147-Y309 HydrophobicContact CG-CE2 4.09Å; L147-Y318 HydrophobicContact CD1-CD1 3.76Å; L147-Y318 HydrophobicContact CD1-CD2 3.67Å; L147-Y318 HydrophobicContact CD1-CE1 3.88Å; L147-Y318 HydrophobicContact CD1-CE2 3.79Å; L147-Y318 HydrophobicContact CD1-CG 3.65Å; L147-Y318 HydrophobicContact CD2-CD1 4.48Å; L147-Y318 HydrophobicContact CD2-CE1 3.75Å; L147-Y318 HydrophobicContact CD2-CE2 3.82Å; L147-Y318 WeakPolarHBondContact CD2-OH 3.37Å; L147-Y318 HydrophobicContact CG-CD1 4.49Å; L147-Y318 HydrophobicContact CG-CD2 3.99Å; L147-Y318 HydrophobicContact CG-CE1 4.17Å; L147-Y318 HydrophobicContact CG-CE2 3.62Å; L147-Y318 HydrophobicContact CG-CG 4.42Å; L147-T321 HydrophobicContact CB-CG2 4.15Å; L147-T321 HydrophobicContact CD1-CG2 3.91Å
148P97.9Very high97.6Very high2 Ų24.9 Ų4.91%0.0133%0.027CC..EExtended strand (participates in β ladder)trans-63.4145.317127-33000110.9L64 I65 R150 F305 I325L64-P148 HydrophobicContact CB-CG 3.91Å; L64-P148 HydrophobicContact CD1-CG 4.09Å; I65-P148 HydrophobicContact CG2-CB 4.35Å; I65-P148 HydrophobicContact CG2-CG 4.06Å; P148-R150 WeakPolarHBondContact CB-O 3.44Å; P148-F305 HydrophobicContact CB-CD1 4.11Å; P148-F305 HydrophobicContact CB-CE1 3.81Å; P148-F305 HydrophobicContact CB-CZ 4.42Å; P148-I325 HydrophobicContact CG-CG1 4.43Å; P148-I325 HydrophobicContact CG-CG2 4.33Å; P148-I325 WeakPolarHBondContact O-CG1 3.47Å
149L97.3Very high97.6Very high0 Ų04.6 Ų4.60%03%0.026CC..SBendtrans-105.9-0.7166.1-65.7-179.4000112I298 R301 E303 L304 A306 T321L149-I298 HydrophobicContact CD2-CD1 3.56Å; L149-I298 HydrophobicContact CD2-CG2 4.01Å; L149-R301 HydrophobicContact CD1-CB 3.76Å; L149-R301 HydrophobicContact CD1-CG 4.08Å; L149-E303 WeakPolarHBondContact CB-O 3.38Å; L149-E303 HydrophobicContact CD1-CB 4.17Å; L149-L304 PolarHBondContact N-O 2.86Å; L149-A306 HydrophobicContact CD1-CB 3.88Å; L149-A306 HydrophobicContact CD2-CB 3.86Å; L149-A306 HydrophobicContact CG-CB 3.83Å; L149-T321 HydrophobicContact CD2-CG2 4.39Å
150R97.8Very high97.6Very high5 Ų59.3 Ų9.32%0.0195%0.046CC..SBendtrans-131.8144.8-178.5-64.8-61.6-178.6-113.518111P148 E154 L155 L158 R301 M302 Y347P148-R150 WeakPolarHBondContact CB-O 3.44Å; R150-E154 VanDerWaalsContact CA-OE2 3.26Å; R150-E154 WeakPolarHBondContact CA-OE2 3.33Å; R150-E154 HydrophobicContact CB-CB 4.03Å; R150-E154 WeakPolarHBondContact CD-OE2 3.13Å; R150-L155 HydrophobicContact CB-CD2 3.81Å; R150-L155 HydrophobicContact CB-CG 4.02Å; R150-L155 HydrophobicContact CG-CD2 4.4Å; R150-L158 HydrophobicContact CG-CD2 4.28Å; R150-R301 PolarHBondContact NH1-O 3.49Å; R150-R301 PolarHBondContact NH2-O 3.45Å; R150-M302 VanDerWaalsContact NH2-CA 3.31Å; R150-Y347 PolarHBondContact NE-OH 3.26Å; R150-Y347 PolarHBondContact NH2-OH 2.69Å
151T98.2Very high97.6Very high2 Ų210.5 Ų10.51%0.0126%0.056CC..  trans-72.2166.3169.675.30000110.4W153 E154 L155 K328 V329 E332T151-W153 VanDerWaalsContact C-N 3.27Å; T151-W153 PolarHBondContact O-N 2.72Å; T151-W153 PolarHBondContact OG1-N 3.04Å; T151-E154 PolarHBondContact N-OE2 2.9Å; T151-E154 PolarHBondContact O-N 2.61Å; T151-E154 WeakPolarHBondContact OG1-CG 3.44Å; T151-E154 PolarHBondContact OG1-N 2.73Å; T151-E154 VanDerWaalsContact OG1-N 3.14Å; T151-L155 WeakPolarHBondContact O-CG 3.26Å; T151-L155 PolarHBondContact O-N 3.35Å; T151-K328 HydrophobicContact CG2-CB 4.01Å; T151-K328 HydrophobicContact CG2-CD 3.87Å; T151-K328 HydrophobicContact CG2-CG 3.82Å; T151-V329 HydrophobicContact CG2-CG2 3.57Å; T151-E332 VanDerWaalsContact CB-OE2 3.27Å; T151-E332 WeakPolarHBondContact CB-OE2 3.41Å; T151-E332 WeakPolarHBondContact CG2-OE1 3.3Å; T151-E332 WeakPolarHBondContact CG2-OE2 3.28Å; T151-E332 PolarHBondContact OG1-OE1 3.14Å; T151-E332 PolarHBondContact OG1-OE2 3.2Å
152N98.7Very high97.5Very high6 Ų610.6 Ų10.63%0.0326%0.057CC..Hα-helixtrans-60-39.9174.6-175.280.2000111.7E40 R67 N70 L155 V156E40-N152 WeakPolarHBondContact CG-ND2 3.35Å; E40-N152 WeakPolarHBondContact OE1-CB 3.16Å; E40-N152 PolarHBondContact OE1-ND2 3.49Å; R67-N152 HydrophobicContact CG-CB 3.97Å; N70-N152 PolarHBondContact ND2-OD1 3.06Å; N152-L155 PolarHBondContact O-N 2.81Å; N152-V156 WeakPolarHBondContact O-CG2 3.48Å; N152-V156 PolarHBondContact O-N 2.72Å
153W98.7Very high97.5Very high24 Ų2415.3 Ų15.39%0.0918%0.082CC..Hα-helixtrans-64.6-41.1177.1-1678.8000111.8T37 E39 E40 T151 L155 V156 A157 E332 L338T37-W153 HydrophobicContact CG2-CD2 3.81Å; T37-W153 HydrophobicContact CG2-CE3 3.81Å; T37-W153 HydrophobicContact CG2-CG 4.48Å; T37-W153 HydrophobicContact CG2-CH2 3.95Å; T37-W153 HydrophobicContact CG2-CZ2 3.96Å; T37-W153 HydrophobicContact CG2-CZ3 3.88Å; E39-W153 PolarHBondContact OE2-NE1 3.03Å; E40-W153 HydrophobicContact CG-CB 3.89Å; E40-W153 HydrophobicContact CG-CG 4.09Å; E40-W153 PolarHBondContact OE1-N 3.12Å; T151-W153 VanDerWaalsContact C-N 3.27Å; T151-W153 PolarHBondContact O-N 2.72Å; T151-W153 PolarHBondContact OG1-N 3.04Å; W153-L155 PolarHBondContact O-N 3.16Å; W153-V156 PolarHBondContact O-N 3.29Å; W153-A157 WeakPolarHBondContact O-CB 3.32Å; W153-A157 PolarHBondContact O-N 3.36Å; W153-E332 HydrophobicContact CE3-CB 3.95Å; W153-E332 HydrophobicContact CE3-CG 4.22Å; W153-E332 HydrophobicContact CZ3-CB 4.16Å; W153-L338 HydrophobicContact CB-CD2 4.01Å; W153-L338 HydrophobicContact CD2-CD2 3.55Å; W153-L338 HydrophobicContact CD2-CG 4.06Å; W153-L338 HydrophobicContact CE3-CD2 3.95Å; W153-L338 HydrophobicContact CE3-CG 4.37Å; W153-L338 HydrophobicContact CG-CD2 3.58Å; W153-L338 HydrophobicContact CG-CG 4.48Å; W153-L338 HydrophobicContact CZ2-CG 4.31Å
154E98.6Very high97.6Very high0 Ų015.3 Ų15.30%09%0.085CC..Hα-helixtrans-63.3-40.9173.6-70.9-177.1127.700113R150 T151 V156 A157 L158 K328 L338 F342R150-E154 VanDerWaalsContact CA-OE2 3.26Å; R150-E154 WeakPolarHBondContact CA-OE2 3.33Å; R150-E154 HydrophobicContact CB-CB 4.03Å; R150-E154 WeakPolarHBondContact CD-OE2 3.13Å; T151-E154 PolarHBondContact N-OE2 2.9Å; T151-E154 PolarHBondContact O-N 2.61Å; T151-E154 WeakPolarHBondContact OG1-CG 3.44Å; T151-E154 PolarHBondContact OG1-N 2.73Å; T151-E154 VanDerWaalsContact OG1-N 3.14Å; E154-V156 VanDerWaalsContact C-N 3.32Å; E154-V156 PolarHBondContact O-N 2.53Å; E154-A157 PolarHBondContact O-N 2.69Å; E154-L158 WeakPolarHBondContact O-CD2 3.14Å; E154-L158 VanDerWaalsContact O-CG 3.27Å; E154-L158 WeakPolarHBondContact O-CG 3.27Å; E154-L158 PolarHBondContact O-N 2.98Å; E154-K328 WeakPolarHBondContact OE1-CE 3.47Å; E154-K328 IonicContact OE1-NZ 3.36Å; E154-K328 PolarHBondContact OE1-NZ 3.49Å; E154-K328 VanDerWaalsContact OE2-CE 3.31Å; E154-K328 WeakPolarHBondContact OE2-CE 3.47Å; E154-K328 IonicContact OE2-NZ 3.46Å; E154-K328 PolarHBondContact OE2-NZ 3.34Å; E154-L338 HydrophobicContact CG-CD2 3.9Å; E154-F342 HydrophobicContact CB-CD2 4.11Å; E154-F342 HydrophobicContact CB-CE1 4.22Å; E154-F342 HydrophobicContact CB-CE2 3.74Å; E154-F342 HydrophobicContact CB-CG 4.49Å; E154-F342 HydrophobicContact CB-CZ 3.79Å; E154-F342 HydrophobicContact CG-CB 4.47Å; E154-F342 HydrophobicContact CG-CD1 4.03Å; E154-F342 HydrophobicContact CG-CD2 3.82Å; E154-F342 HydrophobicContact CG-CE1 4.17Å; E154-F342 HydrophobicContact CG-CE2 3.98Å; E154-F342 HydrophobicContact CG-CG 3.84Å; E154-F342 HydrophobicContact CG-CZ 4.13Å; E154-F342 WeakPolarHBondContact O-CZ 3.03Å; E154-F342 WeakPolarHBondContact OE1-CB 3.05Å; E154-F342 WeakPolarHBondContact OE1-CD2 3.13Å; E154-F342 WeakPolarHBondContact OE1-CG 3.33Å
155L98.8Very high97.8Very high4 Ų415 Ų152%0.0218%0.081CC..Hα-helixtrans-59.8-44174-68.8176.9000111L45 F47 R150 T151 N152 W153 L158 L159 L304L45-L155 HydrophobicContact CD1-CB 3.92Å; L45-L155 HydrophobicContact CD1-CD1 4.34Å; F47-L155 HydrophobicContact CE1-CD1 4.46Å; F47-L155 HydrophobicContact CZ-CD1 4.25Å; R150-L155 HydrophobicContact CB-CD2 3.81Å; R150-L155 HydrophobicContact CB-CG 4.02Å; R150-L155 HydrophobicContact CG-CD2 4.4Å; T151-L155 WeakPolarHBondContact O-CG 3.26Å; T151-L155 PolarHBondContact O-N 3.35Å; N152-L155 PolarHBondContact O-N 2.81Å; W153-L155 PolarHBondContact O-N 3.16Å; L155-L158 HydrophobicContact CD2-CD2 4.29Å; L155-L158 WeakPolarHBondContact O-CG 3.49Å; L155-L159 VanDerWaalsContact O-CB 3.27Å; L155-L159 WeakPolarHBondContact O-CB 3.01Å; L155-L159 WeakPolarHBondContact O-CD1 3.43Å; L155-L159 WeakPolarHBondContact O-CG 3.38Å; L155-L159 PolarHBondContact O-N 3.32Å; L155-L304 HydrophobicContact CD2-CB 3.93Å; L155-L304 HydrophobicContact CD2-CD2 3.82Å; L155-L304 HydrophobicContact CD2-CG 3.7Å
156V98.8Very high98Very high0 Ų014.3 Ų14.30%08%0.078CC..Hα-helixtrans-63.1-48.6176.11680000111E39 E40 F43 L45 N152 W153 E154 L158 L159 K160E39-V156 HydrophobicContact CG-CG1 3.81Å; E40-V156 HydrophobicContact CG-CG2 4.33Å; F43-V156 HydrophobicContact CB-CG1 3.58Å; F43-V156 HydrophobicContact CB-CG2 4.23Å; F43-V156 HydrophobicContact CD1-CB 4.44Å; F43-V156 HydrophobicContact CD1-CG1 4.09Å; F43-V156 HydrophobicContact CD1-CG2 4.15Å; F43-V156 HydrophobicContact CG-CG1 3.92Å; L45-V156 HydrophobicContact CD1-CG2 4.26Å; L45-V156 HydrophobicContact CG-CG2 4.38Å; N152-V156 WeakPolarHBondContact O-CG2 3.48Å; N152-V156 PolarHBondContact O-N 2.72Å; W153-V156 PolarHBondContact O-N 3.29Å; E154-V156 VanDerWaalsContact C-N 3.32Å; E154-V156 PolarHBondContact O-N 2.53Å; V156-L158 PolarHBondContact O-N 3.35Å; V156-L159 PolarHBondContact O-N 3.47Å; V156-K160 HydrophobicContact CG1-CD 3.98Å; V156-K160 WeakPolarHBondContact O-CG 3.31Å; V156-K160 PolarHBondContact O-N 2.72Å
157A98.6Very high98.1Very high7 Ų714.6 Ų14.66%0.0588%0.079CC..Hα-helixtrans-62-44.8-178.200000112.3W153 E154 A161 L338 F342 V344W153-A157 WeakPolarHBondContact O-CB 3.32Å; W153-A157 PolarHBondContact O-N 3.36Å; E154-A157 PolarHBondContact O-N 2.69Å; A157-A161 WeakPolarHBondContact O-CB 3.3Å; A157-A161 PolarHBondContact O-N 2.93Å; A157-L338 HydrophobicContact CB-CD1 3.71Å; A157-F342 HydrophobicContact CB-CE1 3.93Å; A157-F342 HydrophobicContact CB-CZ 4.46Å; A157-V344 HydrophobicContact CB-CG2 4.38Å
158L98.2Very high98.1Very high0 Ų014.9 Ų14.90%08%0.081CC..Hα-helixtrans-67.9-41176.367.492.6000112.2R150 E154 L155 V156 K160 A161 M162 I167 L304 F342 Y347R150-L158 HydrophobicContact CG-CD2 4.28Å; E154-L158 WeakPolarHBondContact O-CD2 3.14Å; E154-L158 VanDerWaalsContact O-CG 3.27Å; E154-L158 WeakPolarHBondContact O-CG 3.27Å; E154-L158 PolarHBondContact O-N 2.98Å; L155-L158 HydrophobicContact CD2-CD2 4.29Å; L155-L158 WeakPolarHBondContact O-CG 3.49Å; V156-L158 PolarHBondContact O-N 3.35Å; L158-K160 VanDerWaalsContact C-N 3.27Å; L158-K160 PolarHBondContact O-N 3.5Å; L158-A161 CarbonylContact O-C 3.58Å; L158-A161 WeakPolarHBondContact O-CB 3.07Å; L158-A161 PolarHBondContact O-N 2.95Å; L158-A161 VanDerWaalsContact O-N 3.08Å; L158-M162 HydrophobicContact CD1-SD 4.32Å; L158-M162 VanDerWaalsContact O-CG 3.3Å; L158-M162 WeakPolarHBondContact O-CG 3.39Å; L158-M162 PolarHBondContact O-N 3.32Å; L158-I167 HydrophobicContact CD1-CD1 4.22Å; L158-L304 HydrophobicContact CD1-CD1 4.43Å; L158-L304 HydrophobicContact CD2-CG 4.47Å; L158-F342 HydrophobicContact CB-CZ 4Å; L158-F342 HydrophobicContact CD2-CE2 4.24Å; L158-F342 HydrophobicContact CD2-CZ 4.24Å; L158-Y347 HydrophobicContact CB-CD1 3.93Å; L158-Y347 HydrophobicContact CB-CD2 3.57Å; L158-Y347 HydrophobicContact CB-CE1 4.26Å; L158-Y347 HydrophobicContact CB-CE2 3.93Å; L158-Y347 HydrophobicContact CB-CG 3.57Å; L158-Y347 HydrophobicContact CD1-CD1 4.43Å; L158-Y347 HydrophobicContact CD2-CE1 4.1Å; L158-Y347 HydrophobicContact CD2-CE2 4.31Å
159L98.6Very high98.1Very high1 Ų115.6 Ų15.61%0.0059%0.085CC..Hα-helixtrans-66.1-33.4-179.5-72.5169.5000111.5F43 L45 Y138 L155 V156 I167 A199F43-L159 HydrophobicContact CE1-CB 3.83Å; F43-L159 HydrophobicContact CE1-CD1 4.29Å; F43-L159 HydrophobicContact CZ-CB 4.1Å; L45-L159 HydrophobicContact CD1-CD1 4.35Å; L45-L159 HydrophobicContact CD2-CD1 3.55Å; Y138-L159 HydrophobicContact CD1-CD2 3.8Å; Y138-L159 HydrophobicContact CD2-CB 4.26Å; Y138-L159 HydrophobicContact CD2-CD1 4.28Å; Y138-L159 HydrophobicContact CD2-CD2 4.28Å; Y138-L159 HydrophobicContact CE1-CD2 3.97Å; Y138-L159 HydrophobicContact CE2-CB 4.32Å; Y138-L159 HydrophobicContact CE2-CD2 4.45Å; Y138-L159 HydrophobicContact CG-CD1 4.08Å; Y138-L159 HydrophobicContact CG-CD2 3.96Å; Y138-L159 HydrophobicContact CG-CG 4.47Å; L155-L159 VanDerWaalsContact O-CB 3.27Å; L155-L159 WeakPolarHBondContact O-CB 3.01Å; L155-L159 WeakPolarHBondContact O-CD1 3.43Å; L155-L159 WeakPolarHBondContact O-CG 3.38Å; L155-L159 PolarHBondContact O-N 3.32Å; V156-L159 PolarHBondContact O-N 3.47Å; L159-I167 HydrophobicContact CD2-CD1 4.07Å; L159-A199 HydrophobicContact CD2-CB 4.16Å
160K98.4Very high98Very high99 Ų9915.7 Ų15.743%0.439%0.085SC..Hα-helixtrans-66.9-43.2169.1-72176.269.7-175.40111.9E39 F43 V156 L158 M162 N163E39-K160 HydrophobicContact CG-CD 4.34Å; E39-K160 WeakPolarHBondContact OE1-CD 3.45Å; E39-K160 WeakPolarHBondContact OE1-CE 3.33Å; E39-K160 IonicContact OE1-NZ 2.69Å; E39-K160 PolarHBondContact OE1-NZ 3.26Å; F43-K160 HydrophobicContact CD2-CD 3.94Å; F43-K160 HydrophobicContact CD2-CG 3.63Å; F43-K160 HydrophobicContact CE2-CD 4.32Å; F43-K160 HydrophobicContact CE2-CG 3.5Å; F43-K160 VanDerWaalsContact CE2-CG 3.5Å; F43-K160 HydrophobicContact CG-CD 4.42Å; F43-K160 HydrophobicContact CG-CG 4.28Å; F43-K160 HydrophobicContact CZ-CG 4.05Å; V156-K160 HydrophobicContact CG1-CD 3.98Å; V156-K160 WeakPolarHBondContact O-CG 3.31Å; V156-K160 PolarHBondContact O-N 2.72Å; L158-K160 VanDerWaalsContact C-N 3.27Å; L158-K160 PolarHBondContact O-N 3.5Å; K160-M162 PolarHBondContact O-N 3.09Å; K160-N163 PolarHBondContact O-N 3.2Å; K160-N163 VanDerWaalsContact O-N 3.13Å
161A98.1Very high97.9Very high26 Ų2617.1 Ų17.122%0.2159%0.093CC..Hα-helixtrans-65.5-24.9178.700000113.5A157 L158 N163 V344 S348A157-A161 WeakPolarHBondContact O-CB 3.3Å; A157-A161 PolarHBondContact O-N 2.93Å; L158-A161 CarbonylContact O-C 3.58Å; L158-A161 WeakPolarHBondContact O-CB 3.07Å; L158-A161 PolarHBondContact O-N 2.95Å; L158-A161 VanDerWaalsContact O-N 3.08Å; A161-N163 PolarHBondContact O-N 2.83Å; A161-V344 HydrophobicContact CB-CG2 3.73Å; A161-S348 VanDerWaalsContact O-CA 3.29Å; A161-S348 WeakPolarHBondContact O-CA 3.34Å; A161-S348 VanDerWaalsContact O-CB 3.31Å; A161-S348 WeakPolarHBondContact O-CB 3.37Å
162M97.4Very high97.7Very high4 Ų417 Ų172%0.029%0.093CC..THydrogen-bonded Turntrans-73.6-1.8174.7-75.9-171.162.700114.3L158 K160 G164 S165 I167 I267 S353L158-M162 HydrophobicContact CD1-SD 4.32Å; L158-M162 VanDerWaalsContact O-CG 3.3Å; L158-M162 WeakPolarHBondContact O-CG 3.39Å; L158-M162 PolarHBondContact O-N 3.32Å; K160-M162 PolarHBondContact O-N 3.09Å; M162-G164 PolarHBondContact O-N 3.08Å; M162-G164 VanDerWaalsContact O-N 3.09Å; M162-S165 WeakPolarHBondContact CE-OG 3.42Å; M162-S165 PolarHBondContact O-N 3.39Å; M162-S165 PolarHBondContact O-OG 3.49Å; M162-I167 HydrophobicContact CE-CD1 4.28Å; M162-I167 HydrophobicContact CE-CG1 3.41Å; M162-I167 VanDerWaalsContact CE-CG1 3.41Å; M162-I167 HydrophobicContact SD-CD1 3.63Å; M162-I167 HydrophobicContact SD-CG1 3.46Å; M162-I167 WeakPolarHBondContact SD-CG1 3.42Å; M162-I267 HydrophobicContact SD-CD1 4.04Å; M162-S353 WeakPolarHBondContact CG-OG 3.31Å
163N96.8Very high97.5Very high100 Ų10019.7 Ų19.754%0.53511%0.11SC..THydrogen-bonded Turntrans5528.8169.8-163.938.4000115.9K160 A161 H356K160-N163 PolarHBondContact O-N 3.2Å; K160-N163 VanDerWaalsContact O-N 3.13Å; A161-N163 PolarHBondContact O-N 2.83Å; N163-H356 PolarHBondContact O-CE1 2.53Å; N163-H356 VanDerWaalsContact O-CE1 3.24Å; N163-H356 PolarHBondContact O-NE2 3.4Å
164G97.7Very high97.4Very high16 Ų1627.7 Ų27.717%0.16515%0.145CC..THydrogen-bonded Turntrans93.711.4179.800000115Y138 M162 R201 G249 H356Y138-G164 WeakPolarHBondContact OH-CA 3.41Å; M162-G164 PolarHBondContact O-N 3.08Å; M162-G164 VanDerWaalsContact O-N 3.09Å; G164-R201 WeakPolarHBondContact O-CD 3.39Å; G164-R201 PolarHBondContact O-NH1 3.12Å; G164-G249 WeakPolarHBondContact O-CA 3.31Å; G164-H356 VanDerWaalsContact C-NE2 3.34Å
165S98.1Very high97.2Very high0 Ų031.8 Ų31.80%016%0.164CC..  trans-81.5154.1168.758.50000112.2Y138 M162 C352 S353 H356Y138-S165 WeakPolarHBondContact CE1-O 3.49Å; Y138-S165 PolarHBondContact OH-O 3.27Å; M162-S165 WeakPolarHBondContact CE-OG 3.42Å; M162-S165 PolarHBondContact O-N 3.39Å; M162-S165 PolarHBondContact O-OG 3.49Å; S165-C352 WeakPolarHBondContact CB-O 3.48Å; S165-S353 VanDerWaalsContact OG-CA 3.31Å; S165-S353 WeakPolarHBondContact OG-CA 3.46Å; S165-S353 PolarHBondContact OG-OG 3.29Å; S165-S353 VanDerWaalsContact OG-OG 3.07Å; S165-H356 PolarHBondContact N-NE2 2.89Å
166N98.3Very high97Very high4 Ų434.2 Ų34.22%0.02118%0.177CC..  trans-84.3157.8170.8-59.2-53000111.3V168 L200 R201 F204 N240 P248 G249N166-V168 HydrophobicContact CB-CG2 4.08Å; N166-L200 HydrophobicContact CB-CD2 4.13Å; N166-R201 PolarHBondContact OD1-N 3.38Å; N166-F204 VanDerWaalsContact ND2-CD2 3.28Å; N166-F204 WeakPolarHBondContact ND2-CD2 3.28Å; N166-N240 WeakPolarHBondContact CB-OD1 3.48Å; N166-N240 PolarHBondContact ND2-OD1 3.03Å; N166-P248 PolarHBondContact ND2-O 3.3Å; N166-G249 PolarHBondContact N-O 2.68Å; N166-G249 PolarHBondContact ND2-O 2.69Å
167I97.9Very high96.9Very high6 Ų637.5 Ų37.53%0.03120%0.199CC..BIsolated β-bridgetrans-100.4101.6166.7-58.2172.3000108.2L158 L159 M162 M198 A199 Y266 I267 L304L158-I167 HydrophobicContact CD1-CD1 4.22Å; L159-I167 HydrophobicContact CD2-CD1 4.07Å; M162-I167 HydrophobicContact CE-CD1 4.28Å; M162-I167 HydrophobicContact CE-CG1 3.41Å; M162-I167 VanDerWaalsContact CE-CG1 3.41Å; M162-I167 HydrophobicContact SD-CD1 3.63Å; M162-I167 HydrophobicContact SD-CG1 3.46Å; M162-I167 WeakPolarHBondContact SD-CG1 3.42Å; I167-M198 CarbonylContact O-C 3.55Å; I167-M198 WeakPolarHBondContact O-CA 3.33Å; I167-M198 WeakPolarHBondContact O-CB 3.48Å; I167-A199 HydrophobicContact CB-CB 3.91Å; I167-A199 HydrophobicContact CD1-CB 3.82Å; I167-A199 HydrophobicContact CG1-CB 4.07Å; I167-A199 PolarHBondContact N-O 2.85Å; I167-A199 PolarHBondContact O-N 2.88Å; I167-Y266 HydrophobicContact CG2-CE2 4.29Å; I167-I267 HydrophobicContact CD1-CD1 3.76Å; I167-I267 HydrophobicContact CD1-CG1 4.17Å; I167-I267 HydrophobicContact CG1-CD1 4.09Å; I167-I267 HydrophobicContact CG1-CG1 4.32Å; I167-I267 HydrophobicContact CG2-CD1 4.47Å; I167-I267 HydrophobicContact CG2-CG1 3.79Å; I167-L304 HydrophobicContact CD1-CD1 3.82Å; I167-L304 HydrophobicContact CD1-CD2 3.67Å; I167-L304 HydrophobicContact CD1-CG 4.42Å
168V97.4Very high96.7Very high6 Ų642.9 Ų42.94%0.03622%0.223CC..  trans-139.1130.8177-176.50000109.1N166 M198 L200 F236 N240 Y241N166-V168 HydrophobicContact CB-CG2 4.08Å; V168-M198 HydrophobicContact CG2-CB 4.28Å; V168-L200 HydrophobicContact CG2-CD2 3.71Å; V168-F236 HydrophobicContact CG1-CB 4.47Å; V168-N240 HydrophobicContact CB-CB 4.02Å; V168-N240 HydrophobicContact CG1-CB 4.13Å; V168-N240 HydrophobicContact CG2-CB 4Å; V168-Y241 HydrophobicContact CB-CE2 4.18Å; V168-Y241 HydrophobicContact CG1-CE2 4.22Å; V168-Y241 WeakPolarHBondContact O-CE2 3.4Å; V168-Y241 PolarHBondContact O-OH 3.14Å
169E97Very high96.6Very high18 Ų1844.9 Ų44.98%0.08423%0.23CC..  trans-68.8144.2175.8-173.1179.2-123.800110.7L171 K193 G194 S195 Y266E169-L171 HydrophobicContact CG-CD2 3.93Å; E169-L171 HydrophobicContact CG-CG 4.18Å; E169-K193 IonicContact OE2-NZ 3.7Å; E169-K193 PolarHBondContact OE2-NZ 3.47Å; E169-G194 VanDerWaalsContact O-CA 3.3Å; E169-G194 WeakPolarHBondContact O-CA 3.42Å; E169-S195 WeakPolarHBondContact OE2-CB 3.36Å; E169-S195 PolarHBondContact OE2-N 2.83Å; E169-S195 VanDerWaalsContact OE2-N 3.08Å; E169-Y266 HydrophobicContact CB-CD1 4.12Å; E169-Y266 HydrophobicContact CB-CD2 3.42Å; E169-Y266 VanDerWaalsContact CB-CD2 3.42Å; E169-Y266 HydrophobicContact CB-CE1 4.45Å; E169-Y266 HydrophobicContact CB-CE2 3.77Å; E169-Y266 HydrophobicContact CB-CG 3.6Å; E169-Y266 HydrophobicContact CG-CD1 4.18Å; E169-Y266 HydrophobicContact CG-CD2 4.15Å; E169-Y266 HydrophobicContact CG-CG 3.79Å
170N96.1Very high96.5Very high2 Ų246.7 Ų46.71%0.01124%0.237CC..  trans-130.2105.6171.5-17024.6000110.2G172 S192 Y241 Y255 T257N170-G172 PolarHBondContact OD1-N 3.02Å; N170-S192 PolarHBondContact OD1-OG 2.67Å; N170-Y241 HydrophobicContact CB-CD1 4.01Å; N170-Y241 HydrophobicContact CB-CD2 3.71Å; N170-Y241 HydrophobicContact CB-CE1 3.7Å; N170-Y241 HydrophobicContact CB-CE2 3.44Å; N170-Y241 VanDerWaalsContact CB-CE2 3.44Å; N170-Y241 HydrophobicContact CB-CG 3.99Å; N170-Y241 VanDerWaalsContact ND2-CD1 3.31Å; N170-Y241 WeakPolarHBondContact ND2-CD1 3.47Å; N170-Y255 WeakPolarHBondContact CB-O 3.37Å; N170-Y255 PolarHBondContact ND2-O 2.85Å; N170-T257 WeakPolarHBondContact O-CB 3.3Å; N170-T257 PolarHBondContact O-N 2.88Å; N170-T257 PolarHBondContact O-OG1 3.24Å
171L95.4Very high96.4Very high34 Ų3442.6 Ų42.618%0.17822%0.221CC..  trans-93.3-13.1166.1-54.6-163.5000111E169 H175 K193 T257E169-L171 HydrophobicContact CG-CD2 3.93Å; E169-L171 HydrophobicContact CG-CG 4.18Å; L171-H175 HydrophobicContact CB-CB 4.03Å; L171-H175 PolarHBondContact O-CE1 3.4Å; L171-H175 PolarHBondContact O-ND1 3.37Å; L171-K193 HydrophobicContact CB-CB 4.35Å; L171-K193 HydrophobicContact CB-CD 3.85Å; L171-K193 HydrophobicContact CD1-CD 3.55Å; L171-K193 VanDerWaalsContact CD1-NZ 3.29Å; L171-K193 HydrophobicContact CG-CD 3.83Å; L171-K193 PolarHBondContact N-O 2.79Å; L171-T257 HydrophobicContact CD2-CG2 4.41Å
172G94.7Very high96.3Very high1 Ų147.5 Ų47.51%0.0124%0.242CC..BIsolated β-bridgetrans85.8-175.2171.700000114.8N170 K174 S192 K193N170-G172 PolarHBondContact OD1-N 3.02Å; G172-K174 VanDerWaalsContact C-N 3.3Å; G172-K174 PolarHBondContact O-N 3.45Å; G172-S192 WeakPolarHBondContact CA-OG 3.48Å; G172-S192 PolarHBondContact N-OG 3.1Å; G172-K193 PolarHBondContact N-O 2.95Å; G172-K193 PolarHBondContact O-N 2.8Å
173P94.8Very high96.1Very high61 Ų6153.9 Ų53.940%0.39627%0.27SS..THydrogen-bonded Turntrans-76.4-11.4-16728.5-35.9000115.2I190 W191P173-I190 HydrophobicContact CB-CG2 3.77Å; P173-I190 HydrophobicContact CG-CG2 3.93Å; P173-W191 WeakPolarHBondContact CA-O 3.48Å; P173-W191 VanDerWaalsContact CB-O 3.29Å; P173-W191 WeakPolarHBondContact CB-O 3.31Å
174K95Very high95.8Very high192 Ų19256 Ų5684%0.83528%0.281SS*.THydrogen-bonded Turntrans-89.4-12.6-178.1-63.6-175.6-179.9178.90113.3G172G172-K174 VanDerWaalsContact C-N 3.3Å; G172-K174 PolarHBondContact O-N 3.45Å
175H94.4Very high95.8Very high86 Ų8656.6 Ų56.640%0.39828%0.28SS..SBendtrans-89.4113.5-178-7785.2000110.1L171 W180 K193L171-H175 HydrophobicContact CB-CB 4.03Å; L171-H175 PolarHBondContact O-CE1 3.4Å; L171-H175 PolarHBondContact O-ND1 3.37Å; H175-W180 WeakPolarHBondContact O-CH2 3.46Å; H175-W180 WeakPolarHBondContact O-CZ2 3.41Å; H175-K193 HydrophobicContact CB-CB 3.81Å; H175-K193 HydrophobicContact CB-CD 4.2Å; H175-K193 HydrophobicContact CB-CG 4.22Å
176N95Very high95.7Very high55 Ų5562.2 Ų62.229%0.29432%0.315SS..  trans58.248.6176.8-64.988.8000115.7E178 R179 W180N176-E178 WeakPolarHBondContact CA-OE1 3.32Å; N176-E178 WeakPolarHBondContact CA-OE2 3.27Å; N176-E178 VanDerWaalsContact CB-OE1 3.29Å; N176-E178 WeakPolarHBondContact CB-OE1 3.45Å; N176-E178 PolarHBondContact ND2-OE1 2.96Å; N176-E178 PolarHBondContact O-N 2.98Å; N176-E178 VanDerWaalsContact O-N 3.1Å; N176-R179 HydrophobicContact CB-CG 4.12Å; N176-R179 PolarHBondContact ND2-NH2 3.25Å; N176-R179 VanDerWaalsContact O-CB 3.31Å; N176-R179 WeakPolarHBondContact O-CB 3.4Å; N176-R179 PolarHBondContact O-N 2.62Å; N176-W180 WeakPolarHBondContact O-CH2 3.36Å; N176-W180 VanDerWaalsContact O-CZ3 3.3Å; N176-W180 WeakPolarHBondContact O-CZ3 3.5Å
177P96.2Very high95.7Very high69 Ų6963.3 Ų63.345%0.44832%0.319SS..G310 helixtrans-62.3-19.8-177.629.4-36.7000114.3R179 W180P177-R179 PolarHBondContact O-N 3.31Å; P177-R179 VanDerWaalsContact O-N 3.1Å; P177-W180 WeakPolarHBondContact O-CB 3.37Å; P177-W180 VanDerWaalsContact O-CG 3.31Å; P177-W180 PolarHBondContact O-N 2.82Å; P177-W180 VanDerWaalsContact O-N 3.1Å
178E95.9Very high95.5Very high121 Ų12168.9 Ų68.957%0.56536%0.356SS*.G310 helixtrans-60.3-17.4172.973.6-72.5169.100113.5N176N176-E178 WeakPolarHBondContact CA-OE1 3.32Å; N176-E178 WeakPolarHBondContact CA-OE2 3.27Å; N176-E178 VanDerWaalsContact CB-OE1 3.29Å; N176-E178 WeakPolarHBondContact CB-OE1 3.45Å; N176-E178 PolarHBondContact ND2-OE1 2.96Å; N176-E178 PolarHBondContact O-N 2.98Å; N176-E178 VanDerWaalsContact O-N 3.1Å
179R96Very high95.4Very high42 Ų4270.3 Ų70.316%0.15836%0.363CS..G310 helixtrans-85.2-7.6178.8-63.8-177.6-171-176.80.9113.4N176 P177 K229 E233 L234N176-R179 HydrophobicContact CB-CG 4.12Å; N176-R179 PolarHBondContact ND2-NH2 3.25Å; N176-R179 VanDerWaalsContact O-CB 3.31Å; N176-R179 WeakPolarHBondContact O-CB 3.4Å; N176-R179 PolarHBondContact O-N 2.62Å; P177-R179 PolarHBondContact O-N 3.31Å; P177-R179 VanDerWaalsContact O-N 3.1Å; R179-K229 HydrophobicContact CB-CB 4.4Å; R179-K229 WeakPolarHBondContact CB-O 3.26Å; R179-K229 WeakPolarHBondContact CD-O 3.26Å; R179-K229 WeakPolarHBondContact O-CD 3.36Å; R179-E233 IonicContact NH1-OE2 3.76Å; R179-E233 PolarHBondContact NH1-OE2 3.38Å; R179-L234 HydrophobicContact CB-CD1 4.26Å
180W96.6Very high95.3Very high39 Ų3973.9 Ų73.915%0.14838%0.382CS..SBendtrans-68.5146-175.2-60.8170.3000110.1H175 N176 P177 I182 W191 K193 K229 L234H175-W180 WeakPolarHBondContact O-CH2 3.46Å; H175-W180 WeakPolarHBondContact O-CZ2 3.41Å; N176-W180 WeakPolarHBondContact O-CH2 3.36Å; N176-W180 VanDerWaalsContact O-CZ3 3.3Å; N176-W180 WeakPolarHBondContact O-CZ3 3.5Å; P177-W180 WeakPolarHBondContact O-CB 3.37Å; P177-W180 VanDerWaalsContact O-CG 3.31Å; P177-W180 PolarHBondContact O-N 2.82Å; P177-W180 VanDerWaalsContact O-N 3.1Å; W180-I182 PolarHBondContact O-N 3.2Å; W180-W191 HydrophobicContact CB-CG 4.22Å; W180-W191 AromaticContact CD1-CD1 3.82Å; W180-W191 AromaticContact CD1-CG 3.92Å; W180-W191 HydrophobicContact CD2-CB 3.7Å; W180-W191 HydrophobicContact CD2-CG 4.14Å; W180-W191 HydrophobicContact CE3-CB 4.44Å; W180-W191 HydrophobicContact CG-CB 3.78Å; W180-W191 AromaticContact CG-CD1 3.9Å; W180-W191 AromaticContact CG-CG 3.81Å; W180-W191 HydrophobicContact CG-CG 3.81Å; W180-W191 HydrophobicContact CZ2-CB 4.22Å; W180-K193 HydrophobicContact CH2-CB 3.95Å; W180-K229 PolarHBondContact O-NZ 2.77Å; W180-L234 HydrophobicContact CD2-CD2 4.29Å; W180-L234 HydrophobicContact CE3-CD1 3.54Å; W180-L234 HydrophobicContact CE3-CD2 3.35Å; W180-L234 HydrophobicContact CE3-CG 3.99Å; W180-L234 HydrophobicContact CH2-CD2 3.5Å; W180-L234 VanDerWaalsContact CH2-CD2 3.5Å; W180-L234 HydrophobicContact CZ2-CD2 4.34Å; W180-L234 HydrophobicContact CZ3-CD1 3.59Å; W180-L234 HydrophobicContact CZ3-CD2 2.95Å; W180-L234 HydrophobicContact CZ3-CG 3.63Å
181P96.6Very high95.3Very high13 Ų1375.2 Ų75.28%0.08439%0.387CS..  trans-54.7136.6170.9-28.838.5000111.1K183 W191 V220 L221P181-K183 VanDerWaalsContact C-N 3.31Å; P181-W191 HydrophobicContact CB-CH2 4.46Å; P181-W191 HydrophobicContact CB-CZ2 4.12Å; P181-W191 HydrophobicContact CG-CH2 3.54Å; P181-W191 HydrophobicContact CG-CZ2 3.59Å; P181-W191 HydrophobicContact CG-CZ3 4.15Å; P181-V220 HydrophobicContact CB-CB 4.05Å; P181-V220 HydrophobicContact CB-CG2 3.88Å; P181-V220 HydrophobicContact CG-CB 4.47Å; P181-V220 HydrophobicContact CG-CG2 3.88Å; P181-L221 HydrophobicContact CG-CD2 3.6Å; P181-L221 HydrophobicContact CG-CG 4.27Å
182I95.1Very high95.4Very high129 Ų12973.8 Ų73.866%0.66238%0.379SS*.SBendtrans-73.1-33.4176.6-62.3163.1000109.5W180 N184 E224W180-I182 PolarHBondContact O-N 3.2Å; I182-N184 PolarHBondContact O-N 3.13Å; I182-E224 WeakPolarHBondContact CB-OE1 3.12Å; I182-E224 PolarHBondContact N-OE1 3.49Å
183K92.9Very high95.4Very high138 Ų13874.4 Ų74.460%0.638%0.382SS*.SBendtrans-71.7126.7-179.9-172.7172.4175.2-172.20110.7P181 V220P181-K183 VanDerWaalsContact C-N 3.31Å; K183-V220 HydrophobicContact CB-CG1 4.16Å; K183-V220 HydrophobicContact CD-CG1 4.12Å; K183-V220 HydrophobicContact CG-CG1 4.14Å
184N91.1Very high95.5Very high144 Ų14471.5 Ų71.577%0.7736%0.363SS*.PPolyproline II helixtrans-69.2145.8173.7-68.7-30.4000111.6I182I182-N184 PolarHBondContact O-N 3.13Å
185L97Very high95.5Very high28 Ų2863.2 Ų63.215%0.14733%0.329CS..PPolyproline II helixtrans-86.3162.9170.5-62.9169.5000110.8F187 I189 W191 E216 I217 V220L185-F187 HydrophobicContact CB-CE1 4.35Å; L185-F187 HydrophobicContact CB-CZ 4.41Å; L185-F187 HydrophobicContact CD1-CE2 4Å; L185-F187 HydrophobicContact CD1-CZ 3.99Å; L185-F187 PolarHBondContact O-N 2.96Å; L185-I189 HydrophobicContact CD1-CB 3.93Å; L185-I189 HydrophobicContact CD1-CG2 3.49Å; L185-I189 VanDerWaalsContact CD1-CG2 3.49Å; L185-W191 HydrophobicContact CD1-CZ2 4.09Å; L185-E216 WeakPolarHBondContact CA-OE1 3.36Å; L185-E216 HydrophobicContact CD2-CB 4.22Å; L185-E216 HydrophobicContact CD2-CG 3.74Å; L185-I217 HydrophobicContact CD1-CG1 3.73Å; L185-I217 HydrophobicContact CD2-CG1 4.26Å; L185-V220 HydrophobicContact CD2-CB 4.5Å; L185-V220 HydrophobicContact CD2-CG1 3.76Å; L185-V220 HydrophobicContact CD2-CG2 3.85Å
186T96.9Very high95.6Very high119 Ų11960.2 Ų60.273%0.7332%0.315SS*.SBendtrans-72.8-5.1174.164.30000114.1E216T186-E216 WeakPolarHBondContact CG2-OE1 3.38Å; T186-E216 PolarHBondContact N-OE1 3.49Å; T186-E216 PolarHBondContact OG1-OE2 2.87Å
187F96.8Very high95.7Very high26 Ų2659.5 Ų59.511%0.11431%0.308CS..SBendtrans-140.7155.5-179.254.5-87.9000110.8L185 I189 K213 E216 I217 L245L185-F187 HydrophobicContact CB-CE1 4.35Å; L185-F187 HydrophobicContact CB-CZ 4.41Å; L185-F187 HydrophobicContact CD1-CE2 4Å; L185-F187 HydrophobicContact CD1-CZ 3.99Å; L185-F187 PolarHBondContact O-N 2.96Å; F187-I189 HydrophobicContact CE2-CB 4.43Å; F187-I189 HydrophobicContact CE2-CD1 4.19Å; F187-K213 HydrophobicContact CD1-CB 4.22Å; F187-K213 HydrophobicContact CD1-CD 4.07Å; F187-K213 HydrophobicContact CD1-CG 3.76Å; F187-K213 HydrophobicContact CD2-CD 4.2Å; F187-K213 HydrophobicContact CE1-CB 3.5Å; F187-K213 HydrophobicContact CE1-CD 4.18Å; F187-K213 HydrophobicContact CE1-CG 3.54Å; F187-K213 HydrophobicContact CE2-CB 4.05Å; F187-K213 HydrophobicContact CE2-CD 4.29Å; F187-K213 HydrophobicContact CE2-CG 4.39Å; F187-K213 HydrophobicContact CG-CD 4.1Å; F187-K213 HydrophobicContact CG-CG 4.31Å; F187-K213 HydrophobicContact CZ-CB 3.4Å; F187-K213 VanDerWaalsContact CZ-CB 3.4Å; F187-K213 HydrophobicContact CZ-CD 4.28Å; F187-K213 HydrophobicContact CZ-CG 3.89Å; F187-K213 WeakPolarHBondContact CZ-O 3.35Å; F187-E216 HydrophobicContact CE1-CB 4.21Å; F187-E216 WeakPolarHBondContact CE1-OE2 3.43Å; F187-I217 HydrophobicContact CE2-CD1 4.11Å; F187-I217 HydrophobicContact CE2-CG1 4.33Å; F187-I217 HydrophobicContact CZ-CD1 4.02Å; F187-I217 HydrophobicContact CZ-CG1 3.91Å; F187-L245 HydrophobicContact CD2-CD2 4.46Å; F187-L245 HydrophobicContact CE2-CD2 3.96Å
188P95.1Very high95.8Very high124 Ų12456.2 Ų56.281%0.80529%0.287SS*.  trans-66.3136.1175.727.8-34.5000110.8
189I95.3Very high95.9Very high35 Ų3550.5 Ų50.518%0.17926%0.26CS..  trans-137.7148.7174-160.768.2000109.9L185 F187 W191 I217 T238 N242 L245L185-I189 HydrophobicContact CD1-CB 3.93Å; L185-I189 HydrophobicContact CD1-CG2 3.49Å; L185-I189 VanDerWaalsContact CD1-CG2 3.49Å; F187-I189 HydrophobicContact CE2-CB 4.43Å; F187-I189 HydrophobicContact CE2-CD1 4.19Å; I189-W191 HydrophobicContact CG2-CD2 4.37Å; I189-W191 HydrophobicContact CG2-CG 4.46Å; I189-W191 HydrophobicContact CG2-CZ2 4.33Å; I189-I217 HydrophobicContact CD1-CD1 4.14Å; I189-I217 HydrophobicContact CG1-CD1 4.42Å; I189-T238 HydrophobicContact CD1-CG2 4.06Å; I189-T238 HydrophobicContact CG1-CG2 3.56Å; I189-N242 HydrophobicContact CD1-CB 3.63Å; I189-N242 VanDerWaalsContact CD1-OD1 3.3Å; I189-N242 WeakPolarHBondContact CD1-OD1 3.24Å; I189-L245 HydrophobicContact CD1-CD1 3.87Å; I189-L245 HydrophobicContact CD1-CD2 4.36Å; I189-L245 HydrophobicContact CD1-CG 4.27Å
190I95.2Very high96Very high94 Ų9448.5 Ų48.548%0.48225%0.253SS..  trans-101.3104.6164.9-58.8176.8000107.4P173 S192 N242P173-I190 HydrophobicContact CB-CG2 3.77Å; P173-I190 HydrophobicContact CG-CG2 3.93Å; I190-S192 PolarHBondContact O-N 3.12Å; I190-N242 PolarHBondContact N-OD1 2.92Å; I190-N242 PolarHBondContact O-ND2 3.36Å
191W96.3Very high96.1Very high30 Ų3048 Ų4811%0.11425%0.251CS..  trans-58.4133.2170.8-69.1105.4000109.8P173 W180 P181 L185 I189 I217 V220 L221 L234 T238P173-W191 WeakPolarHBondContact CA-O 3.48Å; P173-W191 VanDerWaalsContact CB-O 3.29Å; P173-W191 WeakPolarHBondContact CB-O 3.31Å; W180-W191 HydrophobicContact CB-CG 4.22Å; W180-W191 AromaticContact CD1-CD1 3.82Å; W180-W191 AromaticContact CD1-CG 3.92Å; W180-W191 HydrophobicContact CD2-CB 3.7Å; W180-W191 HydrophobicContact CD2-CG 4.14Å; W180-W191 HydrophobicContact CE3-CB 4.44Å; W180-W191 HydrophobicContact CG-CB 3.78Å; W180-W191 AromaticContact CG-CD1 3.9Å; W180-W191 AromaticContact CG-CG 3.81Å; W180-W191 HydrophobicContact CG-CG 3.81Å; W180-W191 HydrophobicContact CZ2-CB 4.22Å; P181-W191 HydrophobicContact CB-CH2 4.46Å; P181-W191 HydrophobicContact CB-CZ2 4.12Å; P181-W191 HydrophobicContact CG-CH2 3.54Å; P181-W191 HydrophobicContact CG-CZ2 3.59Å; P181-W191 HydrophobicContact CG-CZ3 4.15Å; L185-W191 HydrophobicContact CD1-CZ2 4.09Å; I189-W191 HydrophobicContact CG2-CD2 4.37Å; I189-W191 HydrophobicContact CG2-CG 4.46Å; I189-W191 HydrophobicContact CG2-CZ2 4.33Å; W191-I217 HydrophobicContact CH2-CG2 3.84Å; W191-I217 HydrophobicContact CZ3-CG2 3.89Å; W191-V220 HydrophobicContact CH2-CG2 3.86Å; W191-V220 HydrophobicContact CZ2-CG2 4.11Å; W191-L221 HydrophobicContact CH2-CD2 4.42Å; W191-L221 HydrophobicContact CH2-CG 4.48Å; W191-L221 HydrophobicContact CZ3-CD2 4.17Å; W191-L221 HydrophobicContact CZ3-CG 4.45Å; W191-L234 HydrophobicContact CE3-CD2 4.4Å; W191-T238 HydrophobicContact CE3-CG2 3.95Å; W191-T238 HydrophobicContact CZ3-CG2 4.25Å
192S95.8Very high96.2Very high3 Ų350.7 Ų50.72%0.02126%0.259CS..  trans-129131.6176.6-176.60000111.3N170 G172 I190 L234 S237 T238N170-S192 PolarHBondContact OD1-OG 2.67Å; G172-S192 WeakPolarHBondContact CA-OG 3.48Å; G172-S192 PolarHBondContact N-OG 3.1Å; I190-S192 PolarHBondContact O-N 3.12Å; S192-L234 WeakPolarHBondContact O-CD2 3.29Å; S192-S237 WeakPolarHBondContact O-CB 3.26Å; S192-S237 PolarHBondContact O-OG 3.09Å; S192-T238 PolarHBondContact N-OG1 2.81Å; S192-T238 VanDerWaalsContact N-OG1 3.14Å; S192-T238 PolarHBondContact O-OG1 3.22Å
193K96.5Very high96.4Very high14 Ų1447.5 Ų47.56%0.06124%0.243CC..BIsolated β-bridgetrans-76.8138.7169.3-164.3-101.4172.9-151.80110.4E169 L171 G172 H175 W180 E233E169-K193 IonicContact OE2-NZ 3.7Å; E169-K193 PolarHBondContact OE2-NZ 3.47Å; L171-K193 HydrophobicContact CB-CB 4.35Å; L171-K193 HydrophobicContact CB-CD 3.85Å; L171-K193 HydrophobicContact CD1-CD 3.55Å; L171-K193 VanDerWaalsContact CD1-NZ 3.29Å; L171-K193 HydrophobicContact CG-CD 3.83Å; L171-K193 PolarHBondContact N-O 2.79Å; G172-K193 PolarHBondContact N-O 2.95Å; G172-K193 PolarHBondContact O-N 2.8Å; H175-K193 HydrophobicContact CB-CB 3.81Å; H175-K193 HydrophobicContact CB-CD 4.2Å; H175-K193 HydrophobicContact CB-CG 4.22Å; W180-K193 HydrophobicContact CH2-CB 3.95Å; K193-E233 CarbonylContact C-O 3.55Å; K193-E233 WeakPolarHBondContact CA-O 3.13Å; K193-E233 WeakPolarHBondContact CE-OE2 2.98Å
194G96.4Very high96.6Very high0 Ų040.9 Ų40.90%022%0.215CC..  trans-143.3-152.716900000111.9E169 E233 S237E169-G194 VanDerWaalsContact O-CA 3.3Å; E169-G194 WeakPolarHBondContact O-CA 3.42Å; G194-E233 PolarHBondContact N-O 2.79Å; G194-E233 WeakPolarHBondContact O-CB 3.39Å; G194-S237 PolarHBondContact N-OG 3.26Å
195S95.3Very high97Very high18 Ų1834 Ų3413%0.12618%0.178CC..  trans-108.5144.3173.4-173.50000107.4E169 Y197E169-S195 WeakPolarHBondContact OE2-CB 3.36Å; E169-S195 PolarHBondContact OE2-N 2.83Å; E169-S195 VanDerWaalsContact OE2-N 3.08Å; S195-Y197 PolarHBondContact O-N 2.89Å; S195-Y197 PolarHBondContact OG-N 3.24Å
196F95.7Very high97Very high23 Ų2337.6 Ų37.610%0.10119%0.194CC..SBendtrans-59.5-27.6171.2175.1-129.2000112.3V117 F121 N141 D232V117-F196 HydrophobicContact CG1-CD1 4.07Å; V117-F196 HydrophobicContact CG1-CE1 3.91Å; V117-F196 HydrophobicContact CG1-CG 4.42Å; V117-F196 HydrophobicContact CG1-CZ 4.12Å; V117-F196 WeakPolarHBondContact O-CZ 3.45Å; F121-F196 HydrophobicContact CB-CE2 3.74Å; F121-F196 HydrophobicContact CB-CZ 3.71Å; F121-F196 HydrophobicContact CG-CE2 4.39Å; N141-F196 WeakPolarHBondContact ND2-CD1 3.4Å; N141-F196 WeakPolarHBondContact ND2-CE1 3.47Å; N141-F196 PolarHBondContact ND2-O 2.85Å; F196-D232 WeakPolarHBondContact CA-O 3.49Å; F196-D232 HydrophobicContact CB-CB 4.04Å; F196-D232 HydrophobicContact CD2-CB 3.54Å; F196-D232 HydrophobicContact CE2-CB 4.1Å; F196-D232 HydrophobicContact CG-CB 3.89Å
197Y97.4Very high97.1Very high41 Ų4133.2 Ų33.216%0.16117%0.165CC..  trans-79.2122.2-174.3-75.4-49.7000111.5N141 S143 E146 S195 Y266 R269N141-Y197 WeakPolarHBondContact OD1-CA 3.39Å; S143-Y197 WeakPolarHBondContact CB-OH 3.35Å; S143-Y197 PolarHBondContact OG-OH 3.28Å; E146-Y197 VanDerWaalsContact OE2-CE1 3.26Å; E146-Y197 WeakPolarHBondContact OE2-CE1 3.48Å; S195-Y197 PolarHBondContact O-N 2.89Å; S195-Y197 PolarHBondContact OG-N 3.24Å; Y197-Y266 VanDerWaalsContact C-OH 3.29Å; Y197-Y266 WeakPolarHBondContact CB-OH 3.33Å; Y197-Y266 WeakPolarHBondContact O-CE2 3.23Å; Y197-Y266 PolarHBondContact O-OH 3.37Å; Y197-R269 HydrophobicContact CD1-CG 4.27Å; Y197-R269 HydrophobicContact CD2-CB 4.39Å; Y197-R269 HydrophobicContact CD2-CG 3.85Å; Y197-R269 HydrophobicContact CG-CG 3.7Å
198M97.8Very high97.2Very high0 Ų032.3 Ų32.30%016%0.16CC..  trans-147.8174.6-170.953.4178.8168.800113F121 N141 I167 V168 L200 F236 R269F121-M198 HydrophobicContact CD1-CE 3.59Å; F121-M198 HydrophobicContact CD2-CE 3.72Å; F121-M198 HydrophobicContact CE1-CE 3.32Å; F121-M198 HydrophobicContact CE2-CE 3.43Å; F121-M198 VanDerWaalsContact CE2-CE 3.43Å; F121-M198 HydrophobicContact CG-CE 3.78Å; F121-M198 HydrophobicContact CZ-CE 3.22Å; F121-M198 HydrophobicContact CZ-SD 4.49Å; N141-M198 WeakPolarHBondContact OD1-CG 3.1Å; N141-M198 PolarHBondContact OD1-N 3.18Å; N141-M198 PolarHBondContact OD1-O 2.81Å; I167-M198 CarbonylContact O-C 3.55Å; I167-M198 WeakPolarHBondContact O-CA 3.33Å; I167-M198 WeakPolarHBondContact O-CB 3.48Å; V168-M198 HydrophobicContact CG2-CB 4.28Å; M198-L200 HydrophobicContact CB-CD2 4.36Å; M198-L200 HydrophobicContact CB-CG 4.44Å; M198-L200 HydrophobicContact CE-CD1 3.78Å; M198-L200 HydrophobicContact CE-CG 4.33Å; M198-L200 HydrophobicContact CG-CD2 4.45Å; M198-L200 HydrophobicContact CG-CG 4.08Å; M198-L200 HydrophobicContact SD-CD1 3.27Å; M198-L200 WeakPolarHBondContact SD-CD1 3.36Å; M198-L200 HydrophobicContact SD-CD2 3.67Å; M198-L200 HydrophobicContact SD-CG 3.35Å; M198-L200 WeakPolarHBondContact SD-CG 3.45Å; M198-F236 HydrophobicContact CE-CD1 4.26Å; M198-F236 HydrophobicContact CE-CD2 3.28Å; M198-F236 HydrophobicContact CE-CE1 4.19Å; M198-F236 HydrophobicContact CE-CE2 3.18Å; M198-F236 HydrophobicContact CE-CG 3.84Å; M198-F236 HydrophobicContact CE-CZ 3.68Å; M198-F236 HydrophobicContact SD-CB 3.85Å; M198-F236 HydrophobicContact SD-CD1 4Å; M198-F236 HydrophobicContact SD-CD2 3.49Å; M198-F236 WeakPolarHBondContact SD-CD2 3.44Å; M198-F236 HydrophobicContact SD-CE1 4.45Å; M198-F236 HydrophobicContact SD-CE2 4.01Å; M198-F236 HydrophobicContact SD-CG 3.48Å; M198-F236 WeakPolarHBondContact SD-CG 3.35Å; M198-F236 HydrophobicContact SD-CZ 4.46Å; M198-R269 PolarHBondContact O-NH1 2.89Å; M198-R269 PolarHBondContact O-NH2 3.26Å
199A98.5Very high97.3Very high0 Ų029 Ų290%013%0.134CC..EExtended strand (participates in β ladder)trans-131.7118.415700000108Y138 I139 L140 L159 I167Y138-A199 HydrophobicContact CD1-CB 4.28Å; I139-A199 CarbonylContact O-C 3.43Å; I139-A199 VanDerWaalsContact O-CA 3.28Å; I139-A199 WeakPolarHBondContact O-CA 3.35Å; L140-A199 HydrophobicContact CD2-CB 4.2Å; L140-A199 HydrophobicContact CG-CB 3.92Å; L159-A199 HydrophobicContact CD2-CB 4.16Å; I167-A199 HydrophobicContact CB-CB 3.91Å; I167-A199 HydrophobicContact CD1-CB 3.82Å; I167-A199 HydrophobicContact CG1-CB 4.07Å; I167-A199 PolarHBondContact N-O 2.85Å; I167-A199 PolarHBondContact O-N 2.88Å
200L98.7Very high97.4Very high0 Ų031.9 Ų31.90%015%0.15CC..EExtended strand (participates in β ladder)trans-113.8143.1-176.6-59.5179.6000111F121 Y138 I139 N166 V168 M198 F204 V205 F236F121-L200 HydrophobicContact CE1-CD1 4.23Å; F121-L200 HydrophobicContact CZ-CD1 4.09Å; Y138-L200 CarbonylContact C-O 3.59Å; Y138-L200 WeakPolarHBondContact CA-O 3.14Å; Y138-L200 VanDerWaalsContact CD1-C 3.43Å; Y138-L200 WeakPolarHBondContact CD1-O 3.37Å; I139-L200 HydrophobicContact CG2-CB 3.88Å; I139-L200 PolarHBondContact N-O 3.2Å; I139-L200 PolarHBondContact O-N 2.8Å; N166-L200 HydrophobicContact CB-CD2 4.13Å; V168-L200 HydrophobicContact CG2-CD2 3.71Å; M198-L200 HydrophobicContact CB-CD2 4.36Å; M198-L200 HydrophobicContact CB-CG 4.44Å; M198-L200 HydrophobicContact CE-CD1 3.78Å; M198-L200 HydrophobicContact CE-CG 4.33Å; M198-L200 HydrophobicContact CG-CD2 4.45Å; M198-L200 HydrophobicContact CG-CG 4.08Å; M198-L200 HydrophobicContact SD-CD1 3.27Å; M198-L200 WeakPolarHBondContact SD-CD1 3.36Å; M198-L200 HydrophobicContact SD-CD2 3.67Å; M198-L200 HydrophobicContact SD-CG 3.35Å; M198-L200 WeakPolarHBondContact SD-CG 3.45Å; L200-F204 HydrophobicContact CB-CD1 4.26Å; L200-F204 HydrophobicContact CD1-CD1 3.79Å; L200-F204 HydrophobicContact CD1-CE1 3.89Å; L200-F204 HydrophobicContact CD2-CD1 4Å; L200-F204 HydrophobicContact CD2-CE1 4.01Å; L200-F204 HydrophobicContact CG-CD1 4.24Å; L200-F204 HydrophobicContact CG-CE1 4.5Å; L200-V205 HydrophobicContact CB-CG2 4.47Å; L200-F236 HydrophobicContact CD1-CD1 3.69Å; L200-F236 HydrophobicContact CD1-CE1 3.7Å; L200-F236 HydrophobicContact CD1-CG 4.34Å; L200-F236 HydrophobicContact CD1-CZ 4.39Å
201R98.4Very high97.6Very high30 Ų3029.2 Ų29.211%0.11314%0.137CC..EExtended strand (participates in β ladder)trans-63.6153.2169.4-73.7173.449.3176.33.2112K137 Y138 G164 N166 D203 F204 V205 H358K137-R201 WeakPolarHBondContact O-CA 3.29Å; Y138-R201 HydrophobicContact CD1-CG 4.25Å; Y138-R201 HydrophobicContact CE1-CB 4.45Å; Y138-R201 HydrophobicContact CE1-CG 3.55Å; Y138-R201 HydrophobicContact CE2-CG 3.94Å; Y138-R201 WeakPolarHBondContact OH-CG 3.35Å; G164-R201 WeakPolarHBondContact O-CD 3.39Å; G164-R201 PolarHBondContact O-NH1 3.12Å; N166-R201 PolarHBondContact OD1-N 3.38Å; R201-D203 VanDerWaalsContact C-N 3.32Å; R201-D203 WeakPolarHBondContact CB-OD1 3.26Å; R201-D203 IonicContact CZ-OD1 3.51Å; R201-D203 IonicContact CZ-OD2 3.35Å; R201-D203 IonicContact NE-OD1 2.88Å; R201-D203 PolarHBondContact NE-OD1 3.06Å; R201-D203 IonicContact NE-OD2 3.3Å; R201-D203 PolarHBondContact NE-OD2 3.24Å; R201-D203 IonicContact NH2-OD1 3.57Å; R201-D203 IonicContact NH2-OD2 2.66Å; R201-D203 PolarHBondContact NH2-OD2 3.28Å; R201-D203 PolarHBondContact O-N 2.88Å; R201-F204 HydrophobicContact CB-CB 4.23Å; R201-F204 WeakPolarHBondContact O-CB 3.18Å; R201-F204 PolarHBondContact O-N 3.06Å; R201-V205 PolarHBondContact O-N 3.32Å; R201-V205 VanDerWaalsContact O-N 3.14Å; R201-H358 VanDerWaalsContact CZ-OXT 3.25Å; R201-H358 PolarHBondContact NH1-OXT 3.49Å; R201-H358 PolarHBondContact NH2-OXT 2.96Å
202R98.5Very high97.7Very high68 Ų6832.6 Ų32.626%0.25716%0.163SC..Hα-helixtrans-59.4-40.5174.8-172.2172.4-179-68.9-3113.4I129 W136 K137 V205 H206I129-R202 HydrophobicContact CD1-CG 3.36Å; I129-R202 VanDerWaalsContact CD1-CZ 3.49Å; I129-R202 PolarHBondContact O-NH2 2.8Å; W136-R202 HydrophobicContact CD2-CB 4.35Å; W136-R202 HydrophobicContact CD2-CG 4.17Å; W136-R202 HydrophobicContact CE3-CB 3.69Å; W136-R202 HydrophobicContact CE3-CG 3.98Å; W136-R202 HydrophobicContact CH2-CB 3.85Å; W136-R202 HydrophobicContact CH2-CG 3.69Å; W136-R202 HydrophobicContact CZ2-CB 4.48Å; W136-R202 HydrophobicContact CZ2-CG 3.88Å; W136-R202 HydrophobicContact CZ3-CB 3.42Å; W136-R202 VanDerWaalsContact CZ3-CB 3.42Å; W136-R202 HydrophobicContact CZ3-CG 3.76Å; W136-R202 WeakPolarHBondContact O-CD 3.2Å; K137-R202 PolarHBondContact O-N 3.43Å; R202-V205 WeakPolarHBondContact O-CB 3.49Å; R202-V205 PolarHBondContact O-N 3.34Å; R202-H206 PolarHBondContact O-N 3.46Å; R202-H206 VanDerWaalsContact O-N 3.09Å
203D98Very high97.8Very high62 Ų6236.5 Ų36.533%0.33218%0.179SC..Hα-helixtrans-73.7-28.6177.146.822.8000113.1R201 V205 H206 F207 P248R201-D203 VanDerWaalsContact C-N 3.32Å; R201-D203 WeakPolarHBondContact CB-OD1 3.26Å; R201-D203 IonicContact CZ-OD1 3.51Å; R201-D203 IonicContact CZ-OD2 3.35Å; R201-D203 IonicContact NE-OD1 2.88Å; R201-D203 PolarHBondContact NE-OD1 3.06Å; R201-D203 IonicContact NE-OD2 3.3Å; R201-D203 PolarHBondContact NE-OD2 3.24Å; R201-D203 IonicContact NH2-OD1 3.57Å; R201-D203 IonicContact NH2-OD2 2.66Å; R201-D203 PolarHBondContact NH2-OD2 3.28Å; R201-D203 PolarHBondContact O-N 2.88Å; D203-V205 VanDerWaalsContact C-N 3.28Å; D203-V205 PolarHBondContact O-N 3.19Å; D203-H206 CarbonylContact O-C 3.5Å; D203-H206 PolarHBondContact O-N 3.2Å; D203-F207 WeakPolarHBondContact O-CB 3.45Å; D203-F207 PolarHBondContact O-N 3.4Å; D203-P248 HydrophobicContact CB-CB 4.29Å; D203-P248 HydrophobicContact CB-CG 4.3Å; D203-P248 WeakPolarHBondContact OD1-CB 3.45Å
204F98.6Very high97.9Very high0 Ų035.9 Ų35.90%018%0.176CC..Hα-helixtrans-62.3-38.4167.4-174.1-80.1000111.3N166 L200 R201 F207 Y208 F236 L239 A247 P248N166-F204 VanDerWaalsContact ND2-CD2 3.28Å; N166-F204 WeakPolarHBondContact ND2-CD2 3.28Å; L200-F204 HydrophobicContact CB-CD1 4.26Å; L200-F204 HydrophobicContact CD1-CD1 3.79Å; L200-F204 HydrophobicContact CD1-CE1 3.89Å; L200-F204 HydrophobicContact CD2-CD1 4Å; L200-F204 HydrophobicContact CD2-CE1 4.01Å; L200-F204 HydrophobicContact CG-CD1 4.24Å; L200-F204 HydrophobicContact CG-CE1 4.5Å; R201-F204 HydrophobicContact CB-CB 4.23Å; R201-F204 WeakPolarHBondContact O-CB 3.18Å; R201-F204 PolarHBondContact O-N 3.06Å; F204-F207 WeakPolarHBondContact O-CB 3.21Å; F204-F207 PolarHBondContact O-N 2.72Å; F204-Y208 HydrophobicContact CD1-CD1 4.07Å; F204-Y208 HydrophobicContact CE1-CD1 4.06Å; F204-Y208 WeakPolarHBondContact O-CD1 3.24Å; F204-Y208 PolarHBondContact O-N 2.92Å; F204-Y208 VanDerWaalsContact O-N 3.09Å; F204-F236 AromaticContact CE1-CD1 3.86Å; F204-F236 HydrophobicContact CE1-CD1 3.86Å; F204-F236 HydrophobicContact CE1-CE1 4.32Å; F204-F236 HydrophobicContact CZ-CD1 4.49Å; F204-L239 HydrophobicContact CE1-CD1 4.4Å; F204-L239 HydrophobicContact CE2-CB 4.29Å; F204-L239 HydrophobicContact CZ-CB 3.69Å; F204-L239 HydrophobicContact CZ-CD1 4.14Å; F204-A247 HydrophobicContact CD2-CB 3.89Å; F204-A247 HydrophobicContact CE2-CB 3.6Å; F204-P248 WeakPolarHBondContact CD2-O 3.42Å
205V98.5Very high98Very high0 Ų039 Ų390%019%0.193CC..Hα-helixtrans-62.2-46173.1173.30000111.4A125 I129 W136 I139 L200 R201 R202 D203 F207 Y208 Q209A125-V205 HydrophobicContact CB-CG1 4.21Å; I129-V205 HydrophobicContact CB-CG1 4.23Å; I129-V205 HydrophobicContact CD1-CB 4.33Å; I129-V205 HydrophobicContact CD1-CG1 4.09Å; I129-V205 HydrophobicContact CG1-CG1 4.29Å; W136-V205 HydrophobicContact CH2-CB 4.06Å; W136-V205 HydrophobicContact CH2-CG1 4.4Å; W136-V205 HydrophobicContact CH2-CG2 3.8Å; W136-V205 HydrophobicContact CZ3-CG2 4.47Å; I139-V205 HydrophobicContact CG2-CG2 3.73Å; L200-V205 HydrophobicContact CB-CG2 4.47Å; R201-V205 PolarHBondContact O-N 3.32Å; R201-V205 VanDerWaalsContact O-N 3.14Å; R202-V205 WeakPolarHBondContact O-CB 3.49Å; R202-V205 PolarHBondContact O-N 3.34Å; D203-V205 VanDerWaalsContact C-N 3.28Å; D203-V205 PolarHBondContact O-N 3.19Å; V205-F207 VanDerWaalsContact C-N 3.3Å; V205-F207 PolarHBondContact O-N 2.81Å; V205-Y208 VanDerWaalsContact CA-CE1 3.45Å; V205-Y208 HydrophobicContact CB-CE1 3.99Å; V205-Y208 HydrophobicContact CG1-CE1 4Å; V205-Y208 HydrophobicContact CG2-CE1 3.95Å; V205-Q209 VanDerWaalsContact O-CG 3.3Å; V205-Q209 WeakPolarHBondContact O-CG 3.21Å; V205-Q209 PolarHBondContact O-N 3.38Å
206H98Very high98.2Very high103 Ų10340.4 Ų40.448%0.47720%0.198SC..Hα-helixtrans-61.5-39.2174.3-174.3-85000112.2R202 D203 Q209 N210R202-H206 PolarHBondContact O-N 3.46Å; R202-H206 VanDerWaalsContact O-N 3.09Å; D203-H206 CarbonylContact O-C 3.5Å; D203-H206 PolarHBondContact O-N 3.2Å; H206-Q209 PolarHBondContact O-N 3.17Å; H206-N210 PolarHBondContact CE1-ND2 3.3Å; H206-N210 PolarHBondContact NE2-ND2 2.99Å; H206-N210 PolarHBondContact O-N 2.91Å; H206-N210 PolarHBondContact O-ND2 3.32Å
207F98.5Very high98.3Very high27 Ų2739.3 Ų39.312%0.11819%0.193CC..Hα-helixtrans-58.8-55.9178.6169.3-92.3000111.1D203 F204 V205 Q209 N210 D211 A214 L245 A247 P248D203-F207 WeakPolarHBondContact O-CB 3.45Å; D203-F207 PolarHBondContact O-N 3.4Å; F204-F207 WeakPolarHBondContact O-CB 3.21Å; F204-F207 PolarHBondContact O-N 2.72Å; V205-F207 VanDerWaalsContact C-N 3.3Å; V205-F207 PolarHBondContact O-N 2.81Å; F207-Q209 PolarHBondContact O-N 2.81Å; F207-Q209 VanDerWaalsContact O-N 3.15Å; F207-N210 PolarHBondContact O-N 2.8Å; F207-N210 VanDerWaalsContact O-N 3.11Å; F207-D211 HydrophobicContact CD1-CB 4.48Å; F207-D211 HydrophobicContact CD2-CB 3.96Å; F207-D211 HydrophobicContact CE1-CB 4.18Å; F207-D211 HydrophobicContact CE2-CB 3.65Å; F207-D211 HydrophobicContact CG-CB 4.36Å; F207-D211 HydrophobicContact CZ-CB 3.75Å; F207-D211 WeakPolarHBondContact O-CB 3.32Å; F207-D211 PolarHBondContact O-N 3.36Å; F207-A214 HydrophobicContact CE1-CB 4.01Å; F207-L245 WeakPolarHBondContact CE2-O 3.48Å; F207-L245 HydrophobicContact CZ-CB 4.3Å; F207-L245 VanDerWaalsContact CZ-O 3.3Å; F207-L245 WeakPolarHBondContact CZ-O 3.37Å; F207-A247 HydrophobicContact CD1-CB 3.69Å; F207-A247 HydrophobicContact CE1-CB 3.46Å; F207-A247 VanDerWaalsContact CE1-CB 3.46Å; F207-A247 HydrophobicContact CE2-CB 4.46Å; F207-A247 HydrophobicContact CG-CB 4.32Å; F207-A247 HydrophobicContact CZ-CB 3.88Å; F207-P248 HydrophobicContact CB-CG 4.2Å
208Y98.2Very high98.3Very high6 Ų638.7 Ų38.72%0.02419%0.192CC..Hα-helixtrans-67.8-21.1-174.876.7-113.4000113.2L122 A125 F204 V205 N215 F235 F236L122-Y208 HydrophobicContact CD2-CD2 4.41Å; L122-Y208 HydrophobicContact CD2-CE2 3.66Å; A125-Y208 WeakPolarHBondContact CB-OH 3.42Å; F204-Y208 HydrophobicContact CD1-CD1 4.07Å; F204-Y208 HydrophobicContact CE1-CD1 4.06Å; F204-Y208 WeakPolarHBondContact O-CD1 3.24Å; F204-Y208 PolarHBondContact O-N 2.92Å; F204-Y208 VanDerWaalsContact O-N 3.09Å; V205-Y208 VanDerWaalsContact CA-CE1 3.45Å; V205-Y208 HydrophobicContact CB-CE1 3.99Å; V205-Y208 HydrophobicContact CG1-CE1 4Å; V205-Y208 HydrophobicContact CG2-CE1 3.95Å; Y208-N215 PolarHBondContact O-OD1 3.2Å; Y208-N215 VanDerWaalsContact O-OD1 3.11Å; Y208-F235 HydrophobicContact CD2-CE1 4.19Å; Y208-F235 HydrophobicContact CD2-CZ 4.34Å; Y208-F235 HydrophobicContact CG-CE1 4.21Å; Y208-F235 HydrophobicContact CG-CZ 4.37Å; Y208-F236 AromaticContact CD1-CE1 3.94Å; Y208-F236 HydrophobicContact CD1-CE1 3.94Å; Y208-F236 AromaticContact CE1-CE1 3.79Å; Y208-F236 HydrophobicContact CE1-CE1 3.79Å; Y208-F236 HydrophobicContact CE1-CZ 4.37Å
209Q97.8Very high98.4Very high55 Ų5540.5 Ų40.526%0.25721%0.211SC..Hα-helixtrans-75.8-29.4176.7-73176.8-32.600112.6V205 H206 F207 N215V205-Q209 VanDerWaalsContact O-CG 3.3Å; V205-Q209 WeakPolarHBondContact O-CG 3.21Å; V205-Q209 PolarHBondContact O-N 3.38Å; H206-Q209 PolarHBondContact O-N 3.17Å; F207-Q209 PolarHBondContact O-N 2.81Å; F207-Q209 VanDerWaalsContact O-N 3.15Å; Q209-N215 PolarHBondContact O-ND2 2.83Å; Q209-N215 VanDerWaalsContact O-ND2 3.12Å
210N98.2Very high98.3Very high96 Ų9640.7 Ų40.751%0.51321%0.212SC..Hα-helixtrans-115.2-24.6-169.9-65.3-76.9000113.6H206 F207 P212H206-N210 PolarHBondContact CE1-ND2 3.3Å; H206-N210 PolarHBondContact NE2-ND2 2.99Å; H206-N210 PolarHBondContact O-N 2.91Å; H206-N210 PolarHBondContact O-ND2 3.32Å; F207-N210 PolarHBondContact O-N 2.8Å; F207-N210 VanDerWaalsContact O-N 3.11Å; N210-P212 WeakPolarHBondContact O-CD 3.34Å
211D98.4Very high98.3Very high37 Ų3741 Ų4120%0.19821%0.214CC..  trans-71.4126-179.1179.4-96.8000111.2F207 K213 A214 N215F207-D211 HydrophobicContact CD1-CB 4.48Å; F207-D211 HydrophobicContact CD2-CB 3.96Å; F207-D211 HydrophobicContact CE1-CB 4.18Å; F207-D211 HydrophobicContact CE2-CB 3.65Å; F207-D211 HydrophobicContact CG-CB 4.36Å; F207-D211 HydrophobicContact CZ-CB 3.75Å; F207-D211 WeakPolarHBondContact O-CB 3.32Å; F207-D211 PolarHBondContact O-N 3.36Å; D211-K213 VanDerWaalsContact C-N 3.29Å; D211-K213 PolarHBondContact O-N 3.5Å; D211-K213 WeakPolarHBondContact OD1-CA 3.22Å; D211-K213 VanDerWaalsContact OD1-CB 3.24Å; D211-K213 WeakPolarHBondContact OD1-CB 3.48Å; D211-K213 PolarHBondContact OD1-N 3.4Å; D211-A214 HydrophobicContact CB-CB 4Å; D211-A214 PolarHBondContact O-N 3.01Å; D211-A214 PolarHBondContact OD1-N 2.9Å; D211-N215 WeakPolarHBondContact O-CB 3.42Å; D211-N215 PolarHBondContact O-N 3.3Å; D211-N215 PolarHBondContact O-ND2 3.34Å
212P98.3Very high98.3Very high101 Ų10144.6 Ų44.666%0.65623%0.231SC*.Hα-helixtrans-59.7-35.5-179-26.134.9000113.9N210 E216N210-P212 WeakPolarHBondContact O-CD 3.34Å; P212-E216 WeakPolarHBondContact O-CB 3.41Å; P212-E216 PolarHBondContact O-N 3.31Å
213K98.3Very high98.2Very high86 Ų8644.9 Ų44.937%0.37425%0.247SC..Hα-helixtrans-73.3-43.9-179.1-64.5-175.5-178.6172.70110.9F187 D211 N215 E216 I217 L245F187-K213 HydrophobicContact CD1-CB 4.22Å; F187-K213 HydrophobicContact CD1-CD 4.07Å; F187-K213 HydrophobicContact CD1-CG 3.76Å; F187-K213 HydrophobicContact CD2-CD 4.2Å; F187-K213 HydrophobicContact CE1-CB 3.5Å; F187-K213 HydrophobicContact CE1-CD 4.18Å; F187-K213 HydrophobicContact CE1-CG 3.54Å; F187-K213 HydrophobicContact CE2-CB 4.05Å; F187-K213 HydrophobicContact CE2-CD 4.29Å; F187-K213 HydrophobicContact CE2-CG 4.39Å; F187-K213 HydrophobicContact CG-CD 4.1Å; F187-K213 HydrophobicContact CG-CG 4.31Å; F187-K213 HydrophobicContact CZ-CB 3.4Å; F187-K213 VanDerWaalsContact CZ-CB 3.4Å; F187-K213 HydrophobicContact CZ-CD 4.28Å; F187-K213 HydrophobicContact CZ-CG 3.89Å; F187-K213 WeakPolarHBondContact CZ-O 3.35Å; D211-K213 VanDerWaalsContact C-N 3.29Å; D211-K213 PolarHBondContact O-N 3.5Å; D211-K213 WeakPolarHBondContact OD1-CA 3.22Å; D211-K213 VanDerWaalsContact OD1-CB 3.24Å; D211-K213 WeakPolarHBondContact OD1-CB 3.48Å; D211-K213 PolarHBondContact OD1-N 3.4Å; K213-N215 VanDerWaalsContact C-N 3.29Å; K213-N215 PolarHBondContact O-N 3.08Å; K213-E216 PolarHBondContact O-N 2.9Å; K213-I217 WeakPolarHBondContact O-CG1 3.34Å; K213-I217 PolarHBondContact O-N 3.04Å; K213-L245 HydrophobicContact CB-CD2 3.95Å; K213-L245 HydrophobicContact CD-CD2 3.73Å
214A98.4Very high98.2Very high0 Ų043.3 Ų43.30%024%0.238CC..Hα-helixtrans-60.1-41.617400000111.6F207 D211 I217 L218 L239F207-A214 HydrophobicContact CE1-CB 4.01Å; D211-A214 HydrophobicContact CB-CB 4Å; D211-A214 PolarHBondContact O-N 3.01Å; D211-A214 PolarHBondContact OD1-N 2.9Å; A214-I217 PolarHBondContact O-N 3Å; A214-L218 PolarHBondContact O-N 3.22Å; A214-L239 HydrophobicContact CB-CD1 4.28Å; A214-L239 HydrophobicContact CB-CD2 3.94Å
215N98.4Very high98.1Very high65 Ų6548.5 Ų48.535%0.34826%0.261SS..Hα-helixtrans-65.2-36.2174.9-78.4-32.5000112.8Y208 Q209 D211 K213 L218 G219Y208-N215 PolarHBondContact O-OD1 3.2Å; Y208-N215 VanDerWaalsContact O-OD1 3.11Å; Q209-N215 PolarHBondContact O-ND2 2.83Å; Q209-N215 VanDerWaalsContact O-ND2 3.12Å; D211-N215 WeakPolarHBondContact O-CB 3.42Å; D211-N215 PolarHBondContact O-N 3.3Å; D211-N215 PolarHBondContact O-ND2 3.34Å; K213-N215 VanDerWaalsContact C-N 3.29Å; K213-N215 PolarHBondContact O-N 3.08Å; N215-L218 PolarHBondContact O-N 2.9Å; N215-G219 PolarHBondContact O-N 3.46Å
216E98.5Very high98Very high49 Ų4954.7 Ų54.723%0.22929%0.294CS..Hα-helixtrans-66.3-44.2173.9-161.5-173.9155.700112L185 T186 F187 P212 K213 L218 G219 V220L185-E216 WeakPolarHBondContact CA-OE1 3.36Å; L185-E216 HydrophobicContact CD2-CB 4.22Å; L185-E216 HydrophobicContact CD2-CG 3.74Å; T186-E216 WeakPolarHBondContact CG2-OE1 3.38Å; T186-E216 PolarHBondContact N-OE1 3.49Å; T186-E216 PolarHBondContact OG1-OE2 2.87Å; F187-E216 HydrophobicContact CE1-CB 4.21Å; F187-E216 WeakPolarHBondContact CE1-OE2 3.43Å; P212-E216 WeakPolarHBondContact O-CB 3.41Å; P212-E216 PolarHBondContact O-N 3.31Å; K213-E216 PolarHBondContact O-N 2.9Å; E216-L218 VanDerWaalsContact C-N 3.33Å; E216-L218 PolarHBondContact O-N 2.71Å; E216-G219 WeakPolarHBondContact O-CA 3.12Å; E216-G219 PolarHBondContact O-N 2.84Å; E216-G219 VanDerWaalsContact O-N 3.12Å; E216-V220 PolarHBondContact O-N 3.31Å
217I98.5Very high98Very high0 Ų053.4 Ų53.40%029%0.29CS..Hα-helixtrans-57.4-47.5173.9-67.6164.7000110L185 F187 I189 W191 K213 A214 G219 V220 L221 F235 L239 L245L185-I217 HydrophobicContact CD1-CG1 3.73Å; L185-I217 HydrophobicContact CD2-CG1 4.26Å; F187-I217 HydrophobicContact CE2-CD1 4.11Å; F187-I217 HydrophobicContact CE2-CG1 4.33Å; F187-I217 HydrophobicContact CZ-CD1 4.02Å; F187-I217 HydrophobicContact CZ-CG1 3.91Å; I189-I217 HydrophobicContact CD1-CD1 4.14Å; I189-I217 HydrophobicContact CG1-CD1 4.42Å; W191-I217 HydrophobicContact CH2-CG2 3.84Å; W191-I217 HydrophobicContact CZ3-CG2 3.89Å; K213-I217 WeakPolarHBondContact O-CG1 3.34Å; K213-I217 PolarHBondContact O-N 3.04Å; A214-I217 PolarHBondContact O-N 3Å; I217-G219 VanDerWaalsContact C-N 3.29Å; I217-G219 PolarHBondContact O-N 2.84Å; I217-V220 WeakPolarHBondContact O-CG2 3.41Å; I217-V220 PolarHBondContact O-N 3.2Å; I217-L221 HydrophobicContact CG2-CD1 4.26Å; I217-L221 WeakPolarHBondContact O-CG 3.45Å; I217-L221 PolarHBondContact O-N 2.99Å; I217-F235 HydrophobicContact CB-CE2 4.36Å; I217-F235 HydrophobicContact CG2-CD2 3.8Å; I217-F235 HydrophobicContact CG2-CE2 4Å; I217-L239 HydrophobicContact CD1-CD2 3.64Å; I217-L245 HydrophobicContact CD1-CD1 4Å
218L98.3Very high97.9Very high27 Ų2756.4 Ų56.414%0.14131%0.307CS..Hα-helixtrans-62.9-39.7177.1-175.558.2000111.5Y115 L118 L122 A214 N215 E216 L221 K222 F235Y115-L218 HydrophobicContact CE2-CD1 3.93Å; L118-L218 HydrophobicContact CD2-CD1 3.91Å; L122-L218 HydrophobicContact CD1-CD1 3.7Å; L122-L218 HydrophobicContact CD1-CD2 3.97Å; L122-L218 HydrophobicContact CD1-CG 4.47Å; A214-L218 PolarHBondContact O-N 3.22Å; N215-L218 PolarHBondContact O-N 2.9Å; E216-L218 VanDerWaalsContact C-N 3.33Å; E216-L218 PolarHBondContact O-N 2.71Å; L218-L221 PolarHBondContact O-N 3.1Å; L218-K222 WeakPolarHBondContact O-CB 3.47Å; L218-K222 PolarHBondContact O-N 3.25Å; L218-F235 HydrophobicContact CB-CD2 4.41Å; L218-F235 HydrophobicContact CB-CE2 3.64Å; L218-F235 HydrophobicContact CB-CZ 3.87Å; L218-F235 HydrophobicContact CD1-CD2 4.36Å; L218-F235 HydrophobicContact CD1-CE1 4.35Å; L218-F235 HydrophobicContact CD1-CE2 4.18Å; L218-F235 HydrophobicContact CD1-CZ 4.16Å; L218-F235 HydrophobicContact CD2-CZ 4.36Å; L218-F235 HydrophobicContact CG-CE2 4.42Å; L218-F235 HydrophobicContact CG-CZ 4.35Å
219G98.2Very high97.8Very high39 Ų3957.4 Ų57.440%0.40231%0.311SS..Hα-helixtrans-59.8-44.6178.500000113N215 E216 I217 K222 A223N215-G219 PolarHBondContact O-N 3.46Å; E216-G219 WeakPolarHBondContact O-CA 3.12Å; E216-G219 PolarHBondContact O-N 2.84Å; E216-G219 VanDerWaalsContact O-N 3.12Å; I217-G219 VanDerWaalsContact C-N 3.29Å; I217-G219 PolarHBondContact O-N 2.84Å; G219-K222 PolarHBondContact O-N 2.69Å; G219-A223 WeakPolarHBondContact O-CB 3.37Å; G219-A223 PolarHBondContact O-N 3.24Å
220V98Very high97.8Very high4 Ų455.2 Ų55.22%0.02430%0.301CS..Hα-helixtrans-68.5-37.1177.3-60.20000112.2P181 K183 L185 W191 E216 I217 A223 E224P181-V220 HydrophobicContact CB-CB 4.05Å; P181-V220 HydrophobicContact CB-CG2 3.88Å; P181-V220 HydrophobicContact CG-CB 4.47Å; P181-V220 HydrophobicContact CG-CG2 3.88Å; K183-V220 HydrophobicContact CB-CG1 4.16Å; K183-V220 HydrophobicContact CD-CG1 4.12Å; K183-V220 HydrophobicContact CG-CG1 4.14Å; L185-V220 HydrophobicContact CD2-CB 4.5Å; L185-V220 HydrophobicContact CD2-CG1 3.76Å; L185-V220 HydrophobicContact CD2-CG2 3.85Å; W191-V220 HydrophobicContact CH2-CG2 3.86Å; W191-V220 HydrophobicContact CZ2-CG2 4.11Å; E216-V220 PolarHBondContact O-N 3.31Å; I217-V220 WeakPolarHBondContact O-CG2 3.41Å; I217-V220 PolarHBondContact O-N 3.2Å; V220-A223 PolarHBondContact O-N 2.92Å; V220-E224 PolarHBondContact O-N 2.83Å
221L98Very high97.8Very high7 Ų750.9 Ų50.94%0.03728%0.278CS..Hα-helixtrans-65.1-40.9174.2-65.8168.6000111.4P181 W191 I217 L218 E224 P231 L234 F235P181-L221 HydrophobicContact CG-CD2 3.6Å; P181-L221 HydrophobicContact CG-CG 4.27Å; W191-L221 HydrophobicContact CH2-CD2 4.42Å; W191-L221 HydrophobicContact CH2-CG 4.48Å; W191-L221 HydrophobicContact CZ3-CD2 4.17Å; W191-L221 HydrophobicContact CZ3-CG 4.45Å; I217-L221 HydrophobicContact CG2-CD1 4.26Å; I217-L221 WeakPolarHBondContact O-CG 3.45Å; I217-L221 PolarHBondContact O-N 2.99Å; L218-L221 PolarHBondContact O-N 3.1Å; L221-E224 PolarHBondContact O-N 3.02Å; L221-P231 HydrophobicContact CB-CB 4.06Å; L221-P231 HydrophobicContact CD1-CB 4.34Å; L221-P231 HydrophobicContact CD2-CB 3.8Å; L221-P231 HydrophobicContact CG-CB 4.29Å; L221-L234 HydrophobicContact CD2-CB 4.45Å; L221-L234 HydrophobicContact CD2-CD1 4.35Å; L221-F235 HydrophobicContact CD1-CB 3.73Å; L221-F235 HydrophobicContact CD1-CD2 3.72Å; L221-F235 HydrophobicContact CD1-CG 4.11Å
222K97.7Very high97.8Very high105 Ų10549.9 Ų49.946%0.45727%0.273SS..Hα-helixtrans-69.9-34.5178.1-171.5175.3-176.51750112.6Y115 L218 G219 E224 K225Y115-K222 HydrophobicContact CD2-CB 4.23Å; Y115-K222 HydrophobicContact CE1-CB 4.5Å; Y115-K222 HydrophobicContact CE1-CD 4.41Å; Y115-K222 HydrophobicContact CE1-CG 4.05Å; Y115-K222 HydrophobicContact CE2-CB 3.67Å; Y115-K222 HydrophobicContact CE2-CG 4.13Å; L218-K222 WeakPolarHBondContact O-CB 3.47Å; L218-K222 PolarHBondContact O-N 3.25Å; G219-K222 PolarHBondContact O-N 2.69Å; K222-E224 PolarHBondContact O-N 3Å; K222-K225 WeakPolarHBondContact O-CB 3.11Å; K222-K225 WeakPolarHBondContact O-CG 3.33Å; K222-K225 PolarHBondContact O-N 3.17Å; K222-K225 VanDerWaalsContact O-N 3.12Å
223A97.7Very high97.7Very high74 Ų7446.7 Ų46.761%0.61225%0.249SC*.Hα-helixtrans-60-31.5175.200000111.7G219 V220G219-A223 WeakPolarHBondContact O-CB 3.37Å; G219-A223 PolarHBondContact O-N 3.24Å; V220-A223 PolarHBondContact O-N 2.92Å
224E97.4Very high97.7Very high28 Ų2842.7 Ų42.713%0.13123%0.232CC..THydrogen-bonded Turntrans-9721.7178.2-63.9-171.8-179.900113.3I182 V220 L221 K222 N226 L227 K229I182-E224 WeakPolarHBondContact CB-OE1 3.12Å; I182-E224 PolarHBondContact N-OE1 3.49Å; V220-E224 PolarHBondContact O-N 2.83Å; L221-E224 PolarHBondContact O-N 3.02Å; K222-E224 PolarHBondContact O-N 3Å; E224-N226 PolarHBondContact O-N 2.86Å; E224-L227 HydrophobicContact CB-CD1 4.01Å; E224-L227 HydrophobicContact CB-CG 4.32Å; E224-L227 HydrophobicContact CG-CD1 4.08Å; E224-L227 WeakPolarHBondContact O-CB 3.46Å; E224-L227 PolarHBondContact O-N 2.91Å; E224-K229 IonicContact OE1-NZ 2.73Å; E224-K229 WeakPolarHBondContact OE2-CD 3.33Å; E224-K229 WeakPolarHBondContact OE2-CE 3.42Å; E224-K229 IonicContact OE2-NZ 3.86Å; E224-K229 PolarHBondContact OE2-NZ 2.88Å
225K97.3Very high97.7Very high110 Ų11042.7 Ų42.748%0.47823%0.232SC..THydrogen-bonded Turntrans-53.9-22.7-17663.8-179.2-175.2179.10115.9Y115 K222Y115-K225 HydrophobicContact CD1-CB 4.34Å; Y115-K225 HydrophobicContact CG-CB 4.05Å; K222-K225 WeakPolarHBondContact O-CB 3.11Å; K222-K225 WeakPolarHBondContact O-CG 3.33Å; K222-K225 PolarHBondContact O-N 3.17Å; K222-K225 VanDerWaalsContact O-N 3.12Å
226N96.5Very high97.7Very high130 Ų13039.7 Ų39.770%0.69522%0.216SC*.THydrogen-bonded Turntrans-91.71.3-179.9-62.7-34.8000113.3Y114 E224Y114-N226 WeakPolarHBondContact CE1-O 3.47Å; E224-N226 PolarHBondContact O-N 2.86Å
227L97.2Very high97.6Very high76 Ų7637.5 Ų37.540%0.39821%0.206SC..SBendtrans-101.3141.5176.8-56-176.3000110.4Y114 E224 K229Y114-L227 WeakPolarHBondContact CD1-O 3.06Å; E224-L227 HydrophobicContact CB-CD1 4.01Å; E224-L227 HydrophobicContact CB-CG 4.32Å; E224-L227 HydrophobicContact CG-CD1 4.08Å; E224-L227 WeakPolarHBondContact O-CB 3.46Å; E224-L227 PolarHBondContact O-N 2.91Å; L227-K229 HydrophobicContact CB-CD 4.04Å; L227-K229 HydrophobicContact CB-CG 3.95Å; L227-K229 HydrophobicContact CD1-CD 4.17Å; L227-K229 PolarHBondContact O-N 3.04Å
228L96.7Very high97.6Very high89 Ų8937.5 Ų37.547%0.46621%0.206SC..  trans-77.471.7178.4-171.483.8000110.5W112 G113 Y114W112-L228 WeakPolarHBondContact O-CD1 3.2Å; G113-L228 CarbonylContact O-C 3.48Å; G113-L228 WeakPolarHBondContact O-CA 3.22Å; Y114-L228 HydrophobicContact CD2-CD1 3.83Å; Y114-L228 HydrophobicContact CE1-CB 4.21Å; Y114-L228 HydrophobicContact CE2-CD1 3.39Å
229K96.8Very high97.6Very high28 Ų2836.2 Ų36.212%0.12220%0.199CC..  trans-116.20.7-171.8-74.2-173.1166.2-165.70115.7G113 R179 W180 E224 L227G113-K229 PolarHBondContact O-N 2.83Å; R179-K229 HydrophobicContact CB-CB 4.4Å; R179-K229 WeakPolarHBondContact CB-O 3.26Å; R179-K229 WeakPolarHBondContact CD-O 3.26Å; R179-K229 WeakPolarHBondContact O-CD 3.36Å; W180-K229 PolarHBondContact O-NZ 2.77Å; E224-K229 IonicContact OE1-NZ 2.73Å; E224-K229 WeakPolarHBondContact OE2-CD 3.33Å; E224-K229 WeakPolarHBondContact OE2-CE 3.42Å; E224-K229 IonicContact OE2-NZ 3.86Å; E224-K229 PolarHBondContact OE2-NZ 2.88Å; L227-K229 HydrophobicContact CB-CD 4.04Å; L227-K229 HydrophobicContact CB-CG 3.95Å; L227-K229 HydrophobicContact CD1-CD 4.17Å; L227-K229 PolarHBondContact O-N 3.04Å
230H97.1Very high97.6Very high9 Ų934.4 Ų34.44%0.04218%0.18CC..  trans52.853.6175.8-54.254.9000113.3W112 G113 D232 E233W112-H230 AromaticContact CH2-NE2 3.56Å; W112-H230 AromaticContact CZ2-NE2 3.58Å; G113-H230 PolarHBondContact O-N 2.76Å; H230-D232 VanDerWaalsContact CA-OD1 3.3Å; H230-D232 WeakPolarHBondContact CA-OD1 3.33Å; H230-D232 PolarHBondContact O-N 2.82Å; H230-D232 VanDerWaalsContact O-N 3.12Å; H230-E233 HydrophobicContact CB-CB 4.36Å; H230-E233 HydrophobicContact CB-CG 4.39Å; H230-E233 PolarHBondContact O-N 3.14Å
231P97.8Very high97.5Very high5 Ų535.2 Ų35.23%0.03218%0.183CC..G310 helixtrans-62.9-19.5-177.828.8-36.7000113.3Y115 L118 L221 E233 L234 F235Y115-P231 VanDerWaalsContact CA-CG 3.42Å; Y115-P231 HydrophobicContact CD2-CG 4.19Å; L118-P231 HydrophobicContact CD2-CB 4.3Å; L221-P231 HydrophobicContact CB-CB 4.06Å; L221-P231 HydrophobicContact CD1-CB 4.34Å; L221-P231 HydrophobicContact CD2-CB 3.8Å; L221-P231 HydrophobicContact CG-CB 4.29Å; P231-E233 VanDerWaalsContact C-N 3.28Å; P231-E233 PolarHBondContact O-N 3.47Å; P231-L234 PolarHBondContact O-N 2.95Å; P231-L234 VanDerWaalsContact O-N 3.13Å; P231-F235 PolarHBondContact O-N 2.92Å
232D97.8Very high97.5Very high15 Ų1535.7 Ų35.78%0.0819%0.185CC..G310 helixtrans-63.5-30.4171.259.1-60.2000113.1V117 L118 F196 H230 L234V117-D232 HydrophobicContact CB-CB 4.05Å; V117-D232 HydrophobicContact CG1-CB 3.84Å; V117-D232 WeakPolarHBondContact CG1-OD2 3.36Å; L118-D232 HydrophobicContact CB-CB 4.14Å; F196-D232 WeakPolarHBondContact CA-O 3.49Å; F196-D232 HydrophobicContact CB-CB 4.04Å; F196-D232 HydrophobicContact CD2-CB 3.54Å; F196-D232 HydrophobicContact CE2-CB 4.1Å; F196-D232 HydrophobicContact CG-CB 3.89Å; H230-D232 VanDerWaalsContact CA-OD1 3.3Å; H230-D232 WeakPolarHBondContact CA-OD1 3.33Å; H230-D232 PolarHBondContact O-N 2.82Å; H230-D232 VanDerWaalsContact O-N 3.12Å; D232-L234 VanDerWaalsContact C-N 3.26Å; D232-L234 PolarHBondContact O-N 2.05Å
233E97.8Very high97.3Very high35 Ų3532.6 Ų32.616%0.16418%0.176CC..G310 helixtrans-87.39.1173.5-65.3-175.6-178.500112.8R179 K193 G194 H230 P231 S237R179-E233 IonicContact NH1-OE2 3.76Å; R179-E233 PolarHBondContact NH1-OE2 3.38Å; K193-E233 CarbonylContact C-O 3.55Å; K193-E233 WeakPolarHBondContact CA-O 3.13Å; K193-E233 WeakPolarHBondContact CE-OE2 2.98Å; G194-E233 PolarHBondContact N-O 2.79Å; G194-E233 WeakPolarHBondContact O-CB 3.39Å; H230-E233 HydrophobicContact CB-CB 4.36Å; H230-E233 HydrophobicContact CB-CG 4.39Å; H230-E233 PolarHBondContact O-N 3.14Å; P231-E233 VanDerWaalsContact C-N 3.28Å; P231-E233 PolarHBondContact O-N 3.47Å; E233-S237 PolarHBondContact O-OG 3.21Å
234L97.6Very high97.2Very high2 Ų236.9 Ų36.91%0.0119%0.188CC..THydrogen-bonded Turntrans-126.4-46.3-173.8-83.1170000114.8R179 W180 W191 S192 L221 P231 D232 S237 T238R179-L234 HydrophobicContact CB-CD1 4.26Å; W180-L234 HydrophobicContact CD2-CD2 4.29Å; W180-L234 HydrophobicContact CE3-CD1 3.54Å; W180-L234 HydrophobicContact CE3-CD2 3.35Å; W180-L234 HydrophobicContact CE3-CG 3.99Å; W180-L234 HydrophobicContact CH2-CD2 3.5Å; W180-L234 VanDerWaalsContact CH2-CD2 3.5Å; W180-L234 HydrophobicContact CZ2-CD2 4.34Å; W180-L234 HydrophobicContact CZ3-CD1 3.59Å; W180-L234 HydrophobicContact CZ3-CD2 2.95Å; W180-L234 HydrophobicContact CZ3-CG 3.63Å; W191-L234 HydrophobicContact CE3-CD2 4.4Å; S192-L234 WeakPolarHBondContact O-CD2 3.29Å; L221-L234 HydrophobicContact CD2-CB 4.45Å; L221-L234 HydrophobicContact CD2-CD1 4.35Å; P231-L234 PolarHBondContact O-N 2.95Å; P231-L234 VanDerWaalsContact O-N 3.13Å; D232-L234 VanDerWaalsContact C-N 3.26Å; D232-L234 PolarHBondContact O-N 2.05Å; L234-S237 WeakPolarHBondContact CA-OG 3.35Å; L234-S237 PolarHBondContact O-OG 2.83Å; L234-S237 VanDerWaalsContact O-OG 3.06Å; L234-T238 WeakPolarHBondContact O-CB 3.47Å; L234-T238 PolarHBondContact O-N 3.3Å; L234-T238 PolarHBondContact O-OG1 2.71Å
235F98.3Very high97.2Very high0 Ų036.3 Ų36.30%019%0.185CC..Hα-helixtrans-59.5-58-167.1-177.6-124.1000111.6L118 L122 Y208 I217 L218 L221 P231 T238 L239L118-F235 HydrophobicContact CD1-CB 4.26Å; L118-F235 HydrophobicContact CD1-CD1 4.02Å; L118-F235 HydrophobicContact CD2-CB 3.78Å; L118-F235 HydrophobicContact CD2-CD1 4.26Å; L118-F235 HydrophobicContact CD2-CG 4.1Å; L122-F235 HydrophobicContact CD2-CE1 4.21Å; Y208-F235 HydrophobicContact CD2-CE1 4.19Å; Y208-F235 HydrophobicContact CD2-CZ 4.34Å; Y208-F235 HydrophobicContact CG-CE1 4.21Å; Y208-F235 HydrophobicContact CG-CZ 4.37Å; I217-F235 HydrophobicContact CB-CE2 4.36Å; I217-F235 HydrophobicContact CG2-CD2 3.8Å; I217-F235 HydrophobicContact CG2-CE2 4Å; L218-F235 HydrophobicContact CB-CD2 4.41Å; L218-F235 HydrophobicContact CB-CE2 3.64Å; L218-F235 HydrophobicContact CB-CZ 3.87Å; L218-F235 HydrophobicContact CD1-CD2 4.36Å; L218-F235 HydrophobicContact CD1-CE1 4.35Å; L218-F235 HydrophobicContact CD1-CE2 4.18Å; L218-F235 HydrophobicContact CD1-CZ 4.16Å; L218-F235 HydrophobicContact CD2-CZ 4.36Å; L218-F235 HydrophobicContact CG-CE2 4.42Å; L218-F235 HydrophobicContact CG-CZ 4.35Å; L221-F235 HydrophobicContact CD1-CB 3.73Å; L221-F235 HydrophobicContact CD1-CD2 3.72Å; L221-F235 HydrophobicContact CD1-CG 4.11Å; P231-F235 PolarHBondContact O-N 2.92Å; F235-T238 PolarHBondContact O-N 3.06Å; F235-L239 HydrophobicContact CD1-CD1 4.45Å; F235-L239 HydrophobicContact CD2-CD1 4.3Å; F235-L239 HydrophobicContact CD2-CG 4.5Å; F235-L239 HydrophobicContact CE1-CD1 3.95Å; F235-L239 HydrophobicContact CE2-CD1 3.77Å; F235-L239 HydrophobicContact CE2-CG 4.26Å; F235-L239 HydrophobicContact CZ-CD1 3.59Å; F235-L239 WeakPolarHBondContact O-CG 3.45Å; F235-L239 PolarHBondContact O-N 2.84Å
236F98.3Very high97.1Very high2 Ų233 Ų331%0.00918%0.183CC..Hα-helixtrans-72.5-36.2-174.9-62.7-64.8000113.2L118 F121 L122 V168 M198 L200 F204 Y208 L239 N240L118-F236 HydrophobicContact CD1-CD2 4.2Å; L118-F236 HydrophobicContact CD1-CE2 3.4Å; L118-F236 HydrophobicContact CD1-CZ 4.01Å; F121-F236 HydrophobicContact CD1-CE1 4.49Å; F121-F236 AromaticContact CD1-CE2 3.65Å; F121-F236 HydrophobicContact CD1-CE2 3.65Å; F121-F236 AromaticContact CD1-CZ 3.41Å; F121-F236 HydrophobicContact CD1-CZ 3.41Å; F121-F236 VanDerWaalsContact CD1-CZ 3.41Å; F121-F236 HydrophobicContact CE1-CE1 4.1Å; F121-F236 AromaticContact CE1-CE2 3.95Å; F121-F236 HydrophobicContact CE1-CE2 3.95Å; F121-F236 AromaticContact CE1-CZ 3.41Å; F121-F236 HydrophobicContact CE1-CZ 3.41Å; F121-F236 VanDerWaalsContact CE1-CZ 3.41Å; F121-F236 HydrophobicContact CG-CE2 4.42Å; L122-F236 HydrophobicContact CD2-CZ 4.08Å; V168-F236 HydrophobicContact CG1-CB 4.47Å; M198-F236 HydrophobicContact CE-CD1 4.26Å; M198-F236 HydrophobicContact CE-CD2 3.28Å; M198-F236 HydrophobicContact CE-CE1 4.19Å; M198-F236 HydrophobicContact CE-CE2 3.18Å; M198-F236 HydrophobicContact CE-CG 3.84Å; M198-F236 HydrophobicContact CE-CZ 3.68Å; M198-F236 HydrophobicContact SD-CB 3.85Å; M198-F236 HydrophobicContact SD-CD1 4Å; M198-F236 HydrophobicContact SD-CD2 3.49Å; M198-F236 WeakPolarHBondContact SD-CD2 3.44Å; M198-F236 HydrophobicContact SD-CE1 4.45Å; M198-F236 HydrophobicContact SD-CE2 4.01Å; M198-F236 HydrophobicContact SD-CG 3.48Å; M198-F236 WeakPolarHBondContact SD-CG 3.35Å; M198-F236 HydrophobicContact SD-CZ 4.46Å; L200-F236 HydrophobicContact CD1-CD1 3.69Å; L200-F236 HydrophobicContact CD1-CE1 3.7Å; L200-F236 HydrophobicContact CD1-CG 4.34Å; L200-F236 HydrophobicContact CD1-CZ 4.39Å; F204-F236 AromaticContact CE1-CD1 3.86Å; F204-F236 HydrophobicContact CE1-CD1 3.86Å; F204-F236 HydrophobicContact CE1-CE1 4.32Å; F204-F236 HydrophobicContact CZ-CD1 4.49Å; Y208-F236 AromaticContact CD1-CE1 3.94Å; Y208-F236 HydrophobicContact CD1-CE1 3.94Å; Y208-F236 AromaticContact CE1-CE1 3.79Å; Y208-F236 HydrophobicContact CE1-CE1 3.79Å; Y208-F236 HydrophobicContact CE1-CZ 4.37Å; F236-L239 PolarHBondContact O-N 2.86Å; F236-N240 WeakPolarHBondContact O-CB 3.26Å; F236-N240 PolarHBondContact O-N 2.68Å
237S97.5Very high97.2Very high3 Ų326.8 Ų26.82%0.02115%0.15CC..Hα-helixtrans-64.1-40.8173.144.10000111.7S192 G194 E233 L234 N240 Y241S192-S237 WeakPolarHBondContact O-CB 3.26Å; S192-S237 PolarHBondContact O-OG 3.09Å; G194-S237 PolarHBondContact N-OG 3.26Å; E233-S237 PolarHBondContact O-OG 3.21Å; L234-S237 WeakPolarHBondContact CA-OG 3.35Å; L234-S237 PolarHBondContact O-OG 2.83Å; L234-S237 VanDerWaalsContact O-OG 3.06Å; S237-N240 PolarHBondContact O-N 2.88Å; S237-Y241 WeakPolarHBondContact O-CD2 3.3Å; S237-Y241 PolarHBondContact O-N 3.13Å; S237-Y241 VanDerWaalsContact O-N 3.14Å
238T97.7Very high97.3Very high0 Ų024.2 Ų24.20%014%0.137CC..Hα-helixtrans-64.8-47.3175.8-59.10000110.8I189 W191 S192 L234 F235 N240 N242I189-T238 HydrophobicContact CD1-CG2 4.06Å; I189-T238 HydrophobicContact CG1-CG2 3.56Å; W191-T238 HydrophobicContact CE3-CG2 3.95Å; W191-T238 HydrophobicContact CZ3-CG2 4.25Å; S192-T238 PolarHBondContact N-OG1 2.81Å; S192-T238 VanDerWaalsContact N-OG1 3.14Å; S192-T238 PolarHBondContact O-OG1 3.22Å; L234-T238 WeakPolarHBondContact O-CB 3.47Å; L234-T238 PolarHBondContact O-N 3.3Å; L234-T238 PolarHBondContact O-OG1 2.71Å; F235-T238 PolarHBondContact O-N 3.06Å; T238-N240 VanDerWaalsContact C-N 3.35Å; T238-N240 PolarHBondContact O-N 3.37Å; T238-N242 WeakPolarHBondContact O-CB 3.48Å; T238-N242 PolarHBondContact O-N 3.24Å; T238-N242 PolarHBondContact O-ND2 3.3Å
239L98.2Very high97.3Very high0 Ų020 Ų200%012%0.116CC..Hα-helixtrans-62.2-40.6177.3-67.7-176.8000112.9F204 A214 I217 F235 F236 Y241 L245F204-L239 HydrophobicContact CE1-CD1 4.4Å; F204-L239 HydrophobicContact CE2-CB 4.29Å; F204-L239 HydrophobicContact CZ-CB 3.69Å; F204-L239 HydrophobicContact CZ-CD1 4.14Å; A214-L239 HydrophobicContact CB-CD1 4.28Å; A214-L239 HydrophobicContact CB-CD2 3.94Å; I217-L239 HydrophobicContact CD1-CD2 3.64Å; F235-L239 HydrophobicContact CD1-CD1 4.45Å; F235-L239 HydrophobicContact CD2-CD1 4.3Å; F235-L239 HydrophobicContact CD2-CG 4.5Å; F235-L239 HydrophobicContact CE1-CD1 3.95Å; F235-L239 HydrophobicContact CE2-CD1 3.77Å; F235-L239 HydrophobicContact CE2-CG 4.26Å; F235-L239 HydrophobicContact CZ-CD1 3.59Å; F235-L239 WeakPolarHBondContact O-CG 3.45Å; F235-L239 PolarHBondContact O-N 2.84Å; F236-L239 PolarHBondContact O-N 2.86Å; L239-Y241 PolarHBondContact O-N 3.17Å; L239-L245 HydrophobicContact CD2-CD1 3.66Å
240N97.7Very high97.4Very high0 Ų018.7 Ų18.70%011%0.11CC..Hα-helixtrans-77.8-18.5-173.8-163.378.1000114.5N166 V168 F236 S237 T238 A250 C251N166-N240 WeakPolarHBondContact CB-OD1 3.48Å; N166-N240 PolarHBondContact ND2-OD1 3.03Å; V168-N240 HydrophobicContact CB-CB 4.02Å; V168-N240 HydrophobicContact CG1-CB 4.13Å; V168-N240 HydrophobicContact CG2-CB 4Å; F236-N240 WeakPolarHBondContact O-CB 3.26Å; F236-N240 PolarHBondContact O-N 2.68Å; S237-N240 PolarHBondContact O-N 2.88Å; T238-N240 VanDerWaalsContact C-N 3.35Å; T238-N240 PolarHBondContact O-N 3.37Å; N240-A250 WeakPolarHBondContact O-CB 3.47Å; N240-A250 WeakPolarHBondContact OD1-CA 3.43Å; N240-C251 PolarHBondContact O-N 3.38Å
241Y97.1Very high97.3Very high22 Ų2218.3 Ų18.39%0.08611%0.108CC..THydrogen-bonded Turntrans-120.821.8-177.3-67.4-83000113V168 N170 S237 L239 C251 T254V168-Y241 HydrophobicContact CB-CE2 4.18Å; V168-Y241 HydrophobicContact CG1-CE2 4.22Å; V168-Y241 WeakPolarHBondContact O-CE2 3.4Å; V168-Y241 PolarHBondContact O-OH 3.14Å; N170-Y241 HydrophobicContact CB-CD1 4.01Å; N170-Y241 HydrophobicContact CB-CD2 3.71Å; N170-Y241 HydrophobicContact CB-CE1 3.7Å; N170-Y241 HydrophobicContact CB-CE2 3.44Å; N170-Y241 VanDerWaalsContact CB-CE2 3.44Å; N170-Y241 HydrophobicContact CB-CG 3.99Å; N170-Y241 VanDerWaalsContact ND2-CD1 3.31Å; N170-Y241 WeakPolarHBondContact ND2-CD1 3.47Å; S237-Y241 WeakPolarHBondContact O-CD2 3.3Å; S237-Y241 PolarHBondContact O-N 3.13Å; S237-Y241 VanDerWaalsContact O-N 3.14Å; L239-Y241 PolarHBondContact O-N 3.17Å; Y241-C251 HydrophobicContact CD1-CB 3.92Å; Y241-C251 HydrophobicContact CE1-CB 3.75Å; Y241-T254 WeakPolarHBondContact O-CG2 3.04Å
242N96.8Very high97.2Very high16 Ų1621 Ų219%0.08612%0.122CC..  trans-119.683165.1-76.9-95.2000108.6I189 I190 T238 L244 L245I189-N242 HydrophobicContact CD1-CB 3.63Å; I189-N242 VanDerWaalsContact CD1-OD1 3.3Å; I189-N242 WeakPolarHBondContact CD1-OD1 3.24Å; I190-N242 PolarHBondContact N-OD1 2.92Å; I190-N242 PolarHBondContact O-ND2 3.36Å; T238-N242 WeakPolarHBondContact O-CB 3.48Å; T238-N242 PolarHBondContact O-N 3.24Å; T238-N242 PolarHBondContact O-ND2 3.3Å; N242-L244 PolarHBondContact O-N 2.78Å; N242-L244 VanDerWaalsContact O-N 3.08Å; N242-L245 HydrophobicContact CB-CD1 3.89Å; N242-L245 HydrophobicContact CB-CG 4.02Å; N242-L245 WeakPolarHBondContact O-CB 3.2Å; N242-L245 WeakPolarHBondContact O-CG 3.47Å; N242-L245 PolarHBondContact O-N 2.85Å
243P94.9Very high97Very high41 Ų4125.5 Ų25.527%0.26614%0.143SC..G310 helixtrans-60-25.2-172.425.1-37.8000113.7L245 G246 N252 I357P243-L245 PolarHBondContact O-N 3.15Å; P243-L245 VanDerWaalsContact O-N 3.08Å; P243-G246 PolarHBondContact O-N 2.78Å; P243-N252 WeakPolarHBondContact CG-O 3.29Å; P243-I357 HydrophobicContact CB-CD1 4.14Å; P243-I357 VanDerWaalsContact O-CD1 3.26Å; P243-I357 WeakPolarHBondContact O-CD1 3.42Å
244L94.7Very high96.6Very high164 Ų16428 Ų2886%0.85916%0.161SC*.G310 helixtrans-62.9-13.1174.6-61.5177.5000114N242 G246N242-L244 PolarHBondContact O-N 2.78Å; N242-L244 VanDerWaalsContact O-N 3.08Å; L244-G246 VanDerWaalsContact C-N 3.33Å
245L96.9Very high96Very high15 Ų1530 Ų308%0.07917%0.168CC..G310 helixtrans-77.6-18.5171.5-64179.1000112.7F187 I189 F207 K213 I217 L239 N242 P243 A247F187-L245 HydrophobicContact CD2-CD2 4.46Å; F187-L245 HydrophobicContact CE2-CD2 3.96Å; I189-L245 HydrophobicContact CD1-CD1 3.87Å; I189-L245 HydrophobicContact CD1-CD2 4.36Å; I189-L245 HydrophobicContact CD1-CG 4.27Å; F207-L245 WeakPolarHBondContact CE2-O 3.48Å; F207-L245 HydrophobicContact CZ-CB 4.3Å; F207-L245 VanDerWaalsContact CZ-O 3.3Å; F207-L245 WeakPolarHBondContact CZ-O 3.37Å; K213-L245 HydrophobicContact CB-CD2 3.95Å; K213-L245 HydrophobicContact CD-CD2 3.73Å; I217-L245 HydrophobicContact CD1-CD1 4Å; L239-L245 HydrophobicContact CD2-CD1 3.66Å; N242-L245 HydrophobicContact CB-CD1 3.89Å; N242-L245 HydrophobicContact CB-CG 4.02Å; N242-L245 WeakPolarHBondContact O-CB 3.2Å; N242-L245 WeakPolarHBondContact O-CG 3.47Å; N242-L245 PolarHBondContact O-N 2.85Å; P243-L245 PolarHBondContact O-N 3.15Å; P243-L245 VanDerWaalsContact O-N 3.08Å; L245-A247 VanDerWaalsContact C-N 3.29Å; L245-A247 PolarHBondContact O-N 3.04Å
246G96.5Very high95.6Very high41 Ų4134.3 Ų34.342%0.42319%0.191SC..  trans71.221.8-18000000114.2P243 L244P243-G246 PolarHBondContact O-N 2.78Å; L244-G246 VanDerWaalsContact C-N 3.33Å
247A98.1Very high95.1Very high0 Ų036 Ų360%020%0.202CC..  trans-69.6130.6-175.600000111.5F204 F207 L245 G249 A250F204-A247 HydrophobicContact CD2-CB 3.89Å; F204-A247 HydrophobicContact CE2-CB 3.6Å; F207-A247 HydrophobicContact CD1-CB 3.69Å; F207-A247 HydrophobicContact CE1-CB 3.46Å; F207-A247 VanDerWaalsContact CE1-CB 3.46Å; F207-A247 HydrophobicContact CE2-CB 4.46Å; F207-A247 HydrophobicContact CG-CB 4.32Å; F207-A247 HydrophobicContact CZ-CB 3.88Å; L245-A247 VanDerWaalsContact C-N 3.29Å; L245-A247 PolarHBondContact O-N 3.04Å; A247-G249 PolarHBondContact O-N 3.33Å; A247-A250 HydrophobicContact CB-CB 3.99Å; A247-A250 WeakPolarHBondContact O-CB 3.07Å; A247-A250 PolarHBondContact O-N 2.91Å
248P98.4Very high94.6Very high22 Ų2238 Ų3814%0.14322%0.215CC..THydrogen-bonded Turntrans-59.1128.2-177.2-27.435.2000114N166 D203 F204 F207 A250N166-P248 PolarHBondContact ND2-O 3.3Å; D203-P248 HydrophobicContact CB-CB 4.29Å; D203-P248 HydrophobicContact CB-CG 4.3Å; D203-P248 WeakPolarHBondContact OD1-CB 3.45Å; F204-P248 WeakPolarHBondContact CD2-O 3.42Å; F207-P248 HydrophobicContact CB-CG 4.2Å; P248-A250 PolarHBondContact O-N 2.97Å
249G98.1Very high93.8Very high1 Ų143.8 Ų43.81%0.0125%0.246CC..THydrogen-bonded Turntrans73.66-176.800000115.2G164 N166 A247 I357G164-G249 WeakPolarHBondContact O-CA 3.31Å; N166-G249 PolarHBondContact N-O 2.68Å; N166-G249 PolarHBondContact ND2-O 2.69Å; A247-G249 PolarHBondContact O-N 3.33Å; G249-I357 VanDerWaalsContact CA-O 3.25Å; G249-I357 WeakPolarHBondContact CA-O 3.38Å; G249-I357 PolarHBondContact N-O 2.86Å
250A97.7Very high93.3Very high0 Ų051.7 Ų51.70%029%0.288CS..  trans-69.3148.3172.900000111.4N240 A247 P248 H356 I357N240-A250 WeakPolarHBondContact O-CB 3.47Å; N240-A250 WeakPolarHBondContact OD1-CA 3.43Å; A247-A250 HydrophobicContact CB-CB 3.99Å; A247-A250 WeakPolarHBondContact O-CB 3.07Å; A247-A250 PolarHBondContact O-N 2.91Å; P248-A250 PolarHBondContact O-N 2.97Å; A250-H356 CarbonylContact O-C 3.56Å; A250-H356 WeakPolarHBondContact O-CA 3.42Å; A250-H356 WeakPolarHBondContact O-CB 3.39Å; A250-I357 HydrophobicContact CB-CD1 4.27Å; A250-I357 PolarHBondContact O-N 2.95Å
251C96.6Very high93.1Very high0 Ų054 Ų540%030%0.3CS..BIsolated β-bridgetrans-75132.1-176.7-150.70000110.1N240 Y241 E253 Y255 C352N240-C251 PolarHBondContact O-N 3.38Å; Y241-C251 HydrophobicContact CD1-CB 3.92Å; Y241-C251 HydrophobicContact CE1-CB 3.75Å; C251-E253 VanDerWaalsContact C-N 3.28Å; C251-E253 PolarHBondContact O-N 3.19Å; C251-E253 PolarHBondContact SG-O 2.95Å; C251-E253 VanDerWaalsContact SG-O 3.34Å; C251-Y255 WeakPolarHBondContact SG-CD2 3.37Å; C251-C352 HydrophobicContact CB-CB 3.89Å; C251-C352 WeakPolarHBondContact CB-SG 3.4Å; C251-C352 WeakPolarHBondContact SG-CA 3.43Å; C251-C352 WeakPolarHBondContact SG-CB 3.13Å; C251-C352 CovalentContact SG-SG 2.05Å; C251-C352 PolarHBondContact SG-SG 3.47Å
252N95.1Very high92.8Very high63 Ų6359.2 Ų59.234%0.33733%0.327SS..SBendtrans-70-29.1-179.9-78.7-32000112.3P243 D355 H356 I357P243-N252 WeakPolarHBondContact CG-O 3.29Å; N252-D355 VanDerWaalsContact CB-OD1 3.29Å; N252-D355 WeakPolarHBondContact CB-OD1 3.43Å; N252-D355 PolarHBondContact N-O 3.3Å; N252-D355 PolarHBondContact ND2-OD1 3.38Å; N252-H356 PolarHBondContact ND2-N 2.73Å; N252-H356 PolarHBondContact ND2-O 3.18Å; N252-I357 WeakPolarHBondContact OD1-CG1 3.48Å
253E92.9Very high92.7Very high109 Ų10964.3 Ų64.351%0.50935%0.345SS..SBendtrans-116.8155.2175.4-70.5-168.5-17600111.9C251 Y255C251-E253 VanDerWaalsContact C-N 3.28Å; C251-E253 PolarHBondContact O-N 3.19Å; C251-E253 PolarHBondContact SG-O 2.95Å; C251-E253 VanDerWaalsContact SG-O 3.34Å; E253-Y255 HydrophobicContact CB-CD2 4.22Å; E253-Y255 HydrophobicContact CB-CE1 4.26Å; E253-Y255 HydrophobicContact CB-CE2 3.52Å; E253-Y255 WeakPolarHBondContact O-CD2 3.38Å; E253-Y255 PolarHBondContact O-N 3.1Å; E253-Y255 PolarHBondContact OE2-OH 3.48Å
254T89.7Confident92.6Very high88 Ų8863.4 Ų63.454%0.5434%0.338SS..  trans-87.599.8177.357.50000110.1Y241Y241-T254 WeakPolarHBondContact O-CG2 3.04Å
255Y85.6Confident92.4Very high42 Ų4257.2 Ų57.217%0.16531%0.311CS..PPolyproline II helixtrans-100.7119.4173.5-56.7-77.5000110.9N170 C251 E253 V264 Y351N170-Y255 WeakPolarHBondContact CB-O 3.37Å; N170-Y255 PolarHBondContact ND2-O 2.85Å; C251-Y255 WeakPolarHBondContact SG-CD2 3.37Å; E253-Y255 HydrophobicContact CB-CD2 4.22Å; E253-Y255 HydrophobicContact CB-CE1 4.26Å; E253-Y255 HydrophobicContact CB-CE2 3.52Å; E253-Y255 WeakPolarHBondContact O-CD2 3.38Å; E253-Y255 PolarHBondContact O-N 3.1Å; E253-Y255 PolarHBondContact OE2-OH 3.48Å; Y255-V264 HydrophobicContact CD1-CG1 4.24Å; Y255-V264 HydrophobicContact CG-CG1 4.14Å; Y255-Y351 AromaticContact CD1-CD2 3.52Å; Y255-Y351 HydrophobicContact CD1-CD2 3.52Å; Y255-Y351 AromaticContact CD1-CE2 4Å; Y255-Y351 HydrophobicContact CD1-CE2 4Å; Y255-Y351 AromaticContact CD1-CG 3.96Å; Y255-Y351 HydrophobicContact CD1-CG 3.96Å; Y255-Y351 HydrophobicContact CD2-CD2 4.43Å; Y255-Y351 HydrophobicContact CD2-CG 4.39Å; Y255-Y351 HydrophobicContact CE1-CD1 4.17Å; Y255-Y351 AromaticContact CE1-CD2 3.72Å; Y255-Y351 HydrophobicContact CE1-CD2 3.72Å; Y255-Y351 HydrophobicContact CE1-CE2 4.17Å; Y255-Y351 AromaticContact CE1-CG 3.73Å; Y255-Y351 HydrophobicContact CE1-CG 3.73Å; Y255-Y351 VanDerWaalsContact CE2-CB 3.45Å; Y255-Y351 HydrophobicContact CE2-CG 4.19Å; Y255-Y351 AromaticContact CG-CD2 3.9Å; Y255-Y351 HydrophobicContact CG-CD2 3.9Å; Y255-Y351 HydrophobicContact CG-CG 4.28Å; Y255-Y351 AromaticContact CZ-CG 3.85Å
256L90.3Very high92.3Very high91 Ų9157.7 Ų57.748%0.47631%0.312SS..PPolyproline II helixtrans-81.9134.3177.2-57-175.7000110S258 V264L256-S258 PolarHBondContact O-N 3.29Å; L256-V264 VanDerWaalsContact O-CG2 3.31Å; L256-V264 WeakPolarHBondContact O-CG2 3.03Å
257T86.2Confident92.2Very high39 Ų3956 Ų5624%0.23929%0.293CS..PPolyproline II helixtrans-58130.7177.3-53.40000109.7N170 L171N170-T257 WeakPolarHBondContact O-CB 3.3Å; N170-T257 PolarHBondContact O-N 2.88Å; N170-T257 PolarHBondContact O-OG1 3.24Å; L171-T257 HydrophobicContact CD2-CG2 4.41Å
258S87Confident92.2Very high43 Ų4356 Ų5630%0.30129%0.293SS..  trans-145.7140.7-177.5-178.50000110.5L256 L260L256-S258 PolarHBondContact O-N 3.29Å; S258-L260 PolarHBondContact O-N 3.14Å; S258-L260 PolarHBondContact OG-N 3.48Å; S258-L260 VanDerWaalsContact OG-N 3.17Å
259D81.7Confident92.1Very high123 Ų12355.3 Ų55.366%0.65829%0.288SS*.SBendtrans-73.2-13.1172-76.8-8.9000111.9R276D259-R276 IonicContact OD1-NH2 2.66Å; D259-R276 IonicContact OD2-CZ 2.91Å; D259-R276 IonicContact OD2-NH1 2.7Å; D259-R276 PolarHBondContact OD2-NH1 3.22Å; D259-R276 VanDerWaalsContact OD2-NH1 3.12Å; D259-R276 IonicContact OD2-NH2 2.66Å; D259-R276 PolarHBondContact OD2-NH2 2.99Å
260L88.5Confident91.9Very high166 Ų16656.4 Ų56.487%0.86929%0.292SS*.SBendtrans-87.7-29.2-175.9-63173000113.6S258S258-L260 PolarHBondContact O-N 3.14Å; S258-L260 PolarHBondContact OG-N 3.48Å; S258-L260 VanDerWaalsContact OG-N 3.17Å
261D92.6Very high91.7Very high47 Ų4757.7 Ų57.725%0.25130%0.299SS..  trans-122.3108178.1-176.4-5.4000108.9R263 V264 Y351D261-R263 PolarHBondContact O-N 3.47Å; D261-R263 VanDerWaalsContact O-N 3.15Å; D261-R263 WeakPolarHBondContact OD1-CB 2.89Å; D261-R263 PolarHBondContact OD1-N 2.88Å; D261-R263 IonicContact OD1-NE 3.65Å; D261-V264 HydrophobicContact CB-CG2 4.07Å; D261-V264 WeakPolarHBondContact O-CG2 3.23Å; D261-V264 PolarHBondContact O-N 3.17Å; D261-Y351 VanDerWaalsContact OD2-CE2 3.22Å; D261-Y351 WeakPolarHBondContact OD2-CE2 3.46Å; D261-Y351 PolarHBondContact OD2-OH 3.4Å
262M91.4Very high91.4Very high133 Ų13359.8 Ų59.866%0.65531%0.308SS*.G310 helixtrans-67.7-15.1-177.1-61.2-171.4-6400113V264 A265 F346 L350M262-V264 PolarHBondContact O-N 2.83Å; M262-A265 VanDerWaalsContact O-CB 3.28Å; M262-A265 WeakPolarHBondContact O-CB 3.4Å; M262-A265 PolarHBondContact O-N 3.44Å; M262-F346 HydrophobicContact CB-CE2 4.03Å; M262-L350 WeakPolarHBondContact O-CD2 3.35Å
263R94Very high91.1Very high122 Ų12261.6 Ų61.646%0.4631%0.311SS..G310 helixtrans-71.7-15.7176.6-62.6-173.4-71.8178-6.4113.3D261 Q349 L350 Y351D261-R263 PolarHBondContact O-N 3.47Å; D261-R263 VanDerWaalsContact O-N 3.15Å; D261-R263 WeakPolarHBondContact OD1-CB 2.89Å; D261-R263 PolarHBondContact OD1-N 2.88Å; D261-R263 IonicContact OD1-NE 3.65Å; R263-Q349 WeakPolarHBondContact CD-O 3.44Å; R263-Q349 WeakPolarHBondContact CG-O 3.39Å; R263-L350 WeakPolarHBondContact O-CA 3.48Å; R263-Y351 HydrophobicContact CB-CD1 4.33Å; R263-Y351 HydrophobicContact CB-CD2 3.73Å; R263-Y351 HydrophobicContact CB-CE1 4.31Å; R263-Y351 HydrophobicContact CB-CE2 3.7Å; R263-Y351 HydrophobicContact CB-CG 4.05Å; R263-Y351 PolarHBondContact NE-OH 3.3Å; R263-Y351 PolarHBondContact NH2-OH 3.11Å; R263-Y351 PolarHBondContact O-N 3.08Å
264V92.5Very high90.9Very high22 Ų2258.1 Ų58.113%0.13330%0.301CS..G310 helixtrans-1065.9171.6-60.50000113.2Y255 L256 D261 M262 Y266 Y351Y255-V264 HydrophobicContact CD1-CG1 4.24Å; Y255-V264 HydrophobicContact CG-CG1 4.14Å; L256-V264 VanDerWaalsContact O-CG2 3.31Å; L256-V264 WeakPolarHBondContact O-CG2 3.03Å; D261-V264 HydrophobicContact CB-CG2 4.07Å; D261-V264 WeakPolarHBondContact O-CG2 3.23Å; D261-V264 PolarHBondContact O-N 3.17Å; M262-V264 PolarHBondContact O-N 2.83Å; V264-Y266 PolarHBondContact O-N 2.89Å; V264-Y351 HydrophobicContact CG1-CD2 3.33Å; V264-Y351 HydrophobicContact CG1-CE2 3.51Å
265A90.2Very high90.7Very high34 Ų3460.7 Ų60.728%0.28131%0.311SS..  trans-63.3132.1-177.600000110.5M262 I267M262-A265 VanDerWaalsContact O-CB 3.28Å; M262-A265 WeakPolarHBondContact O-CB 3.4Å; M262-A265 PolarHBondContact O-N 3.44Å; A265-I267 PolarHBondContact O-N 2.92Å; A265-I267 VanDerWaalsContact O-N 3.12Å
266Y94.5Very high90.5Very high26 Ų2664.7 Ų64.710%0.10233%0.326CS..  trans-73.9105.6170.2170-115.2000109.8I167 E169 Y197 V264 G268 R269I167-Y266 HydrophobicContact CG2-CE2 4.29Å; E169-Y266 HydrophobicContact CB-CD1 4.12Å; E169-Y266 HydrophobicContact CB-CD2 3.42Å; E169-Y266 VanDerWaalsContact CB-CD2 3.42Å; E169-Y266 HydrophobicContact CB-CE1 4.45Å; E169-Y266 HydrophobicContact CB-CE2 3.77Å; E169-Y266 HydrophobicContact CB-CG 3.6Å; E169-Y266 HydrophobicContact CG-CD1 4.18Å; E169-Y266 HydrophobicContact CG-CD2 4.15Å; E169-Y266 HydrophobicContact CG-CG 3.79Å; Y197-Y266 VanDerWaalsContact C-OH 3.29Å; Y197-Y266 WeakPolarHBondContact CB-OH 3.33Å; Y197-Y266 WeakPolarHBondContact O-CE2 3.23Å; Y197-Y266 PolarHBondContact O-OH 3.37Å; V264-Y266 PolarHBondContact O-N 2.89Å; Y266-G268 VanDerWaalsContact CZ-CA 3.47Å; Y266-G268 WeakPolarHBondContact OH-CA 3.43Å; Y266-R269 HydrophobicContact CE1-CB 4.27Å; Y266-R269 PolarHBondContact OH-N 3.45Å
267I95.9Very high90.3Very high6 Ų665.8 Ų65.83%0.03134%0.339CS..  trans-87.3-4.1-17762.4166.4000113.4M162 I167 A265 E303 L304 F346 Y347 L350M162-I267 HydrophobicContact SD-CD1 4.04Å; I167-I267 HydrophobicContact CD1-CD1 3.76Å; I167-I267 HydrophobicContact CD1-CG1 4.17Å; I167-I267 HydrophobicContact CG1-CD1 4.09Å; I167-I267 HydrophobicContact CG1-CG1 4.32Å; I167-I267 HydrophobicContact CG2-CD1 4.47Å; I167-I267 HydrophobicContact CG2-CG1 3.79Å; A265-I267 PolarHBondContact O-N 2.92Å; A265-I267 VanDerWaalsContact O-N 3.12Å; I267-E303 CarbonylContact O-C 3.55Å; I267-E303 WeakPolarHBondContact O-CA 3.39Å; I267-E303 VanDerWaalsContact O-CB 3.3Å; I267-E303 WeakPolarHBondContact O-CB 3.46Å; I267-L304 HydrophobicContact CB-CD1 4.25Å; I267-L304 HydrophobicContact CD1-CD1 3.95Å; I267-L304 HydrophobicContact CG1-CD1 3.98Å; I267-L304 WeakPolarHBondContact O-CD1 3.29Å; I267-L304 PolarHBondContact O-N 3.13Å; I267-L304 VanDerWaalsContact O-N 3.09Å; I267-F346 HydrophobicContact CG2-CE1 3.82Å; I267-F346 HydrophobicContact CG2-CZ 4.25Å; I267-Y347 HydrophobicContact CD1-CD1 3.59Å; I267-Y347 HydrophobicContact CD1-CE1 3.82Å; I267-L350 HydrophobicContact CD1-CD1 3.79Å; I267-L350 HydrophobicContact CG1-CD1 4.36Å; I267-L350 HydrophobicContact CG2-CD1 4.21Å
268G96.9Very high90.2Very high0 Ų065 Ų650%033%0.334CS..SBendtrans-59.1-63.4-172.800000110.9Y266 L304 F305Y266-G268 VanDerWaalsContact CZ-CA 3.47Å; Y266-G268 WeakPolarHBondContact OH-CA 3.43Å; G268-L304 WeakPolarHBondContact O-CB 3.37Å; G268-L304 PolarHBondContact O-N 3.41Å; G268-F305 PolarHBondContact O-N 2.93Å
269R96.5Very high89.5Confident6 Ų669.8 Ų69.82%0.02335%0.35CS..EExtended strand (participates in β ladder)trans-130.8131.7-172.3-86.348.5159-155.34.4110.4N141 E146 Y197 M198 Y266 V271 F305N141-R269 PolarHBondContact O-NH2 3.14Å; N141-R269 PolarHBondContact OD1-NH2 2.82Å; E146-R269 WeakPolarHBondContact OE1-CG 2.99Å; E146-R269 IonicContact OE1-NE 2.61Å; Y197-R269 HydrophobicContact CD1-CG 4.27Å; Y197-R269 HydrophobicContact CD2-CB 4.39Å; Y197-R269 HydrophobicContact CD2-CG 3.85Å; Y197-R269 HydrophobicContact CG-CG 3.7Å; M198-R269 PolarHBondContact O-NH1 2.89Å; M198-R269 PolarHBondContact O-NH2 3.26Å; Y266-R269 HydrophobicContact CE1-CB 4.27Å; Y266-R269 PolarHBondContact OH-N 3.45Å; R269-V271 HydrophobicContact CB-CG2 4.04Å; R269-V271 PolarHBondContact O-N 3.04Å; R269-F305 CarbonylContact C-O 3.5Å; R269-F305 WeakPolarHBondContact CA-O 3.49Å; R269-F305 HydrophobicContact CG-CB 4.3Å
270Y95Very high89.3Confident25 Ų2572 Ų7210%0.09835%0.349CS..EExtended strand (participates in β ladder)trans-73.2115.8160.9174.1-113.4000109I290 I294 R301 F305 A306 N307Y270-I290 HydrophobicContact CD1-CD1 4.31Å; Y270-I290 HydrophobicContact CE1-CD1 4.49Å; Y270-I294 HydrophobicContact CE1-CD1 3.58Å; Y270-I294 HydrophobicContact CE1-CG1 3.68Å; Y270-I294 VanDerWaalsContact CZ-CD1 3.48Å; Y270-I294 WeakPolarHBondContact OH-CD1 3.34Å; Y270-R301 VanDerWaalsContact CE2-CZ 3.4Å; Y270-F305 PolarHBondContact N-O 2.78Å; Y270-A306 HydrophobicContact CD1-CB 4.15Å; Y270-N307 PolarHBondContact O-N 3.47Å; Y270-N307 VanDerWaalsContact O-O 3.13Å
271V93Very high88.4Confident26 Ų2671.8 Ų71.816%0.15834%0.343CS..EExtended strand (participates in β ladder)trans-126.7133.2174.6-174.90000108.8R269 W273 I287 N307R269-V271 HydrophobicContact CB-CG2 4.04Å; R269-V271 PolarHBondContact O-N 3.04Å; V271-W273 HydrophobicContact CG1-CD2 4.13Å; V271-W273 HydrophobicContact CG1-CG 4.47Å; V271-W273 HydrophobicContact CG1-CZ2 4.18Å; V271-I287 HydrophobicContact CG1-CD1 4.19Å; V271-I287 HydrophobicContact CG1-CG1 4.04Å; V271-I287 HydrophobicContact CG1-CG2 3.89Å; V271-N307 HydrophobicContact CG2-CB 4.22Å
272K90.4Very high88.1Confident44 Ų4473.6 Ų73.619%0.19135%0.349CS..  trans-99.9104.9169.2-170.4171.2-179.11760110P277 C288K272-P277 WeakPolarHBondContact CE-O 3.4Å; K272-P277 PolarHBondContact NZ-O 2.97Å; K272-C288 HydrophobicContact CB-CB 4.08Å; K272-C288 HydrophobicContact CD-CB 4.22Å; K272-C288 HydrophobicContact CG-CB 3.93Å; K272-C288 VanDerWaalsContact O-CB 3.23Å; K272-C288 WeakPolarHBondContact O-CB 3.49Å; K272-C288 PolarHBondContact O-N 3.12Å
273W89Confident87.9Confident101 Ų10171.2 Ų71.238%0.38334%0.338SS..BIsolated β-bridgetrans-73.1148177.6-63.6101.9000112.2V271 N275 R276 I287V271-W273 HydrophobicContact CG1-CD2 4.13Å; V271-W273 HydrophobicContact CG1-CG 4.47Å; V271-W273 HydrophobicContact CG1-CZ2 4.18Å; W273-N275 WeakPolarHBondContact CB-OD1 3.37Å; W273-N275 PolarHBondContact O-N 3.2Å; W273-R276 PolarHBondContact O-N 3.4Å; W273-I287 HydrophobicContact CE3-CG1 4.2Å; W273-I287 HydrophobicContact CZ3-CG1 4Å
274A87Confident87.6Confident37 Ų3770.4 Ų70.431%0.30634%0.335SS..THydrogen-bonded Turntrans-65.3-19.9-176.200000114.3R276 I283 G286A274-R276 PolarHBondContact O-N 2.64Å; A274-I283 HydrophobicContact CB-CD1 3.79Å; A274-I283 HydrophobicContact CB-CG1 3.99Å; A274-I283 HydrophobicContact CB-CG2 3.83Å; A274-G286 VanDerWaalsContact CB-O 3.23Å; A274-G286 WeakPolarHBondContact CB-O 3.44Å; A274-G286 PolarHBondContact N-O 3.46Å
275N85.6Confident87.2Confident141 Ų14173.8 Ų73.875%0.75435%0.352SS*.THydrogen-bonded Turntrans-72.8-9.5173.166.5-13.7000113.2W273W273-N275 WeakPolarHBondContact CB-OD1 3.37Å; W273-N275 PolarHBondContact O-N 3.2Å
276R83.3Confident87.1Confident127 Ų12773.8 Ų73.848%0.47936%0.356SS..SBendtrans-100.3155171.4-57.9-164-174.3-149.34109.8D259 W273 A274 C278D259-R276 IonicContact OD1-NH2 2.66Å; D259-R276 IonicContact OD2-CZ 2.91Å; D259-R276 IonicContact OD2-NH1 2.7Å; D259-R276 PolarHBondContact OD2-NH1 3.22Å; D259-R276 VanDerWaalsContact OD2-NH1 3.12Å; D259-R276 IonicContact OD2-NH2 2.66Å; D259-R276 PolarHBondContact OD2-NH2 2.99Å; W273-R276 PolarHBondContact O-N 3.4Å; A274-R276 PolarHBondContact O-N 2.64Å; R276-C278 PolarHBondContact O-N 3.42Å
277P85.4Confident86.9Confident114 Ų11473.8 Ų73.874%0.7436%0.357SS*.  trans-52.1104.9-176.7-29.335.4000113.5K272K272-P277 WeakPolarHBondContact CE-O 3.4Å; K272-P277 PolarHBondContact NZ-O 2.97Å
278C83.6Confident86.8Confident22 Ų2273.7 Ų73.715%0.14936%0.357CS..  trans-95105.5-177.9-175.40000110.4R276 R280 E281 C288R276-C278 PolarHBondContact O-N 3.42Å; C278-R280 PolarHBondContact O-N 3.06Å; C278-E281 PolarHBondContact O-N 3.42Å; C278-C288 WeakPolarHBondContact CA-SG 3.31Å; C278-C288 HydrophobicContact CB-CB 3.78Å; C278-C288 WeakPolarHBondContact CB-SG 3.35Å; C278-C288 WeakPolarHBondContact SG-CB 3.4Å; C278-C288 CovalentContact SG-SG 2.03Å; C278-C288 PolarHBondContact SG-SG 3.34Å
279K73.1Confident86.6Confident143 Ų14374.2 Ų74.262%0.62236%0.36SS*.THydrogen-bonded Turntrans-66.5127.6179.9-75.8-177.8172.6-175.90109.6E281K279-E281 PolarHBondContact O-N 3.23Å
280R75.9Confident86.4Confident169 Ų16974.2 Ų74.264%0.63836%0.36SS*.THydrogen-bonded Turntrans64.615.3-175.9-58.5177.9176.7147.1-4.9115.3C278 K282 F313 E314C278-R280 PolarHBondContact O-N 3.06Å; R280-K282 PolarHBondContact O-N 3.36Å; R280-F313 HydrophobicContact CB-CE2 4.41Å; R280-F313 HydrophobicContact CB-CZ 4.38Å; R280-E314 WeakPolarHBondContact CD-OE1 3.26Å; R280-E314 IonicContact CZ-OE1 2.86Å; R280-E314 IonicContact NE-OE1 3.74Å; R280-E314 IonicContact NH1-OE1 2.65Å; R280-E314 PolarHBondContact NH1-OE1 2.76Å; R280-E314 IonicContact NH1-OE2 3.27Å; R280-E314 PolarHBondContact NH1-OE2 3.29Å
281E70Confident86.2Confident162 Ų16273.2 Ų73.276%0.75736%0.357SS*.  trans54.911.4162.2-58.4-176.4166.100117.8C278 K279 I283C278-E281 PolarHBondContact O-N 3.42Å; K279-E281 PolarHBondContact O-N 3.23Å; E281-I283 PolarHBondContact O-N 2.86Å
282K86.8Confident86.2Confident86 Ų8675.1 Ų75.137%0.37437%0.366SS..  trans-77.799.8178.3-155.8167.3-177.9170.70110.1R280 L289 N312 F313R280-K282 PolarHBondContact O-N 3.36Å; K282-L289 HydrophobicContact CB-CD1 4.3Å; K282-L289 HydrophobicContact CD-CD1 3.85Å; K282-L289 HydrophobicContact CG-CD1 3.76Å; K282-L289 HydrophobicContact CG-CG 4.41Å; K282-L289 WeakPolarHBondContact O-CG 3.47Å; K282-L289 PolarHBondContact O-N 3.09Å; K282-N312 PolarHBondContact NZ-O 2.66Å; K282-F313 HydrophobicContact CB-CD2 3.83Å; K282-F313 HydrophobicContact CB-CE1 4.48Å; K282-F313 HydrophobicContact CB-CE2 3.57Å; K282-F313 HydrophobicContact CB-CG 4.36Å; K282-F313 HydrophobicContact CB-CZ 3.92Å; K282-F313 HydrophobicContact CD-CB 3.91Å; K282-F313 HydrophobicContact CD-CD2 3.28Å; K282-F313 HydrophobicContact CD-CE2 3.92Å; K282-F313 HydrophobicContact CD-CG 3.72Å; K282-F313 HydrophobicContact CG-CD2 4.16Å; K282-F313 HydrophobicContact CG-CE2 4.39Å
283I87.2Confident86.1Confident83 Ų8375.5 Ų75.543%0.42637%0.374SS..EExtended strand (participates in β ladder)trans-109.1139.8-178.8-64.4157.9000109.3A274 E281 I287A274-I283 HydrophobicContact CB-CD1 3.79Å; A274-I283 HydrophobicContact CB-CG1 3.99Å; A274-I283 HydrophobicContact CB-CG2 3.83Å; E281-I283 PolarHBondContact O-N 2.86Å; I283-I287 CarbonylContact C-O 3.5Å; I283-I287 WeakPolarHBondContact CA-O 3.3Å
284R87.3Confident86Confident104 Ų10471.6 Ų71.639%0.39236%0.36SS..EExtended strand (participates in β ladder)trans-134.8120.1170.4-175.1173.6175.4-176.6-0.4109.2G286 I287 L289R284-G286 VanDerWaalsContact C-N 3.29Å; R284-G286 PolarHBondContact O-N 3.04Å; R284-I287 PolarHBondContact N-O 3.09Å; R284-I287 PolarHBondContact O-N 2.98Å; R284-L289 HydrophobicContact CB-CD2 4.21Å
285N85.7Confident86.1Confident93 Ų9370.9 Ų70.950%0.49735%0.352SS..THydrogen-bonded Turntrans51.643.8-178.8-56.3-2.8000113W112 I287W112-N285 HydrophobicContact CZ2-CB 4.38Å; N285-I287 PolarHBondContact O-N 2.56Å
286G87.6Confident86.4Confident34 Ų3469 Ų6935%0.35135%0.347SS..THydrogen-bonded Turntrans77.30.9-179.100000115.5A274 R284A274-G286 VanDerWaalsContact CB-O 3.23Å; A274-G286 WeakPolarHBondContact CB-O 3.44Å; A274-G286 PolarHBondContact N-O 3.46Å; R284-G286 VanDerWaalsContact C-N 3.29Å; R284-G286 PolarHBondContact O-N 3.04Å
287I90.4Very high86.8Confident26 Ų2664.6 Ų64.613%0.13334%0.336CS..EExtended strand (participates in β ladder)trans-104.4127.7177.4-59.1174.3000109.7V271 W273 I283 R284 N285 K308V271-I287 HydrophobicContact CG1-CD1 4.19Å; V271-I287 HydrophobicContact CG1-CG1 4.04Å; V271-I287 HydrophobicContact CG1-CG2 3.89Å; W273-I287 HydrophobicContact CE3-CG1 4.2Å; W273-I287 HydrophobicContact CZ3-CG1 4Å; I283-I287 CarbonylContact C-O 3.5Å; I283-I287 WeakPolarHBondContact CA-O 3.3Å; R284-I287 PolarHBondContact N-O 3.09Å; R284-I287 PolarHBondContact O-N 2.98Å; N285-I287 PolarHBondContact O-N 2.56Å; I287-K308 HydrophobicContact CG2-CB 4.15Å
288C92.4Very high87.1Confident4 Ų459.3 Ų59.33%0.02730%0.301CS..EExtended strand (participates in β ladder)trans-72.3124.6170-175.70000109.2K272 C278K272-C288 HydrophobicContact CB-CB 4.08Å; K272-C288 HydrophobicContact CD-CB 4.22Å; K272-C288 HydrophobicContact CG-CB 3.93Å; K272-C288 VanDerWaalsContact O-CB 3.23Å; K272-C288 WeakPolarHBondContact O-CB 3.49Å; K272-C288 PolarHBondContact O-N 3.12Å; C278-C288 WeakPolarHBondContact CA-SG 3.31Å; C278-C288 HydrophobicContact CB-CB 3.78Å; C278-C288 WeakPolarHBondContact CB-SG 3.35Å; C278-C288 WeakPolarHBondContact SG-CB 3.4Å; C278-C288 CovalentContact SG-SG 2.03Å; C278-C288 PolarHBondContact SG-SG 3.34Å
289L93Very high87.5Confident11 Ų1160 Ų606%0.05831%0.305CS..PPolyproline II helixtrans-66.4144178.4-61.7-172.5000111K282 R284 G291 K308 F313K282-L289 HydrophobicContact CB-CD1 4.3Å; K282-L289 HydrophobicContact CD-CD1 3.85Å; K282-L289 HydrophobicContact CG-CD1 3.76Å; K282-L289 HydrophobicContact CG-CG 4.41Å; K282-L289 WeakPolarHBondContact O-CG 3.47Å; K282-L289 PolarHBondContact O-N 3.09Å; R284-L289 HydrophobicContact CB-CD2 4.21Å; L289-G291 PolarHBondContact O-N 2.89Å; L289-K308 WeakPolarHBondContact CA-O 3.34Å; L289-K308 HydrophobicContact CD2-CB 4.02Å; L289-K308 HydrophobicContact CD2-CD 4.5Å; L289-K308 HydrophobicContact CD2-CG 4.13Å; L289-F313 HydrophobicContact CB-CD1 3.43Å; L289-F313 VanDerWaalsContact CB-CD1 3.43Å; L289-F313 HydrophobicContact CB-CE1 3.72Å; L289-F313 HydrophobicContact CB-CG 4.18Å; L289-F313 HydrophobicContact CD1-CB 3.95Å; L289-F313 HydrophobicContact CD1-CD1 4.21Å; L289-F313 HydrophobicContact CD1-CG 4.13Å; L289-F313 HydrophobicContact CG-CD1 4.47Å; L289-F313 WeakPolarHBondContact O-CE1 3.41Å
290I92.5Very high88.5Confident7 Ų761.5 Ų61.54%0.03631%0.312CS..PPolyproline II helixtrans-75123.4178.1-67.2172.8000109.4Y270 I294 A306 K308 Y309Y270-I290 HydrophobicContact CD1-CD1 4.31Å; Y270-I290 HydrophobicContact CE1-CD1 4.49Å; I290-I294 HydrophobicContact CG2-CB 4.33Å; I290-I294 HydrophobicContact CG2-CG2 3.39Å; I290-A306 HydrophobicContact CD1-CB 3.71Å; I290-K308 PolarHBondContact N-O 3.14Å; I290-Y309 HydrophobicContact CB-CD1 3.95Å; I290-Y309 HydrophobicContact CB-CE1 3.84Å; I290-Y309 HydrophobicContact CB-CG 4.34Å; I290-Y309 HydrophobicContact CD1-CD2 4.1Å; I290-Y309 HydrophobicContact CD1-CE1 4.35Å; I290-Y309 HydrophobicContact CD1-CE2 3.62Å; I290-Y309 HydrophobicContact CG2-CD1 3.83Å; I290-Y309 HydrophobicContact CG2-CE1 3.26Å; I290-Y309 HydrophobicContact CG2-CE2 4.47Å
291G91.8Very high89.3Confident3 Ų356.7 Ų56.73%0.03129%0.294CS..  trans-125.5-172.4171.200000112.1L289 S293 I294 E314 A317L289-G291 PolarHBondContact O-N 2.89Å; G291-S293 PolarHBondContact O-N 3.37Å; G291-I294 WeakPolarHBondContact O-CG2 3.48Å; G291-I294 PolarHBondContact O-N 3.35Å; G291-I294 VanDerWaalsContact O-N 3.14Å; G291-E314 WeakPolarHBondContact CA-OE2 3.38Å; G291-A317 VanDerWaalsContact C-CB 3.41Å
292I91.5Very high90.5Very high66 Ų6651.2 Ų51.234%0.33827%0.269SS..G310 helixtrans-56.6-25.1-173.467.2-175.5000113.8I294 L295 E314 I316 A317I292-I294 PolarHBondContact O-N 3.21Å; I292-L295 HydrophobicContact CB-CD1 4.13Å; I292-L295 HydrophobicContact CG2-CD1 4.35Å; I292-L295 WeakPolarHBondContact O-CB 3.28Å; I292-L295 WeakPolarHBondContact O-CG 3.14Å; I292-L295 PolarHBondContact O-N 3.41Å; I292-L295 VanDerWaalsContact O-N 3.13Å; I292-E314 WeakPolarHBondContact CG1-OE2 3.25Å; I292-E314 HydrophobicContact CG2-CB 4.42Å; I292-E314 WeakPolarHBondContact CG2-OE2 3.44Å; I292-E314 PolarHBondContact N-OE2 3.36Å; I292-I316 HydrophobicContact CG2-CG2 3.25Å; I292-A317 HydrophobicContact CG2-CB 4.42Å
293S88.6Confident91Very high53 Ų5348.3 Ų48.337%0.37126%0.256SS..G310 helixtrans-63.9-20.6-178.169.80000113.9G291G291-S293 PolarHBondContact O-N 3.37Å
294I87Confident91.5Very high18 Ų1844.3 Ų44.39%0.09224%0.236CC..G310 helixtrans-83.4-23.2177.3-156.762.5000113.1Y270 I290 G291 I292 P296 S297 I298Y270-I294 HydrophobicContact CE1-CD1 3.58Å; Y270-I294 HydrophobicContact CE1-CG1 3.68Å; Y270-I294 VanDerWaalsContact CZ-CD1 3.48Å; Y270-I294 WeakPolarHBondContact OH-CD1 3.34Å; I290-I294 HydrophobicContact CG2-CB 4.33Å; I290-I294 HydrophobicContact CG2-CG2 3.39Å; G291-I294 WeakPolarHBondContact O-CG2 3.48Å; G291-I294 PolarHBondContact O-N 3.35Å; G291-I294 VanDerWaalsContact O-N 3.14Å; I292-I294 PolarHBondContact O-N 3.21Å; I294-P296 VanDerWaalsContact C-N 3.31Å; I294-P296 VanDerWaalsContact O-N 3.11Å; I294-S297 WeakPolarHBondContact CD1-OG 3.08Å; I294-S297 WeakPolarHBondContact CG1-OG 3.35Å; I294-S297 WeakPolarHBondContact O-CA 3.39Å; I294-S297 WeakPolarHBondContact O-CB 3.29Å; I294-S297 PolarHBondContact O-N 2.97Å; I294-S297 PolarHBondContact O-OG 2.03Å; I294-I298 HydrophobicContact CG1-CD1 4.33Å; I294-I298 HydrophobicContact CG2-CD1 3.92Å; I294-I298 HydrophobicContact CG2-CG1 4.04Å; I294-I298 PolarHBondContact O-N 3.35Å
295L90Very high92Very high23 Ų2339.4 Ų39.412%0.1222%0.217CC..G310 helixtrans-51.4-40.5-167.8-64.7176.6000114.1I292 S297 I298 A317 C320I292-L295 HydrophobicContact CB-CD1 4.13Å; I292-L295 HydrophobicContact CG2-CD1 4.35Å; I292-L295 WeakPolarHBondContact O-CB 3.28Å; I292-L295 WeakPolarHBondContact O-CG 3.14Å; I292-L295 PolarHBondContact O-N 3.41Å; I292-L295 VanDerWaalsContact O-N 3.13Å; L295-S297 PolarHBondContact O-N 2.68Å; L295-I298 HydrophobicContact CD2-CG1 4.47Å; L295-I298 PolarHBondContact O-N 3.15Å; L295-A317 HydrophobicContact CD2-CB 4.48Å; L295-C320 HydrophobicContact CD1-CB 3.72Å; L295-C320 HydrophobicContact CD2-CB 3.52Å; L295-C320 HydrophobicContact CG-CB 4.24Å
296P92.1Very high92.5Very high102 Ų10235 Ų3566%0.66219%0.194SC*.G310 helixtrans-63.9-22.5177.1-22.835.2000114.5I294I294-P296 VanDerWaalsContact C-N 3.31Å; I294-P296 VanDerWaalsContact O-N 3.11Å
297S91Very high92.8Very high34 Ų3433.5 Ų33.524%0.23818%0.178CC..G310 helixtrans-93.3-18.3-179.373.50000113.7I294 L295 P299 K300 R301I294-S297 WeakPolarHBondContact CD1-OG 3.08Å; I294-S297 WeakPolarHBondContact CG1-OG 3.35Å; I294-S297 WeakPolarHBondContact O-CA 3.39Å; I294-S297 WeakPolarHBondContact O-CB 3.29Å; I294-S297 PolarHBondContact O-N 2.97Å; I294-S297 PolarHBondContact O-OG 2.03Å; L295-S297 PolarHBondContact O-N 2.68Å; S297-P299 VanDerWaalsContact C-N 3.34Å; S297-K300 WeakPolarHBondContact O-CA 3.38Å; S297-K300 PolarHBondContact O-N 3.15Å; S297-R301 WeakPolarHBondContact O-CG 3.39Å; S297-R301 PolarHBondContact O-N 2.87Å; S297-R301 VanDerWaalsContact O-N 3.16Å
298I91.5Very high93Very high3 Ų333.4 Ų33.42%0.01518%0.177CC..G310 helixtrans-49.8-47.6-177.9-68.5-70.3000112L149 I294 L295 K300 R301 T321 Y324L149-I298 HydrophobicContact CD2-CD1 3.56Å; L149-I298 HydrophobicContact CD2-CG2 4.01Å; I294-I298 HydrophobicContact CG1-CD1 4.33Å; I294-I298 HydrophobicContact CG2-CD1 3.92Å; I294-I298 HydrophobicContact CG2-CG1 4.04Å; I294-I298 PolarHBondContact O-N 3.35Å; L295-I298 HydrophobicContact CD2-CG1 4.47Å; L295-I298 PolarHBondContact O-N 3.15Å; I298-K300 PolarHBondContact O-N 3.09Å; I298-R301 PolarHBondContact O-N 3.39Å; I298-T321 HydrophobicContact CD1-CG2 4.46Å; I298-T321 HydrophobicContact CG2-CG2 4.44Å; I298-Y324 HydrophobicContact CG2-CD1 3.7Å; I298-Y324 HydrophobicContact CG2-CE1 3.96Å; I298-Y324 HydrophobicContact CG2-CG 4.34Å
299P92.4Very high93.1Very high36 Ų3633.3 Ų33.323%0.23418%0.176CC..G310 helixtrans-66.3-19.7-180-22.335.2000115S297 Y324S297-P299 VanDerWaalsContact C-N 3.34Å; P299-Y324 WeakPolarHBondContact CA-OH 3.35Å; P299-Y324 HydrophobicContact CB-CE2 4.02Å; P299-Y324 HydrophobicContact CG-CD2 4.39Å; P299-Y324 HydrophobicContact CG-CE2 3.83Å
300K93.2Very high93Very high175 Ų17533.7 Ų33.776%0.76118%0.179SC*.G310 helixtrans-98.3-8.4-177.1-57.8-178.5-179.5-176.20113S297 I298S297-K300 WeakPolarHBondContact O-CA 3.38Å; S297-K300 PolarHBondContact O-N 3.15Å; I298-K300 PolarHBondContact O-N 3.09Å
301R93.5Very high92.8Very high68 Ų6836.2 Ų36.226%0.25719%0.191SC..  trans-65.9147.5178.7-68.1-45.8-62.6-175.50.4110.2L149 R150 Y270 S297 I298 E303L149-R301 HydrophobicContact CD1-CB 3.76Å; L149-R301 HydrophobicContact CD1-CG 4.08Å; R150-R301 PolarHBondContact NH1-O 3.49Å; R150-R301 PolarHBondContact NH2-O 3.45Å; Y270-R301 VanDerWaalsContact CE2-CZ 3.4Å; S297-R301 WeakPolarHBondContact O-CG 3.39Å; S297-R301 PolarHBondContact O-N 2.87Å; S297-R301 VanDerWaalsContact O-N 3.16Å; I298-R301 PolarHBondContact O-N 3.39Å; R301-E303 WeakPolarHBondContact CB-OE2 3.36Å; R301-E303 IonicContact CZ-OE1 3.4Å; R301-E303 IonicContact CZ-OE2 3.12Å; R301-E303 IonicContact NE-OE1 3.27Å; R301-E303 IonicContact NE-OE2 2.53Å; R301-E303 PolarHBondContact NE-OE2 3.48Å; R301-E303 VanDerWaalsContact NH2-CD 3.32Å; R301-E303 IonicContact NH2-OE1 3.46Å; R301-E303 PolarHBondContact NH2-OE1 2.95Å; R301-E303 IonicContact NH2-OE2 2.72Å; R301-E303 PolarHBondContact NH2-OE2 2.82Å
302M94.7Very high92.6Very high46 Ų4642.2 Ų42.223%0.22722%0.222CC..  trans-101.9-10.6177.9-62.5-53.6-74.300113.1R150 N343 F346 Y347R150-M302 VanDerWaalsContact NH2-CA 3.31Å; M302-N343 HydrophobicContact CE-CB 4.38Å; M302-F346 HydrophobicContact CB-CD1 4.38Å; M302-F346 HydrophobicContact CB-CE1 3.84Å; M302-F346 HydrophobicContact CB-CZ 4.34Å; M302-F346 HydrophobicContact CE-CB 3.63Å; M302-F346 HydrophobicContact CE-CD1 3.19Å; M302-F346 HydrophobicContact CE-CD2 4.31Å; M302-F346 HydrophobicContact CE-CE1 3.87Å; M302-F346 HydrophobicContact CE-CG 3.44Å; M302-F346 VanDerWaalsContact CE-CG 3.44Å; M302-F346 HydrophobicContact CG-CD1 4.4Å; M302-F346 HydrophobicContact CG-CE1 4.15Å; M302-F346 HydrophobicContact CG-CZ 4.43Å; M302-Y347 HydrophobicContact CE-CE2 4.04Å; M302-Y347 WeakPolarHBondContact O-CE1 3.42Å; M302-Y347 PolarHBondContact O-OH 3.35Å
303E96.7Very high92.7Very high25 Ų2540.1 Ų40.112%0.11721%0.21CC..SBendtrans-76.3161-175-58.383.3177.100113.4L149 I267 R301L149-E303 WeakPolarHBondContact CB-O 3.38Å; L149-E303 HydrophobicContact CD1-CB 4.17Å; I267-E303 CarbonylContact O-C 3.55Å; I267-E303 WeakPolarHBondContact O-CA 3.39Å; I267-E303 VanDerWaalsContact O-CB 3.3Å; I267-E303 WeakPolarHBondContact O-CB 3.46Å; R301-E303 WeakPolarHBondContact CB-OE2 3.36Å; R301-E303 IonicContact CZ-OE1 3.4Å; R301-E303 IonicContact CZ-OE2 3.12Å; R301-E303 IonicContact NE-OE1 3.27Å; R301-E303 IonicContact NE-OE2 2.53Å; R301-E303 PolarHBondContact NE-OE2 3.48Å; R301-E303 VanDerWaalsContact NH2-CD 3.32Å; R301-E303 IonicContact NH2-OE1 3.46Å; R301-E303 PolarHBondContact NH2-OE1 2.95Å; R301-E303 IonicContact NH2-OE2 2.72Å; R301-E303 PolarHBondContact NH2-OE2 2.82Å
304L97.8Very high92.8Very high0 Ų039.1 Ų39.10%020%0.2CC..SBendtrans-77.3-42.3-178.8-71.168.3000111.1L140 L149 L155 L158 I167 I267 G268L140-L304 HydrophobicContact CD2-CD2 3.69Å; L149-L304 PolarHBondContact N-O 2.86Å; L155-L304 HydrophobicContact CD2-CB 3.93Å; L155-L304 HydrophobicContact CD2-CD2 3.82Å; L155-L304 HydrophobicContact CD2-CG 3.7Å; L158-L304 HydrophobicContact CD1-CD1 4.43Å; L158-L304 HydrophobicContact CD2-CG 4.47Å; I167-L304 HydrophobicContact CD1-CD1 3.82Å; I167-L304 HydrophobicContact CD1-CD2 3.67Å; I167-L304 HydrophobicContact CD1-CG 4.42Å; I267-L304 HydrophobicContact CB-CD1 4.25Å; I267-L304 HydrophobicContact CD1-CD1 3.95Å; I267-L304 HydrophobicContact CG1-CD1 3.98Å; I267-L304 WeakPolarHBondContact O-CD1 3.29Å; I267-L304 PolarHBondContact O-N 3.13Å; I267-L304 VanDerWaalsContact O-N 3.09Å; G268-L304 WeakPolarHBondContact O-CB 3.37Å; G268-L304 PolarHBondContact O-N 3.41Å
305F98.1Very high93.1Very high0 Ų041.2 Ų41.20%022%0.215CC..EExtended strand (participates in β ladder)trans-134.9163.5-177.6-68.3-95.9000111.1F47 I65 L140 V142 L147 P148 G268 R269 Y270F47-F305 HydrophobicContact CE1-CZ 4.15Å; I65-F305 HydrophobicContact CG2-CE1 4.02Å; I65-F305 HydrophobicContact CG2-CZ 4.32Å; L140-F305 HydrophobicContact CD2-CE2 4.12Å; V142-F305 HydrophobicContact CG1-CD1 4.04Å; V142-F305 HydrophobicContact CG1-CE1 4.04Å; V142-F305 HydrophobicContact CG2-CD1 4.45Å; V142-F305 HydrophobicContact CG2-CE1 3.96Å; V142-F305 HydrophobicContact CG2-CE2 4.27Å; V142-F305 HydrophobicContact CG2-CZ 3.88Å; L147-F305 CarbonylContact O-C 3.35Å; L147-F305 WeakPolarHBondContact O-CA 3.42Å; P148-F305 HydrophobicContact CB-CD1 4.11Å; P148-F305 HydrophobicContact CB-CE1 3.81Å; P148-F305 HydrophobicContact CB-CZ 4.42Å; G268-F305 PolarHBondContact O-N 2.93Å; R269-F305 CarbonylContact C-O 3.5Å; R269-F305 WeakPolarHBondContact CA-O 3.49Å; R269-F305 HydrophobicContact CG-CB 4.3Å; Y270-F305 PolarHBondContact N-O 2.78Å
306A96.5Very high93.2Very high0 Ų043.5 Ų43.50%023%0.227CC..EExtended strand (participates in β ladder)trans-122.1133.6173.900000111.8E146 L147 L149 Y270 I290 Y309E146-A306 VanDerWaalsContact CA-O 3.31Å; E146-A306 WeakPolarHBondContact CA-O 3.42Å; L147-A306 PolarHBondContact N-O 2.78Å; L147-A306 PolarHBondContact O-N 3.08Å; L149-A306 HydrophobicContact CD1-CB 3.88Å; L149-A306 HydrophobicContact CD2-CB 3.86Å; L149-A306 HydrophobicContact CG-CB 3.83Å; Y270-A306 HydrophobicContact CD1-CB 4.15Å; I290-A306 HydrophobicContact CD1-CB 3.71Å; A306-Y309 HydrophobicContact CB-CE2 3.87Å
307N95Very high93.3Very high3 Ų338.7 Ų38.72%0.01620%0.195CC..EExtended strand (participates in β ladder)trans-127.7134.9178.8-171.7-98.7000109.9E146 Y270 V271E146-N307 HydrophobicContact CG-CB 3.77Å; E146-N307 VanDerWaalsContact CG-ND2 3.3Å; E146-N307 WeakPolarHBondContact CG-ND2 3.5Å; Y270-N307 PolarHBondContact O-N 3.47Å; Y270-N307 VanDerWaalsContact O-O 3.13Å; V271-N307 HydrophobicContact CG2-CB 4.22Å
308K93.4Very high93.5Very high25 Ų2537.3 Ų37.311%0.10919%0.185CC..  cis-128.8129.38.1-171.6157.9149.6156.90111.7Q145 I287 L289 I290Q145-K308 HydrophobicContact CB-CD 4.16Å; Q145-K308 HydrophobicContact CB-CG 3.68Å; Q145-K308 VanDerWaalsContact NE2-CE 3.28Å; I287-K308 HydrophobicContact CG2-CB 4.15Å; L289-K308 WeakPolarHBondContact CA-O 3.34Å; L289-K308 HydrophobicContact CD2-CB 4.02Å; L289-K308 HydrophobicContact CD2-CD 4.5Å; L289-K308 HydrophobicContact CD2-CG 4.13Å; I290-K308 PolarHBondContact N-O 3.14Å
309Y94.1Very high93.6Very high2 Ų238.7 Ų38.71%0.00819%0.192CC..  trans-88.4155.7171-64.2-91.3000111.6Q145 L147 I290 A306 Y318 T321Q145-Y309 PolarHBondContact O-N 2.84Å; L147-Y309 HydrophobicContact CB-CD2 4.13Å; L147-Y309 HydrophobicContact CB-CE2 3.72Å; L147-Y309 HydrophobicContact CD1-CD1 4.46Å; L147-Y309 HydrophobicContact CD1-CD2 4.24Å; L147-Y309 HydrophobicContact CD1-CE1 4.27Å; L147-Y309 HydrophobicContact CD1-CE2 4.05Å; L147-Y309 HydrophobicContact CD1-CG 4.45Å; L147-Y309 HydrophobicContact CG-CD2 4.11Å; L147-Y309 HydrophobicContact CG-CE2 4.09Å; I290-Y309 HydrophobicContact CB-CD1 3.95Å; I290-Y309 HydrophobicContact CB-CE1 3.84Å; I290-Y309 HydrophobicContact CB-CG 4.34Å; I290-Y309 HydrophobicContact CD1-CD2 4.1Å; I290-Y309 HydrophobicContact CD1-CE1 4.35Å; I290-Y309 HydrophobicContact CD1-CE2 3.62Å; I290-Y309 HydrophobicContact CG2-CD1 3.83Å; I290-Y309 HydrophobicContact CG2-CE1 3.26Å; I290-Y309 HydrophobicContact CG2-CE2 4.47Å; A306-Y309 HydrophobicContact CB-CE2 3.87Å; Y309-Y318 HydrophobicContact CD1-CD2 4.13Å; Y309-Y318 HydrophobicContact CD1-CG 4.48Å; Y309-Y318 AromaticContact CG-CD2 3.88Å; Y309-Y318 HydrophobicContact CG-CD2 3.88Å; Y309-T321 WeakPolarHBondContact OH-CG2 3.47Å; Y309-T321 PolarHBondContact OH-OG1 3.11Å
310S92Very high93.8Very high18 Ų1837.1 Ų37.113%0.12618%0.182CC..BIsolated β-bridgetrans-143.6134170.1-179.30000109.4N312 F313S310-N312 PolarHBondContact O-N 2.92Å; S310-N312 PolarHBondContact OG-N 2.93Å; S310-F313 CarbonylContact O-C 3.58Å; S310-F313 PolarHBondContact O-N 2.66Å
311E87.1Confident93.9Very high60 Ų6028.8 Ų28.828%0.2815%0.146SC..THydrogen-bonded Turntrans-57.5-30.2173.4-175.7170.5-156.100112.5N54 K56 Q57 F313N54-E311 PolarHBondContact ND2-OE2 2.69Å; N54-E311 PolarHBondContact OD1-OE2 3.19Å; K56-E311 WeakPolarHBondContact CD-OE1 3.3Å; K56-E311 WeakPolarHBondContact CE-OE1 3.33Å; K56-E311 IonicContact NZ-OE1 2.8Å; K56-E311 PolarHBondContact NZ-OE1 2.85Å; Q57-E311 HydrophobicContact CG-CB 4.48Å; E311-F313 PolarHBondContact O-N 3.43Å
312N89.3Confident94Very high130 Ų13026 Ų2670%0.69514%0.136SC*.THydrogen-bonded Turntrans-88.416.3179.9-59.2-25.2000113K282 S310K282-N312 PolarHBondContact NZ-O 2.66Å; S310-N312 PolarHBondContact O-N 2.92Å; S310-N312 PolarHBondContact OG-N 2.93Å
313F91.8Very high94.1Very high21 Ų2125.1 Ų25.19%0.09213%0.132CC..BIsolated β-bridgetrans-147.3104.8175.7-176.5-110.6000110.4R280 K282 L289 S310 E311R280-F313 HydrophobicContact CB-CE2 4.41Å; R280-F313 HydrophobicContact CB-CZ 4.38Å; K282-F313 HydrophobicContact CB-CD2 3.83Å; K282-F313 HydrophobicContact CB-CE1 4.48Å; K282-F313 HydrophobicContact CB-CE2 3.57Å; K282-F313 HydrophobicContact CB-CG 4.36Å; K282-F313 HydrophobicContact CB-CZ 3.92Å; K282-F313 HydrophobicContact CD-CB 3.91Å; K282-F313 HydrophobicContact CD-CD2 3.28Å; K282-F313 HydrophobicContact CD-CE2 3.92Å; K282-F313 HydrophobicContact CD-CG 3.72Å; K282-F313 HydrophobicContact CG-CD2 4.16Å; K282-F313 HydrophobicContact CG-CE2 4.39Å; L289-F313 HydrophobicContact CB-CD1 3.43Å; L289-F313 VanDerWaalsContact CB-CD1 3.43Å; L289-F313 HydrophobicContact CB-CE1 3.72Å; L289-F313 HydrophobicContact CB-CG 4.18Å; L289-F313 HydrophobicContact CD1-CB 3.95Å; L289-F313 HydrophobicContact CD1-CD1 4.21Å; L289-F313 HydrophobicContact CD1-CG 4.13Å; L289-F313 HydrophobicContact CG-CD1 4.47Å; L289-F313 WeakPolarHBondContact O-CE1 3.41Å; S310-F313 CarbonylContact O-C 3.58Å; S310-F313 PolarHBondContact O-N 2.66Å; E311-F313 PolarHBondContact O-N 3.43Å
314E92.4Very high94.1Very high32 Ų3225.6 Ų25.615%0.1513%0.133CC..  trans48.559.6176.9-60.2-178.2-156.500113.1R280 G291 I292 I316 A317R280-E314 WeakPolarHBondContact CD-OE1 3.26Å; R280-E314 IonicContact CZ-OE1 2.86Å; R280-E314 IonicContact NE-OE1 3.74Å; R280-E314 IonicContact NH1-OE1 2.65Å; R280-E314 PolarHBondContact NH1-OE1 2.76Å; R280-E314 IonicContact NH1-OE2 3.27Å; R280-E314 PolarHBondContact NH1-OE2 3.29Å; G291-E314 WeakPolarHBondContact CA-OE2 3.38Å; I292-E314 WeakPolarHBondContact CG1-OE2 3.25Å; I292-E314 HydrophobicContact CG2-CB 4.42Å; I292-E314 WeakPolarHBondContact CG2-OE2 3.44Å; I292-E314 PolarHBondContact N-OE2 3.36Å; E314-I316 PolarHBondContact O-N 2.97Å; E314-A317 VanDerWaalsContact O-CB 3.28Å; E314-A317 WeakPolarHBondContact O-CB 3.37Å; E314-A317 PolarHBondContact O-N 3.18Å
315P92.4Very high94.1Very high63 Ų6325.7 Ų25.741%0.40913%0.133SC..Hα-helixtrans-55.3-27.4-175.922.4-34.3000113.1A317 Y318 D319P315-A317 PolarHBondContact O-N 3.45Å; P315-A317 VanDerWaalsContact O-N 3.13Å; P315-Y318 WeakPolarHBondContact O-CA 3.12Å; P315-Y318 VanDerWaalsContact O-CB 3.27Å; P315-Y318 WeakPolarHBondContact O-CB 3.05Å; P315-Y318 PolarHBondContact O-N 3.15Å; P315-D319 VanDerWaalsContact O-CG 3.32Å; P315-D319 PolarHBondContact O-N 3.17Å
316I93Very high94.1Very high71 Ų7126.1 Ų26.136%0.36414%0.136SC..Hα-helixtrans-57.3-26.9173.5-164.2170.8000113.2V3 I292 E314 D319 C320V3-I316 HydrophobicContact CG1-CD1 4.47Å; I292-I316 HydrophobicContact CG2-CG2 3.25Å; E314-I316 PolarHBondContact O-N 2.97Å; I316-D319 PolarHBondContact O-N 3.5Å; I316-C320 VanDerWaalsContact O-CB 3.29Å; I316-C320 WeakPolarHBondContact O-CB 3.36Å; I316-C320 PolarHBondContact O-N 3.26Å; I316-C320 PolarHBondContact O-SG 2.93Å
317A93.4Very high94.1Very high0 Ų029.6 Ų29.60%015%0.152CC..Hα-helixtrans-69.1-39.5173.800000111.9G291 I292 L295 E314 P315 T321G291-A317 VanDerWaalsContact C-CB 3.41Å; I292-A317 HydrophobicContact CG2-CB 4.42Å; L295-A317 HydrophobicContact CD2-CB 4.48Å; E314-A317 VanDerWaalsContact O-CB 3.28Å; E314-A317 WeakPolarHBondContact O-CB 3.37Å; E314-A317 PolarHBondContact O-N 3.18Å; P315-A317 PolarHBondContact O-N 3.45Å; P315-A317 VanDerWaalsContact O-N 3.13Å; A317-T321 WeakPolarHBondContact O-CB 3.29Å; A317-T321 PolarHBondContact O-N 3.01Å; A317-T321 VanDerWaalsContact O-N 3.15Å; A317-T321 PolarHBondContact O-OG1 2.65Å
318Y94.6Very high94.2Very high5 Ų530.1 Ų30.12%0.0215%0.154CC..Hα-helixtrans-63.9-49.6171.3-168.5-69.1000109.6Q57 R60 L61 L147 Y309 P315 C320 T321 E322Q57-Y318 HydrophobicContact CG-CE2 4.17Å; Q57-Y318 PolarHBondContact O-OH 3.42Å; R60-Y318 HydrophobicContact CB-CE1 3.96Å; R60-Y318 WeakPolarHBondContact CB-OH 3.19Å; L61-Y318 PolarHBondContact N-OH 3.27Å; L147-Y318 HydrophobicContact CD1-CD1 3.76Å; L147-Y318 HydrophobicContact CD1-CD2 3.67Å; L147-Y318 HydrophobicContact CD1-CE1 3.88Å; L147-Y318 HydrophobicContact CD1-CE2 3.79Å; L147-Y318 HydrophobicContact CD1-CG 3.65Å; L147-Y318 HydrophobicContact CD2-CD1 4.48Å; L147-Y318 HydrophobicContact CD2-CE1 3.75Å; L147-Y318 HydrophobicContact CD2-CE2 3.82Å; L147-Y318 WeakPolarHBondContact CD2-OH 3.37Å; L147-Y318 HydrophobicContact CG-CD1 4.49Å; L147-Y318 HydrophobicContact CG-CD2 3.99Å; L147-Y318 HydrophobicContact CG-CE1 4.17Å; L147-Y318 HydrophobicContact CG-CE2 3.62Å; L147-Y318 HydrophobicContact CG-CG 4.42Å; Y309-Y318 HydrophobicContact CD1-CD2 4.13Å; Y309-Y318 HydrophobicContact CD1-CG 4.48Å; Y309-Y318 AromaticContact CG-CD2 3.88Å; Y309-Y318 HydrophobicContact CG-CD2 3.88Å; P315-Y318 WeakPolarHBondContact O-CA 3.12Å; P315-Y318 VanDerWaalsContact O-CB 3.27Å; P315-Y318 WeakPolarHBondContact O-CB 3.05Å; P315-Y318 PolarHBondContact O-N 3.15Å; Y318-C320 PolarHBondContact O-N 3.46Å; Y318-T321 PolarHBondContact O-N 2.8Å; Y318-T321 VanDerWaalsContact O-N 3.15Å; Y318-E322 WeakPolarHBondContact O-CB 3.28Å; Y318-E322 PolarHBondContact O-N 3.41Å
319D94.8Very high94.4Very high32 Ų3229 Ų2917%0.17115%0.15CC..Hα-helixtrans-60.6-42.6-178-57.7-24.9000112.2I6 R60 P315 I316 N323I6-D319 HydrophobicContact CG2-CB 3.92Å; R60-D319 IonicContact CZ-OD1 3.26Å; R60-D319 VanDerWaalsContact CZ-OD1 3.26Å; R60-D319 IonicContact NH1-OD1 2.92Å; R60-D319 PolarHBondContact NH1-OD1 3.27Å; R60-D319 IonicContact NH2-OD1 3.63Å; R60-D319 PolarHBondContact NH2-OD1 2.77Å; P315-D319 VanDerWaalsContact O-CG 3.32Å; P315-D319 PolarHBondContact O-N 3.17Å; I316-D319 PolarHBondContact O-N 3.5Å; D319-N323 VanDerWaalsContact O-CB 3.24Å; D319-N323 WeakPolarHBondContact O-CB 3.43Å; D319-N323 PolarHBondContact O-N 3.43Å
320C95.9Very high94.6Very high3 Ų329.1 Ų29.12%0.0215%0.15CC..Hα-helixtrans-65.3-39.3175.9-70.60000112.4I6 L295 I316 Y318 Y324I6-C320 HydrophobicContact CD1-CB 4.17Å; I6-C320 WeakPolarHBondContact CD1-SG 3.36Å; L295-C320 HydrophobicContact CD1-CB 3.72Å; L295-C320 HydrophobicContact CD2-CB 3.52Å; L295-C320 HydrophobicContact CG-CB 4.24Å; I316-C320 VanDerWaalsContact O-CB 3.29Å; I316-C320 WeakPolarHBondContact O-CB 3.36Å; I316-C320 PolarHBondContact O-N 3.26Å; I316-C320 PolarHBondContact O-SG 2.93Å; Y318-C320 PolarHBondContact O-N 3.46Å; C320-Y324 WeakPolarHBondContact O-CB 3.32Å; C320-Y324 PolarHBondContact O-N 3.41Å
321T95.7Very high94.8Very high1 Ų130.7 Ų30.71%0.00616%0.164CC..Hα-helixtrans-70.7-43.8179.8-55.20000110.9L147 L149 I298 Y309 A317 Y318 N323 Y324 I325L147-T321 HydrophobicContact CB-CG2 4.15Å; L147-T321 HydrophobicContact CD1-CG2 3.91Å; L149-T321 HydrophobicContact CD2-CG2 4.39Å; I298-T321 HydrophobicContact CD1-CG2 4.46Å; I298-T321 HydrophobicContact CG2-CG2 4.44Å; Y309-T321 WeakPolarHBondContact OH-CG2 3.47Å; Y309-T321 PolarHBondContact OH-OG1 3.11Å; A317-T321 WeakPolarHBondContact O-CB 3.29Å; A317-T321 PolarHBondContact O-N 3.01Å; A317-T321 VanDerWaalsContact O-N 3.15Å; A317-T321 PolarHBondContact O-OG1 2.65Å; Y318-T321 PolarHBondContact O-N 2.8Å; Y318-T321 VanDerWaalsContact O-N 3.15Å; T321-N323 VanDerWaalsContact C-N 3.35Å; T321-N323 PolarHBondContact O-N 3.32Å; T321-Y324 PolarHBondContact O-N 2.87Å; T321-I325 WeakPolarHBondContact O-CG1 3.27Å; T321-I325 PolarHBondContact O-N 2.93Å; T321-I325 VanDerWaalsContact O-N 3.1Å
322E96.2Very high95.4Very high10 Ų1028.2 Ų28.25%0.04715%0.153CC..Hα-helixtrans-55.4-51.4171.5175.2-178.8-112.100110.6R60 R63 L64 Y318 Y324 I325 M326R60-E322 WeakPolarHBondContact CB-OE1 3.46Å; R60-E322 IonicContact CZ-OE1 3.57Å; R60-E322 IonicContact CZ-OE2 3.94Å; R60-E322 IonicContact NE-OE1 3.6Å; R60-E322 PolarHBondContact NE-OE1 2.95Å; R60-E322 IonicContact NE-OE2 3.77Å; R60-E322 PolarHBondContact NE-OE2 3.49Å; R60-E322 VanDerWaalsContact NH2-CD 3.3Å; R60-E322 IonicContact NH2-OE1 3.78Å; R60-E322 IonicContact NH2-OE2 4Å; R60-E322 PolarHBondContact NH2-OE2 3.36Å; R63-E322 IonicContact CZ-OE1 3.22Å; R63-E322 IonicContact NE-OE1 3.75Å; R63-E322 IonicContact NH2-OE1 3.63Å; R63-E322 PolarHBondContact NH2-OE1 3.35Å; R63-E322 IonicContact NH2-OE2 2.71Å; R63-E322 PolarHBondContact NH2-OE2 3.25Å; L64-E322 HydrophobicContact CD1-CB 4.16Å; L64-E322 HydrophobicContact CD1-CG 3.98Å; L64-E322 HydrophobicContact CD2-CG 4Å; L64-E322 HydrophobicContact CG-CG 4.27Å; Y318-E322 WeakPolarHBondContact O-CB 3.28Å; Y318-E322 PolarHBondContact O-N 3.41Å; E322-Y324 VanDerWaalsContact C-N 3.3Å; E322-Y324 PolarHBondContact O-N 3.16Å; E322-I325 PolarHBondContact O-N 3.33Å; E322-M326 HydrophobicContact CG-CE 4.05Å; E322-M326 HydrophobicContact CG-CG 4.48Å; E322-M326 HydrophobicContact CG-SD 4.17Å; E322-M326 WeakPolarHBondContact O-CG 3.48Å; E322-M326 PolarHBondContact O-N 2.95Å
323N96.2Very high95.7Very high27 Ų2724.6 Ų24.614%0.14413%0.132CC..Hα-helixtrans-61.5-39.7-179.1-172.177.6000112.3I6 R30 D319 T321 M326 E327I6-N323 HydrophobicContact CD1-CB 4.43Å; R30-N323 VanDerWaalsContact CZ-OD1 3.29Å; R30-N323 PolarHBondContact NE-OD1 3.13Å; R30-N323 PolarHBondContact NH2-OD1 3.4Å; D319-N323 VanDerWaalsContact O-CB 3.24Å; D319-N323 WeakPolarHBondContact O-CB 3.43Å; D319-N323 PolarHBondContact O-N 3.43Å; T321-N323 VanDerWaalsContact C-N 3.35Å; T321-N323 PolarHBondContact O-N 3.32Å; N323-M326 PolarHBondContact O-N 2.93Å; N323-E327 WeakPolarHBondContact O-CB 3.46Å; N323-E327 WeakPolarHBondContact O-CG 3.18Å; N323-E327 PolarHBondContact O-N 3.11Å
324Y96.4Very high96Very high35 Ų3531.7 Ų31.714%0.13716%0.158CC..Hα-helixtrans-59.3-46.2176171.4-104.1000111.8I298 P299 C320 T321 E322 K328I298-Y324 HydrophobicContact CG2-CD1 3.7Å; I298-Y324 HydrophobicContact CG2-CE1 3.96Å; I298-Y324 HydrophobicContact CG2-CG 4.34Å; P299-Y324 WeakPolarHBondContact CA-OH 3.35Å; P299-Y324 HydrophobicContact CB-CE2 4.02Å; P299-Y324 HydrophobicContact CG-CD2 4.39Å; P299-Y324 HydrophobicContact CG-CE2 3.83Å; C320-Y324 WeakPolarHBondContact O-CB 3.32Å; C320-Y324 PolarHBondContact O-N 3.41Å; T321-Y324 PolarHBondContact O-N 2.87Å; E322-Y324 VanDerWaalsContact C-N 3.3Å; E322-Y324 PolarHBondContact O-N 3.16Å; Y324-K328 HydrophobicContact CE1-CD 4.3Å; Y324-K328 WeakPolarHBondContact O-CB 3.42Å; Y324-K328 PolarHBondContact O-N 2.03Å; Y324-K328 VanDerWaalsContact O-N 3.08Å
325I97.6Very high96.2Very high1 Ų134.1 Ų34.11%0.00518%0.175CC..Hα-helixtrans-66.6-41.2178.2-64.2-62.1000111.5L64 P148 T321 E322 K328 V329L64-I325 HydrophobicContact CD2-CB 4.33Å; L64-I325 HydrophobicContact CD2-CG2 4.08Å; P148-I325 HydrophobicContact CG-CG1 4.43Å; P148-I325 HydrophobicContact CG-CG2 4.33Å; P148-I325 WeakPolarHBondContact O-CG1 3.47Å; T321-I325 WeakPolarHBondContact O-CG1 3.27Å; T321-I325 PolarHBondContact O-N 2.93Å; T321-I325 VanDerWaalsContact O-N 3.1Å; E322-I325 PolarHBondContact O-N 3.33Å; I325-K328 PolarHBondContact O-N 3.21Å; I325-V329 WeakPolarHBondContact O-CG2 3.24Å; I325-V329 PolarHBondContact O-N 3Å
326M97.6Very high96.4Very high10 Ų1036.6 Ų36.65%0.04919%0.185CC..Hα-helixtrans-60.6-50.8177.3-72-174.5162.400112.2F29 R63 L64 E322 N323 K328 V329 L330F29-M326 HydrophobicContact CD1-CE 4.01Å; F29-M326 HydrophobicContact CD2-CB 3.93Å; F29-M326 HydrophobicContact CD2-CG 3.75Å; F29-M326 HydrophobicContact CE1-CE 4.13Å; F29-M326 HydrophobicContact CE2-CB 4.43Å; F29-M326 HydrophobicContact CE2-CG 3.96Å; F29-M326 HydrophobicContact CG-CB 4.42Å; F29-M326 HydrophobicContact CG-CE 4.37Å; F29-M326 HydrophobicContact CG-CG 4.05Å; F29-M326 HydrophobicContact CZ-CG 4.47Å; R63-M326 HydrophobicContact CG-CE 4.48Å; R63-M326 VanDerWaalsContact NE-CE 3.33Å; R63-M326 VanDerWaalsContact NH2-CE 3.3Å; L64-M326 HydrophobicContact CD2-CE 3.99Å; L64-M326 HydrophobicContact CD2-CG 3.73Å; E322-M326 HydrophobicContact CG-CE 4.05Å; E322-M326 HydrophobicContact CG-CG 4.48Å; E322-M326 HydrophobicContact CG-SD 4.17Å; E322-M326 WeakPolarHBondContact O-CG 3.48Å; E322-M326 PolarHBondContact O-N 2.95Å; N323-M326 PolarHBondContact O-N 2.93Å; M326-K328 PolarHBondContact O-N 2.96Å; M326-V329 PolarHBondContact O-N 3.48Å; M326-L330 WeakPolarHBondContact O-CG 3.43Å; M326-L330 PolarHBondContact O-N 3.39Å
327E96.8Very high96.6Very high73 Ų7339.5 Ų39.534%0.34120%0.197SC..Hα-helixtrans-58.4-38.3177.5-75.2-68.115300111.8R30 N323 L330 A331R30-E327 WeakPolarHBondContact CD-OE1 3.35Å; R30-E327 IonicContact CZ-OE1 2.76Å; R30-E327 IonicContact NE-OE1 2.97Å; R30-E327 PolarHBondContact NE-OE1 2.89Å; R30-E327 IonicContact NH1-OE1 3.38Å; R30-E327 PolarHBondContact NH1-OE1 3.25Å; R30-E327 IonicContact NH2-OE1 3.29Å; N323-E327 WeakPolarHBondContact O-CB 3.46Å; N323-E327 WeakPolarHBondContact O-CG 3.18Å; N323-E327 PolarHBondContact O-N 3.11Å; E327-L330 PolarHBondContact O-N 2.9Å; E327-A331 WeakPolarHBondContact O-CB 2.87Å; E327-A331 PolarHBondContact O-N 2.98Å
328K97Very high96.8Very high13 Ų1341.9 Ų41.96%0.05721%0.209CC..Hα-helixtrans-65-44.9177.9-163.7175.7-175.4-172.20112.2T151 E154 Y324 I325 M326 L330 A331 E332T151-K328 HydrophobicContact CG2-CB 4.01Å; T151-K328 HydrophobicContact CG2-CD 3.87Å; T151-K328 HydrophobicContact CG2-CG 3.82Å; E154-K328 WeakPolarHBondContact OE1-CE 3.47Å; E154-K328 IonicContact OE1-NZ 3.36Å; E154-K328 PolarHBondContact OE1-NZ 3.49Å; E154-K328 VanDerWaalsContact OE2-CE 3.31Å; E154-K328 WeakPolarHBondContact OE2-CE 3.47Å; E154-K328 IonicContact OE2-NZ 3.46Å; E154-K328 PolarHBondContact OE2-NZ 3.34Å; Y324-K328 HydrophobicContact CE1-CD 4.3Å; Y324-K328 WeakPolarHBondContact O-CB 3.42Å; Y324-K328 PolarHBondContact O-N 2.03Å; Y324-K328 VanDerWaalsContact O-N 3.08Å; I325-K328 PolarHBondContact O-N 3.21Å; M326-K328 PolarHBondContact O-N 2.96Å; K328-L330 PolarHBondContact O-N 3.38Å; K328-A331 PolarHBondContact O-N 2.95Å; K328-E332 WeakPolarHBondContact O-CB 3.45Å; K328-E332 VanDerWaalsContact O-CG 3.31Å; K328-E332 WeakPolarHBondContact O-CG 3.23Å; K328-E332 PolarHBondContact O-N 3.41Å
329V98.2Very high96.8Very high3 Ų342.7 Ų42.72%0.01822%0.216CC..Hα-helixtrans-60.9-44.2174.7169.80000111.3F29 V34 T151 I325 M326 E332 M333F29-V329 HydrophobicContact CD2-CB 4.06Å; F29-V329 HydrophobicContact CD2-CG1 4.01Å; F29-V329 HydrophobicContact CE2-CB 4.02Å; F29-V329 HydrophobicContact CE2-CG1 4.04Å; F29-V329 HydrophobicContact CE2-CG2 4.04Å; V34-V329 HydrophobicContact CG1-CG1 3.84Å; V34-V329 HydrophobicContact CG2-CG1 4.42Å; T151-V329 HydrophobicContact CG2-CG2 3.57Å; I325-V329 WeakPolarHBondContact O-CG2 3.24Å; I325-V329 PolarHBondContact O-N 3Å; M326-V329 PolarHBondContact O-N 3.48Å; V329-E332 WeakPolarHBondContact O-CB 3.43Å; V329-E332 PolarHBondContact O-N 2.8Å; V329-M333 HydrophobicContact CG1-SD 3.98Å; V329-M333 WeakPolarHBondContact O-CG 3.45Å; V329-M333 PolarHBondContact O-N 3.27Å
330L98Very high96.6Very high3 Ų347.4 Ų47.42%0.01625%0.249CC..Hα-helixtrans-65.5-40.1178.7-65.2176.2000111.8F29 R30 E32 M326 E327 K328 M333 R334F29-L330 HydrophobicContact CB-CD1 4.36Å; F29-L330 HydrophobicContact CB-CD2 3.93Å; F29-L330 HydrophobicContact CB-CG 4.22Å; R30-L330 HydrophobicContact CB-CD1 4.05Å; R30-L330 HydrophobicContact CG-CD1 4.37Å; E32-L330 HydrophobicContact CB-CD2 3.8Å; E32-L330 HydrophobicContact CG-CD2 4.37Å; M326-L330 WeakPolarHBondContact O-CG 3.43Å; M326-L330 PolarHBondContact O-N 3.39Å; E327-L330 PolarHBondContact O-N 2.9Å; K328-L330 PolarHBondContact O-N 3.38Å; L330-M333 HydrophobicContact CD2-SD 4.29Å; L330-M333 PolarHBondContact O-N 2.94Å; L330-R334 VanDerWaalsContact O-CG 3.26Å; L330-R334 WeakPolarHBondContact O-CG 3.29Å; L330-R334 PolarHBondContact O-N 3.37Å
331A97.6Very high96.4Very high51 Ų5152.8 Ų52.842%0.42128%0.277SS..Hα-helixtrans-62.5-43.4174.600000111.7E327 K328 M333 R334 T335E327-A331 WeakPolarHBondContact O-CB 2.87Å; E327-A331 PolarHBondContact O-N 2.98Å; K328-A331 PolarHBondContact O-N 2.95Å; A331-M333 PolarHBondContact O-N 3.16Å; A331-R334 PolarHBondContact O-N 3.22Å; A331-T335 WeakPolarHBondContact O-CB 3.34Å; A331-T335 WeakPolarHBondContact O-CG2 3.13Å; A331-T335 PolarHBondContact O-N 2.83Å; A331-T335 PolarHBondContact O-OG1 2.98Å
332E97.9Very high96.4Very high9 Ų953.5 Ų53.54%0.04228%0.28CS..Hα-helixtrans-59.3-44.8174.9-76168.5-17600111.7T151 W153 K328 V329 N336 Q337T151-E332 VanDerWaalsContact CB-OE2 3.27Å; T151-E332 WeakPolarHBondContact CB-OE2 3.41Å; T151-E332 WeakPolarHBondContact CG2-OE1 3.3Å; T151-E332 WeakPolarHBondContact CG2-OE2 3.28Å; T151-E332 PolarHBondContact OG1-OE1 3.14Å; T151-E332 PolarHBondContact OG1-OE2 3.2Å; W153-E332 HydrophobicContact CE3-CB 3.95Å; W153-E332 HydrophobicContact CE3-CG 4.22Å; W153-E332 HydrophobicContact CZ3-CB 4.16Å; K328-E332 WeakPolarHBondContact O-CB 3.45Å; K328-E332 VanDerWaalsContact O-CG 3.31Å; K328-E332 WeakPolarHBondContact O-CG 3.23Å; K328-E332 PolarHBondContact O-N 3.41Å; V329-E332 WeakPolarHBondContact O-CB 3.43Å; V329-E332 PolarHBondContact O-N 2.8Å; E332-N336 WeakPolarHBondContact O-CA 3.41Å; E332-N336 PolarHBondContact O-N 3.45Å; E332-Q337 WeakPolarHBondContact CA-O 3.11Å; E332-Q337 WeakPolarHBondContact CG-O 3.26Å
333M97Very high96.3Very high53 Ų5357.1 Ų57.126%0.26130%0.3SS..Hα-helixtrans-62.8-43.6176.8-73167.65100112.7V33 V34 Q35 V329 L330 A331V33-M333 VanDerWaalsContact O-CE 3.26Å; V33-M333 WeakPolarHBondContact O-CE 3.46Å; V34-M333 HydrophobicContact CG1-SD 4.27Å; Q35-M333 HydrophobicContact CB-CE 4.21Å; Q35-M333 HydrophobicContact CG-CE 4.33Å; V329-M333 HydrophobicContact CG1-SD 3.98Å; V329-M333 WeakPolarHBondContact O-CG 3.45Å; V329-M333 PolarHBondContact O-N 3.27Å; L330-M333 HydrophobicContact CD2-SD 4.29Å; L330-M333 PolarHBondContact O-N 2.94Å; A331-M333 PolarHBondContact O-N 3.16Å
334R97Very high96.3Very high171 Ų17158.3 Ų58.365%0.64531%0.308SS*.Hα-helixtrans-71.4-35.8-177.4-70173.9-169.5-173.76.7112.9E32 L330 A331E32-R334 IonicContact OE1-CZ 3.55Å; E32-R334 IonicContact OE1-NE 3.75Å; E32-R334 IonicContact OE1-NH2 2.81Å; E32-R334 PolarHBondContact OE1-NH2 2.65Å; E32-R334 IonicContact OE2-NE 2.85Å; L330-R334 VanDerWaalsContact O-CG 3.26Å; L330-R334 WeakPolarHBondContact O-CG 3.29Å; L330-R334 PolarHBondContact O-N 3.37Å; A331-R334 PolarHBondContact O-N 3.22Å
335T96.9Very high96.3Very high82 Ų8259.6 Ų59.650%0.50332%0.322SS..Hα-helixtrans-94.5-17-176.860.10000113A331 Q337A331-T335 WeakPolarHBondContact O-CB 3.34Å; A331-T335 WeakPolarHBondContact O-CG2 3.13Å; A331-T335 PolarHBondContact O-N 2.83Å; A331-T335 PolarHBondContact O-OG1 2.98Å; T335-Q337 PolarHBondContact O-N 2.99Å; T335-Q337 PolarHBondContact OG1-N 3.33Å; T335-Q337 PolarHBondContact OG1-O 3.11Å
336N96.6Very high96.3Very high116 Ų11660.8 Ų60.862%0.6233%0.327SS*.THydrogen-bonded Turntrans51.139.1-168.8-16647.1000112.1E332E332-N336 WeakPolarHBondContact O-CA 3.41Å; E332-N336 PolarHBondContact O-N 3.45Å
337Q97.2Very high96.3Very high132 Ų13260.3 Ų60.362%0.61733%0.325SS*.SBendtrans-139.8144.2178.9-68.6179.9-800109.8E332 T335E332-Q337 WeakPolarHBondContact CA-O 3.11Å; E332-Q337 WeakPolarHBondContact CG-O 3.26Å; T335-Q337 PolarHBondContact O-N 2.99Å; T335-Q337 PolarHBondContact OG1-N 3.33Å; T335-Q337 PolarHBondContact OG1-O 3.11Å
338L97.4Very high96.3Very high49 Ų4958.7 Ų58.726%0.25732%0.321SS..  trans-60.8152.1169.2-71.7167.9000110.5W153 E154 A157 F342W153-L338 HydrophobicContact CB-CD2 4.01Å; W153-L338 HydrophobicContact CD2-CD2 3.55Å; W153-L338 HydrophobicContact CD2-CG 4.06Å; W153-L338 HydrophobicContact CE3-CD2 3.95Å; W153-L338 HydrophobicContact CE3-CG 4.37Å; W153-L338 HydrophobicContact CG-CD2 3.58Å; W153-L338 HydrophobicContact CG-CG 4.48Å; W153-L338 HydrophobicContact CZ2-CG 4.31Å; E154-L338 HydrophobicContact CG-CD2 3.9Å; A157-L338 HydrophobicContact CB-CD1 3.71Å; L338-F342 HydrophobicContact CB-CD1 4.37Å; L338-F342 HydrophobicContact CD1-CD1 4.01Å; L338-F342 HydrophobicContact CD1-CE1 4.09Å; L338-F342 HydrophobicContact CD2-CD1 4.48Å
339S94.3Very high96.2Very high23 Ų2363.2 Ų63.216%0.16134%0.343CS..  trans-53.6134.3177.7-175.20000111.8N341 F342S339-N341 PolarHBondContact O-N 2.97Å; S339-F342 WeakPolarHBondContact O-CB 3.1Å; S339-F342 PolarHBondContact O-N 2.92Å
340P92.1Very high96.2Very high131 Ų13163.6 Ų63.685%0.85135%0.345SS*.THydrogen-bonded Turntrans-59.5-21.2176.9-2634.2000114.3F342P340-F342 VanDerWaalsContact C-N 3.25Å; P340-F342 PolarHBondContact O-N 3.04Å
341N89.9Confident96.1Very high115 Ų11565.8 Ų65.862%0.61535%0.353SS*.THydrogen-bonded Turntrans-82.5-1.9176.4-65.1-37.8000113S339S339-N341 PolarHBondContact O-N 2.97Å
342F96Very high95.9Very high17 Ų1764.2 Ų64.28%0.07534%0.339CS..  trans-93.3101.3179.3-175.1-115.3000111.1E154 A157 L158 L338 S339 P340 V344 Y347E154-F342 HydrophobicContact CB-CD2 4.11Å; E154-F342 HydrophobicContact CB-CE1 4.22Å; E154-F342 HydrophobicContact CB-CE2 3.74Å; E154-F342 HydrophobicContact CB-CG 4.49Å; E154-F342 HydrophobicContact CB-CZ 3.79Å; E154-F342 HydrophobicContact CG-CB 4.47Å; E154-F342 HydrophobicContact CG-CD1 4.03Å; E154-F342 HydrophobicContact CG-CD2 3.82Å; E154-F342 HydrophobicContact CG-CE1 4.17Å; E154-F342 HydrophobicContact CG-CE2 3.98Å; E154-F342 HydrophobicContact CG-CG 3.84Å; E154-F342 HydrophobicContact CG-CZ 4.13Å; E154-F342 WeakPolarHBondContact O-CZ 3.03Å; E154-F342 WeakPolarHBondContact OE1-CB 3.05Å; E154-F342 WeakPolarHBondContact OE1-CD2 3.13Å; E154-F342 WeakPolarHBondContact OE1-CG 3.33Å; A157-F342 HydrophobicContact CB-CE1 3.93Å; A157-F342 HydrophobicContact CB-CZ 4.46Å; L158-F342 HydrophobicContact CB-CZ 4Å; L158-F342 HydrophobicContact CD2-CE2 4.24Å; L158-F342 HydrophobicContact CD2-CZ 4.24Å; L338-F342 HydrophobicContact CB-CD1 4.37Å; L338-F342 HydrophobicContact CD1-CD1 4.01Å; L338-F342 HydrophobicContact CD1-CE1 4.09Å; L338-F342 HydrophobicContact CD2-CD1 4.48Å; S339-F342 WeakPolarHBondContact O-CB 3.1Å; S339-F342 PolarHBondContact O-N 2.92Å; P340-F342 VanDerWaalsContact C-N 3.25Å; P340-F342 PolarHBondContact O-N 3.04Å; F342-V344 HydrophobicContact CD1-CB 4.26Å; F342-V344 HydrophobicContact CE1-CB 3.84Å; F342-V344 HydrophobicContact CE1-CG2 4.08Å; F342-V344 PolarHBondContact O-N 3.18Å; F342-Y347 HydrophobicContact CD2-CE2 4.34Å; F342-Y347 HydrophobicContact CE2-CD2 4.43Å; F342-Y347 AromaticContact CE2-CE2 3.52Å; F342-Y347 HydrophobicContact CE2-CE2 3.52Å; F342-Y347 HydrophobicContact CZ-CD2 4.34Å; F342-Y347 AromaticContact CZ-CE2 3.86Å; F342-Y347 HydrophobicContact CZ-CE2 3.86Å
343N95.3Very high95.9Very high86 Ų8664 Ų6446%0.4634%0.338SS..  trans-8492.6174.2-177.50.4000110.4M302 S345 F346 Y347M302-N343 HydrophobicContact CE-CB 4.38Å; N343-S345 VanDerWaalsContact C-N 3.3Å; N343-S345 PolarHBondContact O-N 3.44Å; N343-S345 WeakPolarHBondContact OD1-CB 3.35Å; N343-S345 PolarHBondContact OD1-N 2.73Å; N343-S345 VanDerWaalsContact OD1-N 3.15Å; N343-F346 HydrophobicContact CB-CB 4.46Å; N343-F346 WeakPolarHBondContact O-CB 3.33Å; N343-F346 PolarHBondContact OD1-N 3.28Å; N343-Y347 WeakPolarHBondContact O-CD2 3.35Å; N343-Y347 WeakPolarHBondContact O-CE2 3.05Å
344V96.3Very high95.8Very high52 Ų5268 Ų6832%0.31536%0.356SS..Hα-helixtrans-64.1-34.9177.370.70000112.5A157 A161 F342 F346 Y347A157-V344 HydrophobicContact CB-CG2 4.38Å; A161-V344 HydrophobicContact CB-CG2 3.73Å; F342-V344 HydrophobicContact CD1-CB 4.26Å; F342-V344 HydrophobicContact CE1-CB 3.84Å; F342-V344 HydrophobicContact CE1-CG2 4.08Å; F342-V344 PolarHBondContact O-N 3.18Å; V344-F346 PolarHBondContact O-N 3.27Å; V344-Y347 PolarHBondContact O-N 3.38Å; V344-Y347 VanDerWaalsContact O-N 3.1Å
345S96.2Very high95.8Very high62 Ų6262.2 Ų62.243%0.43434%0.338SS..Hα-helixtrans-63.6-30.3-176.7-56.90000112.8N343 Y347 S348 Q349N343-S345 VanDerWaalsContact C-N 3.3Å; N343-S345 PolarHBondContact O-N 3.44Å; N343-S345 WeakPolarHBondContact OD1-CB 3.35Å; N343-S345 PolarHBondContact OD1-N 2.73Å; N343-S345 VanDerWaalsContact OD1-N 3.15Å; S345-Y347 PolarHBondContact O-N 3.22Å; S345-S348 PolarHBondContact O-N 2.92Å; S345-S348 VanDerWaalsContact O-N 3.16Å; S345-S348 PolarHBondContact O-OG 3.47Å; S345-Q349 WeakPolarHBondContact O-CG 3.41Å; S345-Q349 PolarHBondContact O-N 3.06Å
346F96.4Very high95.8Very high25 Ų2558.6 Ų58.611%0.1132%0.316CS..Hα-helixtrans-51.7-43.9173.2168.9-100.4000112.1M262 I267 M302 N343 V344 S348 Q349 L350M262-F346 HydrophobicContact CB-CE2 4.03Å; I267-F346 HydrophobicContact CG2-CE1 3.82Å; I267-F346 HydrophobicContact CG2-CZ 4.25Å; M302-F346 HydrophobicContact CB-CD1 4.38Å; M302-F346 HydrophobicContact CB-CE1 3.84Å; M302-F346 HydrophobicContact CB-CZ 4.34Å; M302-F346 HydrophobicContact CE-CB 3.63Å; M302-F346 HydrophobicContact CE-CD1 3.19Å; M302-F346 HydrophobicContact CE-CD2 4.31Å; M302-F346 HydrophobicContact CE-CE1 3.87Å; M302-F346 HydrophobicContact CE-CG 3.44Å; M302-F346 VanDerWaalsContact CE-CG 3.44Å; M302-F346 HydrophobicContact CG-CD1 4.4Å; M302-F346 HydrophobicContact CG-CE1 4.15Å; M302-F346 HydrophobicContact CG-CZ 4.43Å; N343-F346 HydrophobicContact CB-CB 4.46Å; N343-F346 WeakPolarHBondContact O-CB 3.33Å; N343-F346 PolarHBondContact OD1-N 3.28Å; V344-F346 PolarHBondContact O-N 3.27Å; F346-S348 PolarHBondContact O-N 2.88Å; F346-Q349 PolarHBondContact O-N 3.31Å; F346-L350 HydrophobicContact CE1-CD2 4.21Å; F346-L350 HydrophobicContact CE2-CD2 4.37Å; F346-L350 HydrophobicContact CZ-CD2 3.94Å
347Y97.4Very high95.8Very high0 Ų054.7 Ų54.70%030%0.295CS..Hα-helixtrans-69.6-33.8-177-58.6-79.4000112.3R150 L158 I267 M302 F342 N343 V344 S345 Q349 S353R150-Y347 PolarHBondContact NE-OH 3.26Å; R150-Y347 PolarHBondContact NH2-OH 2.69Å; L158-Y347 HydrophobicContact CB-CD1 3.93Å; L158-Y347 HydrophobicContact CB-CD2 3.57Å; L158-Y347 HydrophobicContact CB-CE1 4.26Å; L158-Y347 HydrophobicContact CB-CE2 3.93Å; L158-Y347 HydrophobicContact CB-CG 3.57Å; L158-Y347 HydrophobicContact CD1-CD1 4.43Å; L158-Y347 HydrophobicContact CD2-CE1 4.1Å; L158-Y347 HydrophobicContact CD2-CE2 4.31Å; I267-Y347 HydrophobicContact CD1-CD1 3.59Å; I267-Y347 HydrophobicContact CD1-CE1 3.82Å; M302-Y347 HydrophobicContact CE-CE2 4.04Å; M302-Y347 WeakPolarHBondContact O-CE1 3.42Å; M302-Y347 PolarHBondContact O-OH 3.35Å; F342-Y347 HydrophobicContact CD2-CE2 4.34Å; F342-Y347 HydrophobicContact CE2-CD2 4.43Å; F342-Y347 AromaticContact CE2-CE2 3.52Å; F342-Y347 HydrophobicContact CE2-CE2 3.52Å; F342-Y347 HydrophobicContact CZ-CD2 4.34Å; F342-Y347 AromaticContact CZ-CE2 3.86Å; F342-Y347 HydrophobicContact CZ-CE2 3.86Å; N343-Y347 WeakPolarHBondContact O-CD2 3.35Å; N343-Y347 WeakPolarHBondContact O-CE2 3.05Å; V344-Y347 PolarHBondContact O-N 3.38Å; V344-Y347 VanDerWaalsContact O-N 3.1Å; S345-Y347 PolarHBondContact O-N 3.22Å; Y347-Q349 PolarHBondContact O-N 2.91Å; Y347-S353 WeakPolarHBondContact O-CB 3.4Å; Y347-S353 PolarHBondContact O-OG 3.18Å; Y347-S353 VanDerWaalsContact O-OG 3.13Å
348S96.8Very high95.6Very high39 Ų3955.9 Ų55.927%0.27330%0.3SS..Hα-helixtrans-70.8-15.2174.7680000114.3A161 S345 F346 Q354A161-S348 VanDerWaalsContact O-CA 3.29Å; A161-S348 WeakPolarHBondContact O-CA 3.34Å; A161-S348 VanDerWaalsContact O-CB 3.31Å; A161-S348 WeakPolarHBondContact O-CB 3.37Å; S345-S348 PolarHBondContact O-N 2.92Å; S345-S348 VanDerWaalsContact O-N 3.16Å; S345-S348 PolarHBondContact O-OG 3.47Å; F346-S348 PolarHBondContact O-N 2.88Å; S348-Q354 PolarHBondContact O-NE2 3.14Å
349Q96.5Very high95.5Very high108 Ų10856.2 Ų56.251%0.50530%0.302SS..THydrogen-bonded Turntrans-99.4-3.2-176.2-70.1174.5-4.900113.4R263 S345 F346 Y347R263-Q349 WeakPolarHBondContact CD-O 3.44Å; R263-Q349 WeakPolarHBondContact CG-O 3.39Å; S345-Q349 WeakPolarHBondContact O-CG 3.41Å; S345-Q349 PolarHBondContact O-N 3.06Å; F346-Q349 PolarHBondContact O-N 3.31Å; Y347-Q349 PolarHBondContact O-N 2.91Å
350L96.3Very high95.5Very high12 Ų1257.9 Ų57.96%0.06331%0.309CS..SBendtrans-62.4142.3171.8-59.1177.4000109.2M262 R263 I267 F346 C352 S353 Q354M262-L350 WeakPolarHBondContact O-CD2 3.35Å; R263-L350 WeakPolarHBondContact O-CA 3.48Å; I267-L350 HydrophobicContact CD1-CD1 3.79Å; I267-L350 HydrophobicContact CG1-CD1 4.36Å; I267-L350 HydrophobicContact CG2-CD1 4.21Å; F346-L350 HydrophobicContact CE1-CD2 4.21Å; F346-L350 HydrophobicContact CE2-CD2 4.37Å; F346-L350 HydrophobicContact CZ-CD2 3.94Å; L350-C352 VanDerWaalsContact C-N 3.35Å; L350-C352 PolarHBondContact O-N 3.34Å; L350-S353 WeakPolarHBondContact O-CA 3.39Å; L350-S353 WeakPolarHBondContact O-CB 3.13Å; L350-S353 PolarHBondContact O-N 3.5Å; L350-Q354 PolarHBondContact O-N 3.11Å; L350-Q354 VanDerWaalsContact O-N 3.13Å
351Y95.9Very high95.7Very high48 Ų4853.9 Ų53.919%0.18828%0.279CS..Hα-helixtrans-59.9-46.3-174.6-69.8-59.2000112Y255 D261 R263 V264 S353 Q354 D355Y255-Y351 AromaticContact CD1-CD2 3.52Å; Y255-Y351 HydrophobicContact CD1-CD2 3.52Å; Y255-Y351 AromaticContact CD1-CE2 4Å; Y255-Y351 HydrophobicContact CD1-CE2 4Å; Y255-Y351 AromaticContact CD1-CG 3.96Å; Y255-Y351 HydrophobicContact CD1-CG 3.96Å; Y255-Y351 HydrophobicContact CD2-CD2 4.43Å; Y255-Y351 HydrophobicContact CD2-CG 4.39Å; Y255-Y351 HydrophobicContact CE1-CD1 4.17Å; Y255-Y351 AromaticContact CE1-CD2 3.72Å; Y255-Y351 HydrophobicContact CE1-CD2 3.72Å; Y255-Y351 HydrophobicContact CE1-CE2 4.17Å; Y255-Y351 AromaticContact CE1-CG 3.73Å; Y255-Y351 HydrophobicContact CE1-CG 3.73Å; Y255-Y351 VanDerWaalsContact CE2-CB 3.45Å; Y255-Y351 HydrophobicContact CE2-CG 4.19Å; Y255-Y351 AromaticContact CG-CD2 3.9Å; Y255-Y351 HydrophobicContact CG-CD2 3.9Å; Y255-Y351 HydrophobicContact CG-CG 4.28Å; Y255-Y351 AromaticContact CZ-CG 3.85Å; D261-Y351 VanDerWaalsContact OD2-CE2 3.22Å; D261-Y351 WeakPolarHBondContact OD2-CE2 3.46Å; D261-Y351 PolarHBondContact OD2-OH 3.4Å; R263-Y351 HydrophobicContact CB-CD1 4.33Å; R263-Y351 HydrophobicContact CB-CD2 3.73Å; R263-Y351 HydrophobicContact CB-CE1 4.31Å; R263-Y351 HydrophobicContact CB-CE2 3.7Å; R263-Y351 HydrophobicContact CB-CG 4.05Å; R263-Y351 PolarHBondContact NE-OH 3.3Å; R263-Y351 PolarHBondContact NH2-OH 3.11Å; R263-Y351 PolarHBondContact O-N 3.08Å; V264-Y351 HydrophobicContact CG1-CD2 3.33Å; V264-Y351 HydrophobicContact CG1-CE2 3.51Å; Y351-S353 PolarHBondContact O-N 2.92Å; Y351-Q354 PolarHBondContact O-N 3.4Å; Y351-D355 PolarHBondContact O-N 3.04Å
352C95.3Very high96.1Very high18 Ų1850.3 Ų50.312%0.12226%0.259CS..Hα-helixtrans-65.7-21.1177.5-60.20000112.8S165 C251 L350 H356S165-C352 WeakPolarHBondContact CB-O 3.48Å; C251-C352 HydrophobicContact CB-CB 3.89Å; C251-C352 WeakPolarHBondContact CB-SG 3.4Å; C251-C352 WeakPolarHBondContact SG-CA 3.43Å; C251-C352 WeakPolarHBondContact SG-CB 3.13Å; C251-C352 CovalentContact SG-SG 2.05Å; C251-C352 PolarHBondContact SG-SG 3.47Å; L350-C352 VanDerWaalsContact C-N 3.35Å; L350-C352 PolarHBondContact O-N 3.34Å; C352-H356 VanDerWaalsContact O-CB 3.29Å; C352-H356 WeakPolarHBondContact O-CB 3.46Å; C352-H356 PolarHBondContact O-ND1 3.08Å
353S96.2Very high96.1Very high4 Ų452.4 Ų52.43%0.02827%0.271CS..Hα-helixtrans-75.9-26.9172.2-59.40000113.3M162 S165 Y347 L350 Y351 H356M162-S353 WeakPolarHBondContact CG-OG 3.31Å; S165-S353 VanDerWaalsContact OG-CA 3.31Å; S165-S353 WeakPolarHBondContact OG-CA 3.46Å; S165-S353 PolarHBondContact OG-OG 3.29Å; S165-S353 VanDerWaalsContact OG-OG 3.07Å; Y347-S353 WeakPolarHBondContact O-CB 3.4Å; Y347-S353 PolarHBondContact O-OG 3.18Å; Y347-S353 VanDerWaalsContact O-OG 3.13Å; L350-S353 WeakPolarHBondContact O-CA 3.39Å; L350-S353 WeakPolarHBondContact O-CB 3.13Å; L350-S353 PolarHBondContact O-N 3.5Å; Y351-S353 PolarHBondContact O-N 2.92Å; S353-H356 PolarHBondContact O-CE1 3.01Å; S353-H356 PolarHBondContact O-ND1 3.16Å
354Q96Very high96.1Very high138 Ų13850.1 Ų50.165%0.64526%0.258SS*.Hα-helixtrans-87.2-32.8176.4-61.9-100.7-45.100112.1S348 L350 Y351S348-Q354 PolarHBondContact O-NE2 3.14Å; L350-Q354 PolarHBondContact O-N 3.11Å; L350-Q354 VanDerWaalsContact O-N 3.13Å; Y351-Q354 PolarHBondContact O-N 3.4Å
355D95.8Very high96.1Very high49 Ų4950 Ų5026%0.26225%0.254SS..SBendtrans-137.893.4-169.5-176.830.7000111.7N252 Y351N252-D355 VanDerWaalsContact CB-OD1 3.29Å; N252-D355 WeakPolarHBondContact CB-OD1 3.43Å; N252-D355 PolarHBondContact N-O 3.3Å; N252-D355 PolarHBondContact ND2-OD1 3.38Å; Y351-D355 PolarHBondContact O-N 3.04Å
356H97.1Very high96.1Very high6 Ų649.1 Ų49.13%0.02824%0.24CC..BIsolated β-bridgetrans-148.9169.1-179.859.6-82.6000111.6N163 G164 S165 A250 N252 C352 S353 H358N163-H356 PolarHBondContact O-CE1 2.53Å; N163-H356 VanDerWaalsContact O-CE1 3.24Å; N163-H356 PolarHBondContact O-NE2 3.4Å; G164-H356 VanDerWaalsContact C-NE2 3.34Å; S165-H356 PolarHBondContact N-NE2 2.89Å; A250-H356 CarbonylContact O-C 3.56Å; A250-H356 WeakPolarHBondContact O-CA 3.42Å; A250-H356 WeakPolarHBondContact O-CB 3.39Å; N252-H356 PolarHBondContact ND2-N 2.73Å; N252-H356 PolarHBondContact ND2-O 3.18Å; C352-H356 VanDerWaalsContact O-CB 3.29Å; C352-H356 WeakPolarHBondContact O-CB 3.46Å; C352-H356 PolarHBondContact O-ND1 3.08Å; S353-H356 PolarHBondContact O-CE1 3.01Å; S353-H356 PolarHBondContact O-ND1 3.16Å; H356-H358 AromaticContact CE1-CE1 3.81Å; H356-H358 AromaticContact NE2-CE1 3.45Å; H356-H358 PolarHBondContact NE2-CE1 2.8Å; H356-H358 AromaticContact NE2-ND1 3.5Å; H356-H358 PolarHBondContact NE2-ND1 2.76Å
357I97.1Very high96.1Very high35 Ų3551.1 Ų51.118%0.17925%0.251CS..  trans-76.8123.3173.6-57.2-178.7000108.6P243 G249 A250 N252P243-I357 HydrophobicContact CB-CD1 4.14Å; P243-I357 VanDerWaalsContact O-CD1 3.26Å; P243-I357 WeakPolarHBondContact O-CD1 3.42Å; G249-I357 VanDerWaalsContact CA-O 3.25Å; G249-I357 WeakPolarHBondContact CA-O 3.38Å; G249-I357 PolarHBondContact N-O 2.86Å; A250-I357 HydrophobicContact CB-CD1 4.27Å; A250-I357 PolarHBondContact O-N 2.95Å; N252-I357 WeakPolarHBondContact OD1-CG1 3.48Å
358H92.3Very high95.9Very high156 Ų15655.7 Ų55.772%0.72227%0.274SS*.  trans-760-177.7-78.9-61.7000114.3R201 H356R201-H358 VanDerWaalsContact CZ-OXT 3.25Å; R201-H358 PolarHBondContact NH1-OXT 3.49Å; R201-H358 PolarHBondContact NH2-OXT 2.96Å; H356-H358 AromaticContact CE1-CE1 3.81Å; H356-H358 AromaticContact NE2-CE1 3.45Å; H356-H358 PolarHBondContact NE2-CE1 2.8Å; H356-H358 AromaticContact NE2-ND1 3.5Å; H356-H358 PolarHBondContact NE2-ND1 2.76Å

Retrieved 358 of 358 residues in 730.7 ms (Link to these results)

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