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Geranylgeranyl transferase type-2 subunit beta

Catalyzes the transfer of a geranylgeranyl moiety from geranylgeranyl diphosphate to both cysteines of proteins with the C-terminal sequence -XXCC, -XCXC and -CCXX.

AlphaFold DB , UniProt , Accession G4VI00, 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
1M46.4Very low81.7Confident232 Ų23295.4 Ų95.4100%1.14356%0.563SS**  0127.10-66.7175.8-15200106H3M1-H3 PolarHBondContact O-N 2.98Å
2A64.8Low82.2Confident101 Ų101102.8 Ų102.884%0.83558%0.583SS**PPolyproline II helixtrans-64.6127.2167.500000106.7
3H66.1Low82.8Confident147 Ų147106.6 Ų106.668%0.68160%0.601SS**PPolyproline II helixtrans-60.2138170.8-71.3-81.2000108M1 I5M1-H3 PolarHBondContact O-N 2.98Å; H3-I5 PolarHBondContact O-N 2.88Å
4P78.7Confident83.6Confident108 Ų108101.1 Ų101.170%0.70157%0.572SS**PPolyproline II helixtrans-60.7132178.225.3-32.3000109V6P4-V6 PolarHBondContact O-N 3.11Å
5I87.5Confident84.5Confident112 Ų11295.7 Ų95.757%0.57454%0.543SS*.PPolyproline II helixtrans-62.1122.9177.7-57.4176.8000108H3 D7 L222 P223H3-I5 PolarHBondContact O-N 2.88Å; I5-D7 HydrophobicContact CG2-CB 4.16Å; I5-D7 PolarHBondContact O-N 2.81Å; I5-L222 HydrophobicContact CG2-CD2 3.93Å; I5-P223 HydrophobicContact CD1-CG 4.47Å
6V94Very high85.2Confident42 Ų4296.9 Ų96.926%0.25554%0.54SS..  trans-78.1100.7174.3-177.70000108.4P4 L222 H234P4-V6 PolarHBondContact O-N 3.11Å; V6-L222 VanDerWaalsContact O-CD1 3.31Å; V6-L222 WeakPolarHBondContact O-CD1 3.19Å; V6-H234 HydrophobicContact CG1-CB 4.41Å; V6-H234 WeakPolarHBondContact CG1-CD2 3.44Å; V6-H234 VanDerWaalsContact CG1-NE2 3.3Å; V6-H234 WeakPolarHBondContact CG1-NE2 3.38Å
7D95.4Very high85.8Confident37 Ų3799.7 Ų99.720%0.19855%0.548CS..  trans-145168.1-174.5-161.911.9000112I5 L222 P223 S224I5-D7 HydrophobicContact CG2-CB 4.16Å; I5-D7 PolarHBondContact O-N 2.81Å; D7-L222 HydrophobicContact CB-CB 4.39Å; D7-L222 HydrophobicContact CB-CD1 4.21Å; D7-L222 WeakPolarHBondContact OD1-CB 3.24Å; D7-P223 WeakPolarHBondContact OD2-CB 3.43Å; D7-P223 WeakPolarHBondContact OD2-CD 3.46Å; D7-S224 WeakPolarHBondContact OD1-CB 3.47Å; D7-S224 PolarHBondContact OD1-OG 3.17Å; D7-S224 PolarHBondContact OD2-N 3.34Å
8E93.3Very high86.5Confident53 Ų5394.7 Ų94.725%0.24852%0.52CS..  trans-97.2147.3176.5-64-56.5147.300112.1S224 H234 P235 F264 K279E8-S224 VanDerWaalsContact O-CB 3.25Å; E8-S224 WeakPolarHBondContact O-CB 3.24Å; E8-H234 IonicContact OE1-CE1 3.53Å; E8-H234 IonicContact OE1-CG 3.74Å; E8-H234 IonicContact OE1-ND1 2.69Å; E8-H234 PolarHBondContact OE1-ND1 2.97Å; E8-P235 HydrophobicContact CB-CG 4.18Å; E8-P235 HydrophobicContact CG-CG 3.66Å; E8-F264 HydrophobicContact CB-CE2 4.29Å; E8-F264 HydrophobicContact CG-CE2 4.31Å; E8-K279 HydrophobicContact CG-CD 4.46Å
9S92.1Very high87.1Confident115 Ų11591.3 Ų91.380%0.80450%0.501SS*.  trans-100.5115.4170.2-680000110G11S9-G11 PolarHBondContact O-N 2.87Å
10L93.7Very high87.7Confident58 Ų5887.8 Ų87.830%0.30448%0.482SS..  trans-72.8113.1176.9-55-170.5000110.2S224 R263 F264 A267 P280L10-S224 WeakPolarHBondContact CD1-O 3.49Å; L10-R263 HydrophobicContact CD1-CB 4.4Å; L10-F264 HydrophobicContact CD2-CD2 4.05Å; L10-A267 HydrophobicContact CD1-CB 4.29Å; L10-A267 HydrophobicContact CD2-CB 3.88Å; L10-P280 HydrophobicContact CD2-CG 3.68Å
11G87Confident88.2Confident44 Ų4489.9 Ų89.945%0.45449%0.488SS..  trans-63.6154.2177.600000112.8S9 D13 C14S9-G11 PolarHBondContact O-N 2.87Å; G11-D13 PolarHBondContact O-N 3.37Å; G11-C14 WeakPolarHBondContact O-CB 3.44Å; G11-C14 PolarHBondContact O-N 3.42Å; G11-C14 PolarHBondContact O-SG 2.82Å
12K88.2Confident90.7Very high184 Ų18482.5 Ų82.580%0.845%0.45SS*.THydrogen-bonded Turntrans-62.5-28.6-178.9-70-178179.7177.40113.8K16K12-K16 PolarHBondContact O-NZ 2.86Å
13D89.4Confident92.3Very high153 Ų15377.7 Ų77.782%0.81841%0.41SS*.THydrogen-bonded Turntrans-92.43.8-176.3-53.1-41.2000112.4G11G11-D13 PolarHBondContact O-N 3.37Å
14C93.8Very high93.8Very high29 Ų2971.9 Ų71.920%0.19638%0.384CS..SBendtrans-62.5149.8176.6750000110.9G11 K16 A267G11-C14 WeakPolarHBondContact O-CB 3.44Å; G11-C14 PolarHBondContact O-N 3.42Å; G11-C14 PolarHBondContact O-SG 2.82Å; C14-K16 PolarHBondContact O-N 2.97Å; C14-A267 HydrophobicContact CB-CB 3.68Å
15P96.6Very high94.7Very high20 Ų2073.7 Ų73.713%0.1338%0.38CS..  trans-62.4139179.4-20.932.8000111.4L19 L266 A267 Q269 D271P15-L19 HydrophobicContact CB-CD1 4.49Å; P15-L266 WeakPolarHBondContact CB-O 3.32Å; P15-L266 CarbonylContact O-C 3.33Å; P15-A267 PolarHBondContact O-N 2.89Å; P15-Q269 HydrophobicContact CB-CB 4.46Å; P15-Q269 HydrophobicContact CG-CB 4.43Å; P15-D271 HydrophobicContact CB-CB 4.49Å; P15-D271 HydrophobicContact CG-CB 3.91Å
16K95.6Very high95.2Very high116 Ų11668.7 Ų68.750%0.50436%0.355SS..  trans-119.4-9.1-177.8-65.3169.6-167.6154.20113K12 C14 L266 P322K12-K16 PolarHBondContact O-NZ 2.86Å; C14-K16 PolarHBondContact O-N 2.97Å; K16-L266 WeakPolarHBondContact O-CD1 3.29Å; K16-P322 HydrophobicContact CB-CB 3.98Å; K16-P322 HydrophobicContact CB-CG 4.41Å; K16-P322 WeakPolarHBondContact O-CB 3.48Å
17E96.6Very high95.3Very high144 Ų14466.7 Ų66.767%0.67334%0.343SS*.SBendtrans-106.6147.8177.2-175.6-179.817600109.3L19 Q269E17-L19 HydrophobicContact CB-CD2 4.34Å; E17-L19 HydrophobicContact CG-CD2 4.47Å; E17-L19 PolarHBondContact O-N 3.22Å; E17-Q269 PolarHBondContact O-NE2 2.81Å
18L98.2Very high95.3Very high10 Ų1067.2 Ų67.25%0.05235%0.347CS..  trans-80.5113.1175.3-179.357.1000110.8L20 L266 L293 L296 A326 T329 A330L18-L20 HydrophobicContact CD1-CD2 3.98Å; L18-L20 HydrophobicContact CD2-CD2 3.76Å; L18-L20 HydrophobicContact CD2-CG 4.19Å; L18-L20 HydrophobicContact CG-CD2 3.6Å; L18-L20 HydrophobicContact CG-CG 3.93Å; L18-L20 PolarHBondContact O-N 3.09Å; L18-L20 VanDerWaalsContact O-N 3.15Å; L18-L266 HydrophobicContact CB-CD2 3.89Å; L18-L266 HydrophobicContact CD1-CD2 4.08Å; L18-L293 HydrophobicContact CD1-CD2 4.5Å; L18-L296 HydrophobicContact CD1-CD1 3.61Å; L18-L296 HydrophobicContact CD2-CD1 4.31Å; L18-A326 HydrophobicContact CB-CB 4.12Å; L18-T329 HydrophobicContact CD2-CG2 4.3Å; L18-A330 HydrophobicContact CD2-CB 4.07Å
19L98.2Very high95.4Very high29 Ų2969.5 Ų69.515%0.15235%0.353CS..  trans-93.952.5-165.9-57.6177.3000113.4P15 E17 Q21 K22 H23 Q269 D271P15-L19 HydrophobicContact CB-CD1 4.49Å; E17-L19 HydrophobicContact CB-CD2 4.34Å; E17-L19 HydrophobicContact CG-CD2 4.47Å; E17-L19 PolarHBondContact O-N 3.22Å; L19-Q21 VanDerWaalsContact C-N 3.32Å; L19-Q21 PolarHBondContact O-N 3.49Å; L19-Q21 VanDerWaalsContact O-N 3.14Å; L19-K22 HydrophobicContact CB-CB 4.15Å; L19-K22 HydrophobicContact CB-CD 4.22Å; L19-K22 HydrophobicContact CD1-CD 4.06Å; L19-K22 WeakPolarHBondContact O-CA 3.43Å; L19-K22 WeakPolarHBondContact O-CB 3.32Å; L19-K22 PolarHBondContact O-N 3.16Å; L19-H23 VanDerWaalsContact C-CD2 3.49Å; L19-H23 PolarHBondContact O-CD2 2.97Å; L19-H23 VanDerWaalsContact O-CD2 3.27Å; L19-H23 PolarHBondContact O-N 3.41Å; L19-Q269 HydrophobicContact CD1-CB 4.48Å; L19-D271 HydrophobicContact CD1-CB 3.85Å
20L98.5Very high95.3Very high21 Ų2165.1 Ų65.111%0.1132%0.322CS..Hα-helixtrans-50.7-44.7-171.8-61.2-175.6000114.3L18 K22 H23 L24 L56 L293 T329 K333 L334L18-L20 HydrophobicContact CD1-CD2 3.98Å; L18-L20 HydrophobicContact CD2-CD2 3.76Å; L18-L20 HydrophobicContact CD2-CG 4.19Å; L18-L20 HydrophobicContact CG-CD2 3.6Å; L18-L20 HydrophobicContact CG-CG 3.93Å; L18-L20 PolarHBondContact O-N 3.09Å; L18-L20 VanDerWaalsContact O-N 3.15Å; L20-K22 VanDerWaalsContact C-N 3.29Å; L20-K22 PolarHBondContact O-N 2.94Å; L20-H23 PolarHBondContact O-N 2.94Å; L20-L24 PolarHBondContact O-N 3.35Å; L20-L56 HydrophobicContact CB-CD2 4.11Å; L20-L56 HydrophobicContact CD2-CD2 3.75Å; L20-L56 HydrophobicContact CG-CD2 4.37Å; L20-L293 HydrophobicContact CD2-CD2 4.06Å; L20-T329 HydrophobicContact CD1-CG2 4.05Å; L20-K333 HydrophobicContact CD1-CB 3.54Å; L20-K333 HydrophobicContact CD1-CG 4.2Å; L20-L334 HydrophobicContact CD2-CD2 3.95Å
21Q97.9Very high94.8Very high133 Ų13365.1 Ų65.162%0.62132%0.32SS*.Hα-helixtrans-67.5-29-179.7-68.3-60.9-4200113.1L19 K25L19-Q21 VanDerWaalsContact C-N 3.32Å; L19-Q21 PolarHBondContact O-N 3.49Å; L19-Q21 VanDerWaalsContact O-N 3.14Å; Q21-K25 WeakPolarHBondContact O-CG 3.47Å; Q21-K25 PolarHBondContact O-N 3.48Å
22K98.5Very high94.2Very high77 Ų7767.5 Ų67.534%0.33533%0.33SS..Hα-helixtrans-75.4-41.2172.9-72.4176.3169.6-93.30110.5L19 L20 L24 K25 F26 D271 Q272L19-K22 HydrophobicContact CB-CB 4.15Å; L19-K22 HydrophobicContact CB-CD 4.22Å; L19-K22 HydrophobicContact CD1-CD 4.06Å; L19-K22 WeakPolarHBondContact O-CA 3.43Å; L19-K22 WeakPolarHBondContact O-CB 3.32Å; L19-K22 PolarHBondContact O-N 3.16Å; L20-K22 VanDerWaalsContact C-N 3.29Å; L20-K22 PolarHBondContact O-N 2.94Å; K22-L24 VanDerWaalsContact C-N 3.34Å; K22-L24 PolarHBondContact O-N 3.32Å; K22-K25 PolarHBondContact O-N 3.42Å; K22-F26 WeakPolarHBondContact O-CB 3.35Å; K22-F26 PolarHBondContact O-N 3.16Å; K22-D271 WeakPolarHBondContact CE-O 3.41Å; K22-D271 PolarHBondContact NZ-O 2.8Å; K22-Q272 PolarHBondContact NZ-O 2.93Å
23H98.6Very high93.6Very high0 Ų064.5 Ų64.50%032%0.318CS..Hα-helixtrans-60.7-41.1174.6-56.3-45.3000112.5L19 L20 K25 F26 L27 L56 Q269 G275 T289L19-H23 VanDerWaalsContact C-CD2 3.49Å; L19-H23 PolarHBondContact O-CD2 2.97Å; L19-H23 VanDerWaalsContact O-CD2 3.27Å; L19-H23 PolarHBondContact O-N 3.41Å; L20-H23 PolarHBondContact O-N 2.94Å; H23-K25 PolarHBondContact O-N 2.91Å; H23-F26 WeakPolarHBondContact O-CB 3.43Å; H23-F26 PolarHBondContact O-N 2.83Å; H23-L27 WeakPolarHBondContact O-CB 3.44Å; H23-L27 WeakPolarHBondContact O-CD1 3.32Å; H23-L27 VanDerWaalsContact O-CG 3.23Å; H23-L27 WeakPolarHBondContact O-CG 3.37Å; H23-L27 PolarHBondContact O-N 3.03Å; H23-L56 HydrophobicContact CB-CD1 4.47Å; H23-Q269 PolarHBondContact CE1-OE1 2.88Å; H23-Q269 PolarHBondContact NE2-OE1 3.26Å; H23-G275 PolarHBondContact CE1-O 3.14Å; H23-G275 VanDerWaalsContact CE1-O 3.31Å; H23-G275 WeakPolarHBondContact ND1-CA 3.45Å; H23-G275 PolarHBondContact ND1-N 2.97Å; H23-G275 PolarHBondContact ND1-O 3.34Å; H23-T289 HydrophobicContact CB-CG2 4.49Å
24L98.1Very high92.8Very high24 Ų2462.9 Ų62.913%0.12631%0.31CS..Hα-helixtrans-55.7-53173.7-173.4167.6000110.9L20 K22 F26 L27 V28 L56 S58L20-L24 PolarHBondContact O-N 3.35Å; K22-L24 VanDerWaalsContact C-N 3.34Å; K22-L24 PolarHBondContact O-N 3.32Å; L24-F26 VanDerWaalsContact C-N 3.3Å; L24-F26 PolarHBondContact O-N 2.96Å; L24-L27 PolarHBondContact O-N 3.17Å; L24-V28 HydrophobicContact CD2-CG2 3.92Å; L24-V28 WeakPolarHBondContact O-CG2 3.44Å; L24-V28 PolarHBondContact O-N 3.38Å; L24-L56 HydrophobicContact CB-CD1 4.28Å; L24-S58 WeakPolarHBondContact CD1-OG 3.28Å
25K97.2Very high92.1Very high146 Ų14665.1 Ų65.164%0.63532%0.32SS*.Hα-helixtrans-60.2-39.7179.2-69.9176.8-176.7-177.30112.6Q21 K22 H23 R29Q21-K25 WeakPolarHBondContact O-CG 3.47Å; Q21-K25 PolarHBondContact O-N 3.48Å; K22-K25 PolarHBondContact O-N 3.42Å; H23-K25 PolarHBondContact O-N 2.91Å; K25-R29 PolarHBondContact O-N 3.06Å; K25-R29 VanDerWaalsContact O-N 3.13Å
26F97.8Very high91.2Very high8 Ų868.3 Ų68.34%0.03534%0.342CS..Hα-helixtrans-59.6-49.8174.3171.5-93.9000111.5K22 H23 L24 V28 R29 C30 G274 G275 P284 T289K22-F26 WeakPolarHBondContact O-CB 3.35Å; K22-F26 PolarHBondContact O-N 3.16Å; H23-F26 WeakPolarHBondContact O-CB 3.43Å; H23-F26 PolarHBondContact O-N 2.83Å; L24-F26 VanDerWaalsContact C-N 3.3Å; L24-F26 PolarHBondContact O-N 2.96Å; F26-V28 PolarHBondContact O-N 3.38Å; F26-R29 WeakPolarHBondContact O-CB 3.27Å; F26-R29 PolarHBondContact O-N 3.11Å; F26-R29 VanDerWaalsContact O-N 3.13Å; F26-C30 VanDerWaalsContact CE1-SG 3.54Å; F26-C30 WeakPolarHBondContact CZ-SG 3.24Å; F26-C30 PolarHBondContact O-N 3.34Å; F26-C30 PolarHBondContact O-SG 3.38Å; F26-C30 VanDerWaalsContact O-SG 3.37Å; F26-G274 WeakPolarHBondContact CD2-O 3.39Å; F26-G275 VanDerWaalsContact CD1-CA 3.44Å; F26-P284 HydrophobicContact CD2-CG 4.32Å; F26-P284 HydrophobicContact CE2-CB 3.99Å; F26-P284 HydrophobicContact CE2-CG 3.76Å; F26-P284 HydrophobicContact CZ-CB 4.04Å; F26-P284 HydrophobicContact CZ-CG 4.3Å; F26-T289 HydrophobicContact CD1-CG2 4.43Å; F26-T289 WeakPolarHBondContact CE1-OG1 3.45Å
27L97.6Very high90.4Very high0 Ų067.3 Ų67.30%035%0.346CS..Hα-helixtrans-64.7-40.8-178.1-69.3163.9000112.5H23 L24 R29 C30 K31 V49 A52 L53 L56 T289H23-L27 WeakPolarHBondContact O-CB 3.44Å; H23-L27 WeakPolarHBondContact O-CD1 3.32Å; H23-L27 VanDerWaalsContact O-CG 3.23Å; H23-L27 WeakPolarHBondContact O-CG 3.37Å; H23-L27 PolarHBondContact O-N 3.03Å; L24-L27 PolarHBondContact O-N 3.17Å; L27-R29 VanDerWaalsContact C-N 3.27Å; L27-R29 PolarHBondContact O-N 3.37Å; L27-C30 PolarHBondContact O-N 3.48Å; L27-K31 PolarHBondContact O-N 3.35Å; L27-V49 HydrophobicContact CB-CG1 4.43Å; L27-A52 HydrophobicContact CD1-CB 3.53Å; L27-A52 HydrophobicContact CD2-CB 3.79Å; L27-A52 HydrophobicContact CG-CB 4.32Å; L27-L53 HydrophobicContact CB-CD2 3.72Å; L27-L53 HydrophobicContact CB-CG 3.96Å; L27-L53 HydrophobicContact CD1-CD2 4.17Å; L27-L53 HydrophobicContact CD1-CG 4.33Å; L27-L56 HydrophobicContact CD1-CD1 3.67Å; L27-T289 HydrophobicContact CD1-CG2 4.29Å; L27-T289 HydrophobicContact CD2-CG2 3.98Å; L27-T289 HydrophobicContact CG-CG2 4.22Å
28V95.5Very high89.8Confident48 Ų4864.6 Ų64.629%0.29134%0.336SS..Hα-helixtrans-61.8-37.4174.2173.10000111L24 F26 K31 L53 E61L24-V28 HydrophobicContact CD2-CG2 3.92Å; L24-V28 WeakPolarHBondContact O-CG2 3.44Å; L24-V28 PolarHBondContact O-N 3.38Å; F26-V28 PolarHBondContact O-N 3.38Å; V28-K31 PolarHBondContact O-N 2.66Å; V28-L53 HydrophobicContact CG2-CD2 4.17Å; V28-E61 HydrophobicContact CG2-CB 3.82Å; V28-E61 HydrophobicContact CG2-CG 4.28Å
29R93.6Very high89.4Confident100 Ų10065.6 Ų65.638%0.37734%0.342SS..Hα-helixtrans-67.3-43.6174-176.3176.865.8-146.7-0.7112.2K25 F26 L27 K31 S32 E33 T273K25-R29 PolarHBondContact O-N 3.06Å; K25-R29 VanDerWaalsContact O-N 3.13Å; F26-R29 WeakPolarHBondContact O-CB 3.27Å; F26-R29 PolarHBondContact O-N 3.11Å; F26-R29 VanDerWaalsContact O-N 3.13Å; L27-R29 VanDerWaalsContact C-N 3.27Å; L27-R29 PolarHBondContact O-N 3.37Å; R29-K31 PolarHBondContact O-N 2.9Å; R29-K31 VanDerWaalsContact O-N 3.14Å; R29-S32 PolarHBondContact O-N 3.25Å; R29-S32 PolarHBondContact O-OG 3.15Å; R29-E33 IonicContact NE-OE1 2.71Å; R29-E33 PolarHBondContact O-N 3.22Å; R29-T273 PolarHBondContact NH2-OG1 3.17Å
30C91.4Very high88.9Confident23 Ų2371.7 Ų71.716%0.15536%0.364CS..Hα-helixtrans-58.1-29.5178.3-68.20000113.1F26 L27 V49F26-C30 VanDerWaalsContact CE1-SG 3.54Å; F26-C30 WeakPolarHBondContact CZ-SG 3.24Å; F26-C30 PolarHBondContact O-N 3.34Å; F26-C30 PolarHBondContact O-SG 3.38Å; F26-C30 VanDerWaalsContact O-SG 3.37Å; L27-C30 PolarHBondContact O-N 3.48Å; C30-V49 HydrophobicContact CB-CG2 4Å
31K82.6Confident88.6Confident58 Ų5872 Ų7225%0.25237%0.367SS..Hα-helixtrans-68.5-30.5175171.261.7179.9136.90113.1L27 V28 R29 V49 V62 E66 I67L27-K31 PolarHBondContact O-N 3.35Å; V28-K31 PolarHBondContact O-N 2.66Å; R29-K31 PolarHBondContact O-N 2.9Å; R29-K31 VanDerWaalsContact O-N 3.14Å; K31-V49 HydrophobicContact CB-CG1 4.48Å; K31-V62 HydrophobicContact CB-CG1 4.17Å; K31-V62 HydrophobicContact CG-CG1 3.77Å; K31-E66 IonicContact NZ-OE1 3.18Å; K31-E66 PolarHBondContact NZ-OE1 3.4Å; K31-I67 HydrophobicContact CD-CD1 3.98Å; K31-I67 VanDerWaalsContact CE-CD1 3.43Å
32S73.8Confident88.4Confident94 Ų9469.3 Ų69.366%0.65735%0.351SS*.Hα-helixtrans-84.9-15.2-178.566.70000113.5R29 N34R29-S32 PolarHBondContact O-N 3.25Å; R29-S32 PolarHBondContact O-OG 3.15Å; S32-N34 PolarHBondContact O-N 3.46Å
33E75.5Confident88.3Confident121 Ų12165.6 Ų65.657%0.56534%0.335SS*.  trans-77.6115.9176.8-71.1173.5-171.400110.7R29R29-E33 IonicContact NE-OE1 2.71Å; R29-E33 PolarHBondContact O-N 3.22Å
34N73.1Confident88.3Confident120 Ų12066.5 Ų66.564%0.64234%0.341SS*.  trans-105.583.8175.1-171.730.7000109.6S32 R42S32-N34 PolarHBondContact O-N 3.46Å; N34-R42 PolarHBondContact OD1-NH1 3.25Å; N34-R42 PolarHBondContact OD1-NH2 3.01Å; N34-R42 VanDerWaalsContact OD1-NH2 3.16Å
35D79Confident88.2Confident76 Ų7666 Ų6641%0.40634%0.343SS..  trans-97.7105.9175.3-172.3-8.8000111T37 L38D35-T37 PolarHBondContact O-N 2.93Å; D35-T37 VanDerWaalsContact O-N 3.16Å; D35-T37 VanDerWaalsContact OD1-CB 3.31Å; D35-T37 WeakPolarHBondContact OD1-CB 3.44Å; D35-T37 WeakPolarHBondContact OD1-CG2 3.43Å; D35-T37 PolarHBondContact OD1-N 3.49Å; D35-T37 PolarHBondContact OD1-OG1 2.95Å; D35-T37 PolarHBondContact OD2-OG1 2.96Å; D35-L38 HydrophobicContact CB-CD1 4.33Å; D35-L38 HydrophobicContact CB-CG 4.41Å; D35-L38 PolarHBondContact O-N 3.1Å; D35-L38 VanDerWaalsContact O-N 3.07Å
36S78.7Confident88.2Confident86 Ų8660.1 Ų60.160%0.60132%0.318SS*.G310 helixtrans-61.8-19.7177.354.20000113.7L38 D39S36-L38 PolarHBondContact O-N 3.1Å; S36-D39 WeakPolarHBondContact O-CB 3.48Å; S36-D39 PolarHBondContact O-N 3.45Å
37T78.5Confident88.2Confident96 Ų9660.2 Ų60.259%0.58932%0.318SS*.G310 helixtrans-68.8-18.1176.371.90000112.4D35 Y40D35-T37 PolarHBondContact O-N 2.93Å; D35-T37 VanDerWaalsContact O-N 3.16Å; D35-T37 VanDerWaalsContact OD1-CB 3.31Å; D35-T37 WeakPolarHBondContact OD1-CB 3.44Å; D35-T37 WeakPolarHBondContact OD1-CG2 3.43Å; D35-T37 PolarHBondContact OD1-N 3.49Å; D35-T37 PolarHBondContact OD1-OG1 2.95Å; D35-T37 PolarHBondContact OD2-OG1 2.96Å; T37-Y40 WeakPolarHBondContact O-CD1 3.44Å; T37-Y40 VanDerWaalsContact O-CE1 3.24Å; T37-Y40 WeakPolarHBondContact O-CE1 3.4Å
38L84.6Confident88.2Confident86 Ų8662.5 Ų62.545%0.4533%0.326SS..G310 helixtrans-100.58.8177-58.4178.8000113D35 S36 Y40 C41 R42D35-L38 HydrophobicContact CB-CD1 4.33Å; D35-L38 HydrophobicContact CB-CG 4.41Å; D35-L38 PolarHBondContact O-N 3.1Å; D35-L38 VanDerWaalsContact O-N 3.07Å; S36-L38 PolarHBondContact O-N 3.1Å; L38-Y40 HydrophobicContact CD2-CE1 4.44Å; L38-Y40 PolarHBondContact O-N 2.91Å; L38-Y40 VanDerWaalsContact O-N 3.07Å; L38-C41 PolarHBondContact O-N 3.2Å; L38-C41 PolarHBondContact O-SG 3.25Å; L38-R42 PolarHBondContact O-N 2.93Å
39D88.9Confident88.4Confident32 Ų3260.6 Ų60.617%0.17132%0.315CS..THydrogen-bonded Turntrans-57.9-27.2-178.5-87.2-20000113S36 C41 R42 P83 C84S36-D39 WeakPolarHBondContact O-CB 3.48Å; S36-D39 PolarHBondContact O-N 3.45Å; D39-C41 VanDerWaalsContact C-N 3.26Å; D39-C41 PolarHBondContact O-N 3.02Å; D39-R42 WeakPolarHBondContact OD1-CD 3.3Å; D39-R42 IonicContact OD1-NH1 3.88Å; D39-R42 PolarHBondContact OD1-NH1 3.38Å; D39-R42 VanDerWaalsContact OD1-NH1 3.16Å; D39-P83 WeakPolarHBondContact O-CB 3.49Å; D39-C84 HydrophobicContact CB-CB 4.06Å; D39-C84 WeakPolarHBondContact O-CB 3.45Å; D39-C84 PolarHBondContact OD1-SG 3.32Å
40Y87.2Confident88.6Confident157 Ų15755.9 Ų55.962%0.61630%0.297SS*.THydrogen-bonded Turntrans-69.1-18.8178.471.7-90.1000114.1T37 L38 P83T37-Y40 WeakPolarHBondContact O-CD1 3.44Å; T37-Y40 VanDerWaalsContact O-CE1 3.24Å; T37-Y40 WeakPolarHBondContact O-CE1 3.4Å; L38-Y40 HydrophobicContact CD2-CE1 4.44Å; L38-Y40 PolarHBondContact O-N 2.91Å; L38-Y40 VanDerWaalsContact O-N 3.07Å; Y40-P83 WeakPolarHBondContact O-CB 3.36Å; Y40-P83 WeakPolarHBondContact O-CG 3.32Å
41C91.4Very high88.9Confident28 Ų2854.8 Ų54.819%0.18929%0.29CS..THydrogen-bonded Turntrans-126.57.3177.364.70000113.2L38 D39 M43 S44 G45L38-C41 PolarHBondContact O-N 3.2Å; L38-C41 PolarHBondContact O-SG 3.25Å; D39-C41 VanDerWaalsContact C-N 3.26Å; D39-C41 PolarHBondContact O-N 3.02Å; C41-M43 PolarHBondContact O-N 3.42Å; C41-S44 WeakPolarHBondContact O-CA 3.32Å; C41-S44 PolarHBondContact O-N 3.4Å; C41-G45 PolarHBondContact O-N 3.44Å
42R95Very high89.7Confident75 Ų7552 Ų5228%0.28328%0.278SS..Hα-helixtrans-51.6-45.6-174.1176173.1-174.8146.610.2114.1N34 L38 D39 S44 G45 I46 F70 P83N34-R42 PolarHBondContact OD1-NH1 3.25Å; N34-R42 PolarHBondContact OD1-NH2 3.01Å; N34-R42 VanDerWaalsContact OD1-NH2 3.16Å; L38-R42 PolarHBondContact O-N 2.93Å; D39-R42 WeakPolarHBondContact OD1-CD 3.3Å; D39-R42 IonicContact OD1-NH1 3.88Å; D39-R42 PolarHBondContact OD1-NH1 3.38Å; D39-R42 VanDerWaalsContact OD1-NH1 3.16Å; R42-S44 VanDerWaalsContact C-N 3.33Å; R42-S44 PolarHBondContact O-N 2.93Å; R42-G45 PolarHBondContact O-N 3.11Å; R42-I46 HydrophobicContact CG-CD1 4.13Å; R42-I46 WeakPolarHBondContact O-CG1 3.48Å; R42-I46 PolarHBondContact O-N 2.88Å; R42-F70 HydrophobicContact CG-CE1 4.33Å; R42-F70 HydrophobicContact CG-CZ 3.98Å; R42-P83 WeakPolarHBondContact CB-O 3.29Å
43M97Very high90.9Very high0 Ų047.6 Ų47.60%025%0.247CC..Hα-helixtrans-57.2-44175.5-173.967.568.100112.8C41 I46 Y47 F70 V71 C74 A82 P83 S93 A97 I100C41-M43 PolarHBondContact O-N 3.42Å; M43-I46 PolarHBondContact O-N 3.37Å; M43-Y47 PolarHBondContact O-N 3.35Å; M43-Y47 VanDerWaalsContact O-N 3.07Å; M43-F70 HydrophobicContact CE-CE1 4.32Å; M43-V71 HydrophobicContact CE-CB 4.45Å; M43-V71 HydrophobicContact CE-CG1 4.22Å; M43-V71 HydrophobicContact CE-CG2 4.38Å; M43-V71 HydrophobicContact SD-CB 4.41Å; M43-V71 HydrophobicContact SD-CG1 4.13Å; M43-V71 HydrophobicContact SD-CG2 3.82Å; M43-C74 HydrophobicContact CE-CB 3.46Å; M43-C74 VanDerWaalsContact CE-CB 3.46Å; M43-A82 WeakPolarHBondContact CE-O 3.43Å; M43-P83 PolarHBondContact N-O 2.95Å; M43-S93 WeakPolarHBondContact CG-O 3.14Å; M43-A97 HydrophobicContact CE-CB 4.14Å; M43-A97 HydrophobicContact CG-CB 4.17Å; M43-A97 HydrophobicContact SD-CB 3.81Å; M43-I100 HydrophobicContact SD-CD1 3.82Å
44S97.2Very high92Very high18 Ų1841.9 Ų41.913%0.12622%0.22CC..Hα-helixtrans-70-38176.6-58.80000111.4C41 R42 I46 Y47 W48 S96C41-S44 WeakPolarHBondContact O-CA 3.32Å; C41-S44 PolarHBondContact O-N 3.4Å; R42-S44 VanDerWaalsContact C-N 3.33Å; R42-S44 PolarHBondContact O-N 2.93Å; S44-I46 VanDerWaalsContact C-N 3.34Å; S44-I46 PolarHBondContact O-N 3.32Å; S44-Y47 WeakPolarHBondContact O-CB 3.26Å; S44-Y47 PolarHBondContact O-N 2.88Å; S44-W48 VanDerWaalsContact CB-CZ2 3.44Å; S44-W48 PolarHBondContact O-N 3.49Å; S44-S96 WeakPolarHBondContact CA-OG 3.48Å; S44-S96 PolarHBondContact OG-OG 3.22Å
45G96.2Very high93.2Very high15 Ų1536.1 Ų36.116%0.15519%0.19CC..Hα-helixtrans-54.4-47.4171.100000113.1C41 R42 W48 V49C41-G45 PolarHBondContact O-N 3.44Å; R42-G45 PolarHBondContact O-N 3.11Å; G45-W48 VanDerWaalsContact CA-CE3 3.44Å; G45-W48 PolarHBondContact O-N 3.33Å; G45-V49 WeakPolarHBondContact O-CG2 3.5Å; G45-V49 PolarHBondContact O-N 3.19Å
46I96.8Very high94.1Very high21 Ų2133.4 Ų33.411%0.10818%0.175CC..Hα-helixtrans-60.3-48.9175.1-68.3167.2000110R42 M43 S44 W48 V49 L50 I67 F70 I100R42-I46 HydrophobicContact CG-CD1 4.13Å; R42-I46 WeakPolarHBondContact O-CG1 3.48Å; R42-I46 PolarHBondContact O-N 2.88Å; M43-I46 PolarHBondContact O-N 3.37Å; S44-I46 VanDerWaalsContact C-N 3.34Å; S44-I46 PolarHBondContact O-N 3.32Å; I46-W48 VanDerWaalsContact C-N 3.28Å; I46-W48 PolarHBondContact O-N 3.07Å; I46-V49 PolarHBondContact O-N 3.12Å; I46-L50 HydrophobicContact CG2-CD1 3.44Å; I46-L50 VanDerWaalsContact CG2-CD1 3.44Å; I46-L50 HydrophobicContact CG2-CG 4.08Å; I46-L50 WeakPolarHBondContact O-CB 3.37Å; I46-L50 WeakPolarHBondContact O-CG 3.47Å; I46-L50 PolarHBondContact O-N 3.38Å; I46-I67 HydrophobicContact CG2-CD1 3.91Å; I46-I67 HydrophobicContact CG2-CG2 4.28Å; I46-F70 HydrophobicContact CD1-CD1 3.51Å; I46-F70 HydrophobicContact CD1-CE1 3.34Å; I46-F70 HydrophobicContact CD1-CZ 4.24Å; I46-I100 HydrophobicContact CB-CD1 4.15Å; I46-I100 HydrophobicContact CG2-CD1 3.69Å; I46-I100 HydrophobicContact CG2-CG1 4.44Å
47Y98.4Very high95Very high11 Ų1134.8 Ų34.84%0.04318%0.176CC..Hα-helixtrans-56.1-41.6176.1161.1-105.3000112.3M43 S44 T51 Q99 L290 C342M43-Y47 PolarHBondContact O-N 3.35Å; M43-Y47 VanDerWaalsContact O-N 3.07Å; S44-Y47 WeakPolarHBondContact O-CB 3.26Å; S44-Y47 PolarHBondContact O-N 2.88Å; Y47-T51 VanDerWaalsContact CD2-OG1 3.28Å; Y47-T51 WeakPolarHBondContact CD2-OG1 3.43Å; Y47-T51 HydrophobicContact CE2-CG2 4.5Å; Y47-T51 WeakPolarHBondContact CE2-OG1 3.46Å; Y47-T51 VanDerWaalsContact O-CB 3.29Å; Y47-T51 WeakPolarHBondContact O-CB 3.37Å; Y47-T51 PolarHBondContact O-N 3.34Å; Y47-T51 PolarHBondContact O-OG1 2.74Å; Y47-Q99 HydrophobicContact CD2-CB 3.68Å; Y47-Q99 HydrophobicContact CD2-CG 4.48Å; Y47-Q99 HydrophobicContact CE2-CB 3.7Å; Y47-Q99 VanDerWaalsContact CE2-CD 3.45Å; Y47-Q99 HydrophobicContact CE2-CG 4.15Å; Y47-Q99 VanDerWaalsContact CZ-NE2 3.32Å; Y47-Q99 PolarHBondContact OH-NE2 2.83Å; Y47-Q99 VanDerWaalsContact OH-NE2 3.11Å; Y47-L290 HydrophobicContact CE1-CD2 4.22Å; Y47-C342 WeakPolarHBondContact OH-CB 3.44Å; Y47-C342 PolarHBondContact OH-O 3.29Å
48W98.4Very high96Very high47 Ų4730.9 Ų30.918%0.17815%0.152CC..Hα-helixtrans-64.1-47.5179.4-54.8-33.6000112.1S44 G45 I46 A52 P286 F287 L290S44-W48 VanDerWaalsContact CB-CZ2 3.44Å; S44-W48 PolarHBondContact O-N 3.49Å; G45-W48 VanDerWaalsContact CA-CE3 3.44Å; G45-W48 PolarHBondContact O-N 3.33Å; I46-W48 VanDerWaalsContact C-N 3.28Å; I46-W48 PolarHBondContact O-N 3.07Å; W48-A52 WeakPolarHBondContact O-CB 3.42Å; W48-A52 PolarHBondContact O-N 2.97Å; W48-A52 VanDerWaalsContact O-N 3.08Å; W48-P286 HydrophobicContact CB-CB 4.38Å; W48-F287 HydrophobicContact CD2-CB 3.9Å; W48-F287 HydrophobicContact CD2-CD2 4.02Å; W48-F287 HydrophobicContact CD2-CG 4.46Å; W48-F287 AromaticContact CE2-CD2 3.61Å; W48-F287 HydrophobicContact CE3-CB 3.58Å; W48-F287 HydrophobicContact CE3-CD2 4.24Å; W48-F287 HydrophobicContact CE3-CG 4.44Å; W48-F287 HydrophobicContact CH2-CB 4.34Å; W48-F287 AromaticContact CH2-CD2 3.8Å; W48-F287 HydrophobicContact CH2-CD2 3.8Å; W48-F287 AromaticContact CZ2-CD2 3.52Å; W48-F287 HydrophobicContact CZ2-CD2 3.52Å; W48-F287 HydrophobicContact CZ2-CE2 4.17Å; W48-F287 HydrophobicContact CZ3-CB 3.83Å; W48-F287 HydrophobicContact CZ3-CD2 4.15Å; W48-F287 HydrophobicContact CZ3-CG 4.48Å; W48-L290 HydrophobicContact CB-CB 4.32Å; W48-L290 HydrophobicContact CB-CD2 4.16Å; W48-L290 HydrophobicContact CG-CD2 4.37Å
49V98.1Very high96.5Very high9 Ų928 Ų286%0.05514%0.137CC..Hα-helixtrans-59.9-50.4178171.60000110.9L27 C30 K31 G45 I46 A52 L53 P286L27-V49 HydrophobicContact CB-CG1 4.43Å; C30-V49 HydrophobicContact CB-CG2 4Å; K31-V49 HydrophobicContact CB-CG1 4.48Å; G45-V49 WeakPolarHBondContact O-CG2 3.5Å; G45-V49 PolarHBondContact O-N 3.19Å; I46-V49 PolarHBondContact O-N 3.12Å; V49-A52 PolarHBondContact O-N 3.16Å; V49-L53 HydrophobicContact CG1-CD1 3.88Å; V49-L53 HydrophobicContact CG1-CG 4.43Å; V49-L53 WeakPolarHBondContact O-CG 3.32Å; V49-L53 PolarHBondContact O-N 3.23Å; V49-P286 HydrophobicContact CG2-CB 3.56Å; V49-P286 HydrophobicContact CG2-CG 4.22Å
50L98.4Very high96.9Very high1 Ų131.6 Ų31.61%0.00516%0.164CC..Hα-helixtrans-66.1-42.7-175.8-64.5173.8000112.4I46 A52 L53 D54 L59 V62 I67 I100 M103 Y104I46-L50 HydrophobicContact CG2-CD1 3.44Å; I46-L50 VanDerWaalsContact CG2-CD1 3.44Å; I46-L50 HydrophobicContact CG2-CG 4.08Å; I46-L50 WeakPolarHBondContact O-CB 3.37Å; I46-L50 WeakPolarHBondContact O-CG 3.47Å; I46-L50 PolarHBondContact O-N 3.38Å; L50-A52 VanDerWaalsContact C-N 3.31Å; L50-A52 PolarHBondContact O-N 3.02Å; L50-L53 PolarHBondContact O-N 3.01Å; L50-D54 WeakPolarHBondContact O-CB 3.13Å; L50-D54 PolarHBondContact O-N 3.03Å; L50-L59 HydrophobicContact CB-CD1 4.12Å; L50-L59 HydrophobicContact CD2-CD1 3.91Å; L50-V62 HydrophobicContact CD2-CG2 3.55Å; L50-I67 HydrophobicContact CD1-CG2 3.8Å; L50-I100 HydrophobicContact CD1-CG1 4.04Å; L50-I100 HydrophobicContact CD1-CG2 3.76Å; L50-M103 HydrophobicContact CB-CE 4.34Å; L50-M103 HydrophobicContact CB-SD 3.82Å; L50-Y104 HydrophobicContact CD1-CE2 3.97Å; L50-Y104 HydrophobicContact CD2-CE2 4.45Å; L50-Y104 WeakPolarHBondContact CD2-OH 3.16Å
51T98.8Very high97.3Very high0 Ų029.3 Ų29.30%016%0.159CC..Hα-helixtrans-63.9-40.6178-53.30000110.8Y47 D54 L55 M103 L290 C342Y47-T51 VanDerWaalsContact CD2-OG1 3.28Å; Y47-T51 WeakPolarHBondContact CD2-OG1 3.43Å; Y47-T51 HydrophobicContact CE2-CG2 4.5Å; Y47-T51 WeakPolarHBondContact CE2-OG1 3.46Å; Y47-T51 VanDerWaalsContact O-CB 3.29Å; Y47-T51 WeakPolarHBondContact O-CB 3.37Å; Y47-T51 PolarHBondContact O-N 3.34Å; Y47-T51 PolarHBondContact O-OG1 2.74Å; T51-D54 PolarHBondContact O-N 3.47Å; T51-L55 WeakPolarHBondContact O-CG 3.48Å; T51-L55 PolarHBondContact O-N 3.08Å; T51-M103 WeakPolarHBondContact OG1-CE 3.42Å; T51-L290 HydrophobicContact CG2-CD1 3.54Å; T51-L290 HydrophobicContact CG2-CD2 4.24Å; T51-C342 WeakPolarHBondContact CG2-O 3.37Å
52A98.7Very high97.4Very high0 Ų028.6 Ų28.60%015%0.154CC..Hα-helixtrans-66.5-41.1176.200000112.1L27 W48 V49 L50 L55 L56 L290 L293L27-A52 HydrophobicContact CD1-CB 3.53Å; L27-A52 HydrophobicContact CD2-CB 3.79Å; L27-A52 HydrophobicContact CG-CB 4.32Å; W48-A52 WeakPolarHBondContact O-CB 3.42Å; W48-A52 PolarHBondContact O-N 2.97Å; W48-A52 VanDerWaalsContact O-N 3.08Å; V49-A52 PolarHBondContact O-N 3.16Å; L50-A52 VanDerWaalsContact C-N 3.31Å; L50-A52 PolarHBondContact O-N 3.02Å; A52-L55 PolarHBondContact O-N 2.74Å; A52-L56 VanDerWaalsContact O-CG 3.3Å; A52-L56 WeakPolarHBondContact O-CG 3.47Å; A52-L56 PolarHBondContact O-N 3.36Å; A52-L290 HydrophobicContact CB-CB 4.25Å; A52-L290 HydrophobicContact CB-CD1 4.28Å; A52-L293 HydrophobicContact CB-CD1 4.28Å
53L98.6Very high97.4Very high0 Ų029.4 Ų29.40%016%0.164CC..Hα-helixtrans-62.9-40.4174.2-74.9173.3000112.1L27 V28 V49 L50 L56 D57 S58 V62L27-L53 HydrophobicContact CB-CD2 3.72Å; L27-L53 HydrophobicContact CB-CG 3.96Å; L27-L53 HydrophobicContact CD1-CD2 4.17Å; L27-L53 HydrophobicContact CD1-CG 4.33Å; V28-L53 HydrophobicContact CG2-CD2 4.17Å; V49-L53 HydrophobicContact CG1-CD1 3.88Å; V49-L53 HydrophobicContact CG1-CG 4.43Å; V49-L53 WeakPolarHBondContact O-CG 3.32Å; V49-L53 PolarHBondContact O-N 3.23Å; L50-L53 PolarHBondContact O-N 3.01Å; L53-L56 CarbonylContact O-C 3.53Å; L53-L56 WeakPolarHBondContact O-CB 3.43Å; L53-L56 PolarHBondContact O-N 2.95Å; L53-L56 VanDerWaalsContact O-N 3.17Å; L53-D57 PolarHBondContact O-N 3.07Å; L53-S58 CarbonylContact O-C 3.56Å; L53-S58 WeakPolarHBondContact O-CA 3.36Å; L53-S58 PolarHBondContact O-N 3.43Å; L53-V62 HydrophobicContact CD1-CG1 3.87Å; L53-V62 HydrophobicContact CD1-CG2 4.18Å
54D98.6Very high97.3Very high1 Ų130.1 Ų30.11%0.00517%0.171CC..Hα-helixtrans-68.1-40178-168.911.6000111.9L50 T51 L56 D57 L59 M103 K335 P344 Y346 I347L50-D54 WeakPolarHBondContact O-CB 3.13Å; L50-D54 PolarHBondContact O-N 3.03Å; T51-D54 PolarHBondContact O-N 3.47Å; D54-L56 PolarHBondContact O-N 3.26Å; D54-D57 WeakPolarHBondContact O-CA 3.41Å; D54-D57 PolarHBondContact O-N 2.89Å; D54-L59 HydrophobicContact CB-CB 4.17Å; D54-L59 HydrophobicContact CB-CD1 4.37Å; D54-L59 HydrophobicContact CB-CD2 4.28Å; D54-M103 HydrophobicContact CB-CE 4.46Å; D54-M103 HydrophobicContact CB-SD 4.19Å; D54-K335 WeakPolarHBondContact O-CD 3.24Å; D54-K335 WeakPolarHBondContact O-CE 3.35Å; D54-K335 PolarHBondContact O-NZ 3.36Å; D54-K335 IonicContact OD1-NZ 3.56Å; D54-K335 PolarHBondContact OD1-NZ 2.9Å; D54-P344 HydrophobicContact CB-CG 4.15Å; D54-P344 WeakPolarHBondContact OD2-CG 3.31Å; D54-Y346 PolarHBondContact OD1-OH 2.9Å; D54-Y346 WeakPolarHBondContact OD2-CE1 3.35Å; D54-Y346 PolarHBondContact OD2-OH 2.63Å; D54-Y346 VanDerWaalsContact OD2-OH 3.04Å; D54-I347 WeakPolarHBondContact OD2-CD1 3.14Å
55L98.5Very high97.3Very high0 Ų034.6 Ų34.60%019%0.194CC..Hα-helixtrans-56.7-33.4170.8-72.1173.7000112.5T51 A52 D57 L290 L293 A294 L334 K335 I337 P344T51-L55 WeakPolarHBondContact O-CG 3.48Å; T51-L55 PolarHBondContact O-N 3.08Å; A52-L55 PolarHBondContact O-N 2.74Å; L55-D57 VanDerWaalsContact C-N 3.28Å; L55-L290 HydrophobicContact CD1-CD1 3.97Å; L55-L293 HydrophobicContact CD1-CB 4.36Å; L55-A294 HydrophobicContact CD1-CB 4.29Å; L55-L334 CarbonylContact O-C 3.55Å; L55-L334 WeakPolarHBondContact O-CA 3.16Å; L55-K335 HydrophobicContact CD2-CB 4.37Å; L55-K335 WeakPolarHBondContact CD2-O 3.4Å; L55-K335 PolarHBondContact O-N 3.4Å; L55-I337 HydrophobicContact CD1-CD1 4.04Å; L55-I337 HydrophobicContact CD2-CB 3.87Å; L55-I337 HydrophobicContact CD2-CD1 4.18Å; L55-I337 HydrophobicContact CD2-CG1 4.08Å; L55-P344 HydrophobicContact CD2-CG 4.06Å; L55-P344 HydrophobicContact CG-CG 4.41Å
56L98.5Very high97.3Very high19 Ų1939 Ų3910%0.09921%0.211CC..THydrogen-bonded Turntrans-85.57.7176.5-65.3168.2000113.5L20 H23 L24 L27 A52 L53 D54 S58 L293 L334L20-L56 HydrophobicContact CB-CD2 4.11Å; L20-L56 HydrophobicContact CD2-CD2 3.75Å; L20-L56 HydrophobicContact CG-CD2 4.37Å; H23-L56 HydrophobicContact CB-CD1 4.47Å; L24-L56 HydrophobicContact CB-CD1 4.28Å; L27-L56 HydrophobicContact CD1-CD1 3.67Å; A52-L56 VanDerWaalsContact O-CG 3.3Å; A52-L56 WeakPolarHBondContact O-CG 3.47Å; A52-L56 PolarHBondContact O-N 3.36Å; L53-L56 CarbonylContact O-C 3.53Å; L53-L56 WeakPolarHBondContact O-CB 3.43Å; L53-L56 PolarHBondContact O-N 2.95Å; L53-L56 VanDerWaalsContact O-N 3.17Å; D54-L56 PolarHBondContact O-N 3.26Å; L56-S58 PolarHBondContact O-N 3.01Å; L56-S58 PolarHBondContact O-OG 3Å; L56-L293 HydrophobicContact CD1-CD1 4.16Å; L56-L293 HydrophobicContact CD2-CD1 4.48Å; L56-L293 HydrophobicContact CG-CD1 4.33Å; L56-L334 HydrophobicContact CD2-CD2 3.62Å; L56-L334 HydrophobicContact CG-CD2 4.37Å
57D97.9Very high97.4Very high115 Ų11538 Ų3862%0.61521%0.206SC*.THydrogen-bonded Turntrans53.436-174.7-158.438.9000113.7L53 D54 L55 K335L53-D57 PolarHBondContact O-N 3.07Å; D54-D57 WeakPolarHBondContact O-CA 3.41Å; D54-D57 PolarHBondContact O-N 2.89Å; L55-D57 VanDerWaalsContact C-N 3.28Å; D57-K335 WeakPolarHBondContact OD1-CE 3.36Å; D57-K335 IonicContact OD1-NZ 2.71Å; D57-K335 PolarHBondContact OD1-NZ 2.55Å
58S98Very high97.4Very high14 Ų1437.6 Ų37.610%0.09820%0.204CC..  trans-130.225-172.2-57.20000112.1L24 L53 L56 S60 E61L24-S58 WeakPolarHBondContact CD1-OG 3.28Å; L53-S58 CarbonylContact O-C 3.56Å; L53-S58 WeakPolarHBondContact O-CA 3.36Å; L53-S58 PolarHBondContact O-N 3.43Å; L56-S58 PolarHBondContact O-N 3.01Å; L56-S58 PolarHBondContact O-OG 3Å; S58-S60 PolarHBondContact O-N 2.7Å; S58-E61 WeakPolarHBondContact O-CB 3.42Å; S58-E61 WeakPolarHBondContact O-CG 3.47Å; S58-E61 PolarHBondContact O-N 3.37Å
59L96.7Very high97.3Very high25 Ų2540.2 Ų40.213%0.13122%0.222CC..G310 helixtrans-62.9-23.5177.8-172.462.8000112.5L50 D54 E61 V62 M103 Y104L50-L59 HydrophobicContact CB-CD1 4.12Å; L50-L59 HydrophobicContact CD2-CD1 3.91Å; D54-L59 HydrophobicContact CB-CB 4.17Å; D54-L59 HydrophobicContact CB-CD1 4.37Å; D54-L59 HydrophobicContact CB-CD2 4.28Å; L59-E61 PolarHBondContact O-N 3.22Å; L59-V62 HydrophobicContact CD1-CG2 4.45Å; L59-V62 WeakPolarHBondContact O-CG2 3.45Å; L59-M103 HydrophobicContact CD1-SD 3.66Å; L59-M103 HydrophobicContact CD2-CG 3.63Å; L59-M103 HydrophobicContact CD2-SD 3.76Å; L59-M103 HydrophobicContact CG-SD 4.38Å; L59-Y104 HydrophobicContact CD2-CE1 4.19Å; L59-Y104 HydrophobicContact CG-CE1 4.23Å
60S96Very high97.3Very high107 Ų10741.6 Ų41.675%0.74823%0.227SC*.G310 helixtrans-71.6-9.9177.455.50000114.6S58 V62S58-S60 PolarHBondContact O-N 2.7Å; S60-V62 PolarHBondContact O-N 3.17Å
61E95.1Very high97.3Very high109 Ų10941.5 Ų41.551%0.50923%0.227SC..G310 helixtrans-70.8-8.9177.4-65.5-66.1131.500113V28 S58 L59V28-E61 HydrophobicContact CG2-CB 3.82Å; V28-E61 HydrophobicContact CG2-CG 4.28Å; S58-E61 WeakPolarHBondContact O-CB 3.42Å; S58-E61 WeakPolarHBondContact O-CG 3.47Å; S58-E61 PolarHBondContact O-N 3.37Å; L59-E61 PolarHBondContact O-N 3.22Å
62V93.4Very high97.2Very high14 Ų1443.6 Ų43.69%0.08524%0.238CC..SBendtrans-125.7143.1-179.2-68.50000110.8K31 L50 L53 L59 S60 G64K31-V62 HydrophobicContact CB-CG1 4.17Å; K31-V62 HydrophobicContact CG-CG1 3.77Å; L50-V62 HydrophobicContact CD2-CG2 3.55Å; L53-V62 HydrophobicContact CD1-CG1 3.87Å; L53-V62 HydrophobicContact CD1-CG2 4.18Å; L59-V62 HydrophobicContact CD1-CG2 4.45Å; L59-V62 WeakPolarHBondContact O-CG2 3.45Å; S60-V62 PolarHBondContact O-N 3.17Å; V62-G64 PolarHBondContact O-N 3.42Å; V62-G64 VanDerWaalsContact O-N 3.08Å
63D95.3Very high97.2Very high91 Ų9146.7 Ų46.749%0.48726%0.259SS..  trans-68.8106.2178.4-170.5-30.3000110.3D65 E66 I67D63-D65 VanDerWaalsContact C-N 3.33Å; D63-D65 PolarHBondContact OD1-N 2.9Å; D63-E66 HydrophobicContact CB-CB 3.92Å; D63-E66 PolarHBondContact OD1-N 3.49Å; D63-E66 VanDerWaalsContact OD1-N 3.1Å; D63-I67 WeakPolarHBondContact O-CG1 3.35Å; D63-I67 PolarHBondContact O-N 3.43Å; D63-I67 VanDerWaalsContact O-N 3.17Å
64G96.2Very high97.1Very high15 Ų1546.7 Ų46.716%0.15526%0.259CS..Hα-helixtrans-66.4-33.1-179.600000113.4V62 I67 V68 Y104V62-G64 PolarHBondContact O-N 3.42Å; V62-G64 VanDerWaalsContact O-N 3.08Å; G64-I67 PolarHBondContact O-N 3.48Å; G64-V68 WeakPolarHBondContact O-CB 3.48Å; G64-V68 WeakPolarHBondContact O-CG2 3.41Å; G64-V68 PolarHBondContact O-N 3.29Å; G64-Y104 VanDerWaalsContact CA-CE1 3.47Å
65D97.4Very high97.1Very high113 Ų11348.9 Ų48.960%0.60427%0.269SS*.Hα-helixtrans-70.1-43.5179.5-73.5-34.2000110.1D63 I67 V68 D69D63-D65 VanDerWaalsContact C-N 3.33Å; D63-D65 PolarHBondContact OD1-N 2.9Å; D65-I67 VanDerWaalsContact C-N 3.31Å; D65-I67 PolarHBondContact O-N 3.49Å; D65-V68 PolarHBondContact O-N 3.02Å; D65-D69 WeakPolarHBondContact O-CB 3.4Å; D65-D69 PolarHBondContact O-N 3.14Å
66E96.5Very high97.1Very high107 Ų10751.9 Ų51.950%0.528%0.282SS..Hα-helixtrans-58.3-43.6174.1-170.2-155.5122.500111.6K31 D63 F70K31-E66 IonicContact NZ-OE1 3.18Å; K31-E66 PolarHBondContact NZ-OE1 3.4Å; D63-E66 HydrophobicContact CB-CB 3.92Å; D63-E66 PolarHBondContact OD1-N 3.49Å; D63-E66 VanDerWaalsContact OD1-N 3.1Å; E66-F70 WeakPolarHBondContact O-CB 3.26Å; E66-F70 PolarHBondContact O-N 3.43Å
67I96.8Very high96.9Very high1 Ų161.5 Ų61.51%0.00532%0.323CS..Hα-helixtrans-63.2-49.1176.9-71.8-62.2000111.1K31 I46 L50 D63 G64 D65 D69 F70 V71 I100 Y104K31-I67 HydrophobicContact CD-CD1 3.98Å; K31-I67 VanDerWaalsContact CE-CD1 3.43Å; I46-I67 HydrophobicContact CG2-CD1 3.91Å; I46-I67 HydrophobicContact CG2-CG2 4.28Å; L50-I67 HydrophobicContact CD1-CG2 3.8Å; D63-I67 WeakPolarHBondContact O-CG1 3.35Å; D63-I67 PolarHBondContact O-N 3.43Å; D63-I67 VanDerWaalsContact O-N 3.17Å; G64-I67 PolarHBondContact O-N 3.48Å; D65-I67 VanDerWaalsContact C-N 3.31Å; D65-I67 PolarHBondContact O-N 3.49Å; I67-D69 VanDerWaalsContact C-N 3.32Å; I67-D69 PolarHBondContact O-N 2.94Å; I67-F70 PolarHBondContact O-N 3.17Å; I67-V71 HydrophobicContact CG2-CG2 4.32Å; I67-V71 VanDerWaalsContact O-CG2 3.3Å; I67-V71 WeakPolarHBondContact O-CG2 3.34Å; I67-V71 PolarHBondContact O-N 2.94Å; I67-I100 HydrophobicContact CG2-CG2 3.56Å; I67-Y104 HydrophobicContact CB-CE2 4.25Å; I67-Y104 HydrophobicContact CG2-CD2 4.31Å; I67-Y104 HydrophobicContact CG2-CE2 3.76Å
68V98.5Very high96.9Very high1 Ų159.1 Ų59.11%0.00632%0.315CS..Hα-helixtrans-61.5-43.2-178.3168.60000110.4G64 D65 F70 V71 L72 L101 Y104 C106 K109G64-V68 WeakPolarHBondContact O-CB 3.48Å; G64-V68 WeakPolarHBondContact O-CG2 3.41Å; G64-V68 PolarHBondContact O-N 3.29Å; D65-V68 PolarHBondContact O-N 3.02Å; V68-F70 PolarHBondContact O-N 3.2Å; V68-V71 PolarHBondContact O-N 3.08Å; V68-L72 HydrophobicContact CG1-CD1 3.8Å; V68-L72 HydrophobicContact CG1-CG 4.34Å; V68-L72 WeakPolarHBondContact O-CB 3.35Å; V68-L72 VanDerWaalsContact O-CG 3.26Å; V68-L72 WeakPolarHBondContact O-CG 3.37Å; V68-L72 PolarHBondContact O-N 2.65Å; V68-L101 HydrophobicContact CG1-CD2 3.98Å; V68-L101 HydrophobicContact CG2-CD2 4.27Å; V68-Y104 HydrophobicContact CG2-CD2 4.15Å; V68-Y104 HydrophobicContact CG2-CG 4.13Å; V68-C106 HydrophobicContact CG1-CB 4.19Å; V68-C106 HydrophobicContact CG2-CB 4.23Å; V68-K109 HydrophobicContact CG1-CD 3.89Å
69D98.2Very high96.8Very high102 Ų10258.5 Ų58.555%0.54531%0.31SS..Hα-helixtrans-62.7-42.7176.8-76.5-9.1000112D65 I67 L72 S73D65-D69 WeakPolarHBondContact O-CB 3.4Å; D65-D69 PolarHBondContact O-N 3.14Å; I67-D69 VanDerWaalsContact C-N 3.32Å; I67-D69 PolarHBondContact O-N 2.94Å; D69-L72 PolarHBondContact O-N 2.79Å; D69-S73 WeakPolarHBondContact O-CB 3.45Å; D69-S73 PolarHBondContact O-N 2.91Å
70F96.6Very high96.9Very high38 Ų3857.3 Ų57.317%0.16730%0.304CS..Hα-helixtrans-60.3-46.7173.5175.5-93.1000111.7R42 M43 I46 E66 I67 V68 L72 S73 C74 P85R42-F70 HydrophobicContact CG-CE1 4.33Å; R42-F70 HydrophobicContact CG-CZ 3.98Å; M43-F70 HydrophobicContact CE-CE1 4.32Å; I46-F70 HydrophobicContact CD1-CD1 3.51Å; I46-F70 HydrophobicContact CD1-CE1 3.34Å; I46-F70 HydrophobicContact CD1-CZ 4.24Å; E66-F70 WeakPolarHBondContact O-CB 3.26Å; E66-F70 PolarHBondContact O-N 3.43Å; I67-F70 PolarHBondContact O-N 3.17Å; V68-F70 PolarHBondContact O-N 3.2Å; F70-L72 PolarHBondContact O-N 2.8Å; F70-S73 WeakPolarHBondContact O-CB 3.3Å; F70-S73 PolarHBondContact O-N 3.17Å; F70-S73 PolarHBondContact O-OG 2.97Å; F70-C74 PolarHBondContact O-N 3.12Å; F70-C74 PolarHBondContact O-SG 2.78Å; F70-C74 VanDerWaalsContact O-SG 3.38Å; F70-P85 HydrophobicContact CE2-CG 4.44Å
71V98.3Very high97.1Very high0 Ų052.2 Ų52.20%027%0.269CS..Hα-helixtrans-60.7-47.2-179.7174.90000110.7M43 I67 V68 S73 C74 F81 A97 I100 L101M43-V71 HydrophobicContact CE-CB 4.45Å; M43-V71 HydrophobicContact CE-CG1 4.22Å; M43-V71 HydrophobicContact CE-CG2 4.38Å; M43-V71 HydrophobicContact SD-CB 4.41Å; M43-V71 HydrophobicContact SD-CG1 4.13Å; M43-V71 HydrophobicContact SD-CG2 3.82Å; I67-V71 HydrophobicContact CG2-CG2 4.32Å; I67-V71 VanDerWaalsContact O-CG2 3.3Å; I67-V71 WeakPolarHBondContact O-CG2 3.34Å; I67-V71 PolarHBondContact O-N 2.94Å; V68-V71 PolarHBondContact O-N 3.08Å; V71-S73 VanDerWaalsContact C-N 3.29Å; V71-S73 PolarHBondContact O-N 3.27Å; V71-C74 WeakPolarHBondContact O-CB 3.5Å; V71-C74 PolarHBondContact O-N 3.41Å; V71-F81 HydrophobicContact CG1-CD1 4.14Å; V71-F81 HydrophobicContact CG1-CE1 3.91Å; V71-F81 VanDerWaalsContact O-CD1 3.3Å; V71-F81 WeakPolarHBondContact O-CD1 3.21Å; V71-F81 VanDerWaalsContact O-CE1 3.32Å; V71-F81 WeakPolarHBondContact O-CE1 3.43Å; V71-A97 HydrophobicContact CG1-CB 3.64Å; V71-I100 HydrophobicContact CG2-CB 4.26Å; V71-I100 HydrophobicContact CG2-CD1 4.02Å; V71-I100 HydrophobicContact CG2-CG2 3.83Å; V71-L101 HydrophobicContact CB-CD2 4.37Å; V71-L101 HydrophobicContact CG1-CD1 3.88Å; V71-L101 HydrophobicContact CG1-CD2 4.12Å; V71-L101 HydrophobicContact CG1-CG 3.82Å
72L98.3Very high97.2Very high44 Ų4447 Ų4723%0.2324%0.244CC..Hα-helixtrans-63.8-34.3178.6-66.7171.8000112.2V68 D69 F70 C74 Q75 L101 K109V68-L72 HydrophobicContact CG1-CD1 3.8Å; V68-L72 HydrophobicContact CG1-CG 4.34Å; V68-L72 WeakPolarHBondContact O-CB 3.35Å; V68-L72 VanDerWaalsContact O-CG 3.26Å; V68-L72 WeakPolarHBondContact O-CG 3.37Å; V68-L72 PolarHBondContact O-N 2.65Å; D69-L72 PolarHBondContact O-N 2.79Å; F70-L72 PolarHBondContact O-N 2.8Å; L72-C74 PolarHBondContact O-N 3.1Å; L72-Q75 PolarHBondContact O-N 2.96Å; L72-Q75 VanDerWaalsContact O-N 3.11Å; L72-L101 HydrophobicContact CD2-CD1 4.23Å; L72-L101 HydrophobicContact CD2-CD2 4.45Å; L72-K109 HydrophobicContact CD1-CB 3.93Å; L72-K109 HydrophobicContact CD1-CD 3.75Å; L72-K109 HydrophobicContact CD1-CG 4.48Å; L72-K109 HydrophobicContact CD2-CB 4Å
73S97.2Very high97.4Very high64 Ų6447 Ų4745%0.44824%0.244SC..Hα-helixtrans-63.9-17.9174.282.50000113.8D69 F70 V71 P85D69-S73 WeakPolarHBondContact O-CB 3.45Å; D69-S73 PolarHBondContact O-N 2.91Å; F70-S73 WeakPolarHBondContact O-CB 3.3Å; F70-S73 PolarHBondContact O-N 3.17Å; F70-S73 PolarHBondContact O-OG 2.97Å; V71-S73 VanDerWaalsContact C-N 3.29Å; V71-S73 PolarHBondContact O-N 3.27Å; S73-P85 WeakPolarHBondContact OG-CG 3.42Å
74C98.1Very high97.4Very high0 Ų043.2 Ų43.20%023%0.225CC..THydrogen-bonded Turntrans-90.2-7.2177.1-63.30000113.7M43 F70 V71 L72 K76 F81 A82 P85M43-C74 HydrophobicContact CE-CB 3.46Å; M43-C74 VanDerWaalsContact CE-CB 3.46Å; F70-C74 PolarHBondContact O-N 3.12Å; F70-C74 PolarHBondContact O-SG 2.78Å; F70-C74 VanDerWaalsContact O-SG 3.38Å; V71-C74 WeakPolarHBondContact O-CB 3.5Å; V71-C74 PolarHBondContact O-N 3.41Å; L72-C74 PolarHBondContact O-N 3.1Å; C74-K76 PolarHBondContact O-N 3.47Å; C74-F81 HydrophobicContact CB-CD1 4.37Å; C74-F81 WeakPolarHBondContact O-CA 3.36Å; C74-A82 WeakPolarHBondContact CB-O 3.48Å; C74-A82 PolarHBondContact O-N 2.88Å; C74-P85 VanDerWaalsContact SG-CD 3.53Å
75Q98.2Very high97.2Very high47 Ų4744.8 Ų44.822%0.2223%0.233CC..BIsolated β-bridgetrans-69.5124.8176.2-162.5171.719.500110.3L72 G79 F81L72-Q75 PolarHBondContact O-N 2.96Å; L72-Q75 VanDerWaalsContact O-N 3.11Å; Q75-G79 PolarHBondContact NE2-O 3.5Å; Q75-F81 HydrophobicContact CB-CD1 3.93Å; Q75-F81 HydrophobicContact CB-CE1 3.59Å; Q75-F81 HydrophobicContact CB-CE2 4.29Å; Q75-F81 HydrophobicContact CB-CG 4.43Å; Q75-F81 HydrophobicContact CB-CZ 3.79Å; Q75-F81 HydrophobicContact CG-CD1 4.44Å; Q75-F81 HydrophobicContact CG-CD2 4.24Å; Q75-F81 HydrophobicContact CG-CE1 4.07Å; Q75-F81 HydrophobicContact CG-CE2 3.83Å; Q75-F81 HydrophobicContact CG-CZ 3.74Å
76K97.6Very high96.8Very high64 Ų6449 Ų4928%0.27825%0.245SC..  trans-93.5163.5-179.5-52-57.1-71.7-145.90110.7C74 C78 G79 G80 A82 P85 H87 A89C74-K76 PolarHBondContact O-N 3.47Å; K76-C78 PolarHBondContact O-N 3.06Å; K76-C78 VanDerWaalsContact O-N 3.11Å; K76-G79 PolarHBondContact O-N 3.26Å; K76-G80 PolarHBondContact N-O 2.84Å; K76-A82 HydrophobicContact CD-CB 3.98Å; K76-A82 HydrophobicContact CG-CB 4.18Å; K76-P85 PolarHBondContact NZ-O 3.12Å; K76-H87 WeakPolarHBondContact CE-O 3.32Å; K76-H87 PolarHBondContact NZ-O 2.87Å; K76-A89 HydrophobicContact CB-CB 4.18Å; K76-A89 HydrophobicContact CG-CB 3.8Å
77K95.5Very high96.7Very high220 Ų22047.2 Ų47.296%0.95724%0.237SC*.THydrogen-bonded Turntrans-58-26.5178-67-174.9179.3-179.10114G79K77-G79 PolarHBondContact O-N 3.08Å
78C96.1Very high96.7Very high66 Ų6651.8 Ų51.845%0.44626%0.262SS..THydrogen-bonded Turntrans-73.5-11.2175.758.40000113.3K76 F118K76-C78 PolarHBondContact O-N 3.06Å; K76-C78 VanDerWaalsContact O-N 3.11Å; C78-F118 HydrophobicContact CB-CD2 4.21Å; C78-F118 WeakPolarHBondContact O-CB 3.44Å
79G97.7Very high96.7Very high0 Ų052.2 Ų52.20%027%0.265CS..SBendtrans104.3-33.2-179.500000114.4Q75 K76 K77 A114 V115Q75-G79 PolarHBondContact NE2-O 3.5Å; K76-G79 PolarHBondContact O-N 3.26Å; K77-G79 PolarHBondContact O-N 3.08Å; G79-A114 VanDerWaalsContact CA-CB 3.49Å; G79-A114 WeakPolarHBondContact CA-O 3.26Å; G79-V115 VanDerWaalsContact O-CG2 3.32Å; G79-V115 WeakPolarHBondContact O-CG2 3.39Å
80G98.5Very high96.7Very high0 Ų048.8 Ų48.80%025%0.246CC..PPolyproline II helixtrans-69.5162.1176.500000113.4K76K76-G80 PolarHBondContact N-O 2.84Å
81F98.7Very high96.8Very high0 Ų047 Ų470%024%0.238CC..BIsolated β-bridgetrans-102.8139.5177.5-68.2-109.5000110.9V71 C74 Q75 A89 H90 S93 T94 A97 I98 L101 V110 V115V71-F81 HydrophobicContact CG1-CD1 4.14Å; V71-F81 HydrophobicContact CG1-CE1 3.91Å; V71-F81 VanDerWaalsContact O-CD1 3.3Å; V71-F81 WeakPolarHBondContact O-CD1 3.21Å; V71-F81 VanDerWaalsContact O-CE1 3.32Å; V71-F81 WeakPolarHBondContact O-CE1 3.43Å; C74-F81 HydrophobicContact CB-CD1 4.37Å; C74-F81 WeakPolarHBondContact O-CA 3.36Å; Q75-F81 HydrophobicContact CB-CD1 3.93Å; Q75-F81 HydrophobicContact CB-CE1 3.59Å; Q75-F81 HydrophobicContact CB-CE2 4.29Å; Q75-F81 HydrophobicContact CB-CG 4.43Å; Q75-F81 HydrophobicContact CB-CZ 3.79Å; Q75-F81 HydrophobicContact CG-CD1 4.44Å; Q75-F81 HydrophobicContact CG-CD2 4.24Å; Q75-F81 HydrophobicContact CG-CE1 4.07Å; Q75-F81 HydrophobicContact CG-CE2 3.83Å; Q75-F81 HydrophobicContact CG-CZ 3.74Å; F81-A89 WeakPolarHBondContact O-CA 3.47Å; F81-H90 PolarHBondContact O-N 2.65Å; F81-S93 WeakPolarHBondContact O-CB 3.36Å; F81-S93 PolarHBondContact O-OG 3.17Å; F81-T94 HydrophobicContact CD2-CG2 4.28Å; F81-T94 PolarHBondContact N-OG1 2.96Å; F81-A97 HydrophobicContact CB-CB 3.73Å; F81-A97 HydrophobicContact CD1-CB 3.48Å; F81-A97 VanDerWaalsContact CD1-CB 3.48Å; F81-A97 HydrophobicContact CD2-CB 3.96Å; F81-A97 HydrophobicContact CE1-CB 4.03Å; F81-A97 HydrophobicContact CE2-CB 4.46Å; F81-A97 HydrophobicContact CG-CB 3.44Å; F81-A97 VanDerWaalsContact CG-CB 3.44Å; F81-A97 HydrophobicContact CZ-CB 4.49Å; F81-I98 HydrophobicContact CE2-CD1 4.06Å; F81-L101 HydrophobicContact CE1-CD1 4.41Å; F81-L101 HydrophobicContact CZ-CD1 4.19Å; F81-V110 HydrophobicContact CE2-CG1 4.27Å; F81-V110 HydrophobicContact CZ-CG1 4.31Å; F81-V110 HydrophobicContact CZ-CG2 4.46Å; F81-V115 HydrophobicContact CE2-CG2 4.1Å
82A98.1Very high96.8Very high0 Ų049.9 Ų49.90%025%0.253CS..PPolyproline II helixtrans-84.1159.4170.800000111.3M43 C74 K76 C84 H87 D88M43-A82 WeakPolarHBondContact CE-O 3.43Å; C74-A82 WeakPolarHBondContact CB-O 3.48Å; C74-A82 PolarHBondContact O-N 2.88Å; K76-A82 HydrophobicContact CD-CB 3.98Å; K76-A82 HydrophobicContact CG-CB 4.18Å; A82-C84 VanDerWaalsContact CB-O 3.32Å; A82-C84 WeakPolarHBondContact CB-O 3.41Å; A82-C84 PolarHBondContact O-N 3.24Å; A82-H87 HydrophobicContact CB-CB 4.17Å; A82-H87 VanDerWaalsContact CB-O 3.27Å; A82-H87 WeakPolarHBondContact CB-O 3.37Å; A82-D88 WeakPolarHBondContact CA-O 3.2Å; A82-D88 VanDerWaalsContact CB-O 3.32Å; A82-D88 WeakPolarHBondContact CB-O 3.28Å
83P96.9Very high96.8Very high13 Ų1348 Ų488%0.08424%0.243CC..SBendtrans-67.9-25.2173.928.6-36.4000113D39 Y40 R42 M43 H87 D88D39-P83 WeakPolarHBondContact O-CB 3.49Å; Y40-P83 WeakPolarHBondContact O-CB 3.36Å; Y40-P83 WeakPolarHBondContact O-CG 3.32Å; R42-P83 WeakPolarHBondContact CB-O 3.29Å; M43-P83 PolarHBondContact N-O 2.95Å; P83-H87 HydrophobicContact CG-CB 3.82Å; P83-D88 WeakPolarHBondContact CD-O 3.21Å
84C95Very high96.9Very high12 Ų1244.9 Ų44.98%0.08122%0.222CC..SBendtrans-154.1152.3176.1-177.10000108.3D39 A82 K86 H87D39-C84 HydrophobicContact CB-CB 4.06Å; D39-C84 WeakPolarHBondContact O-CB 3.45Å; D39-C84 PolarHBondContact OD1-SG 3.32Å; A82-C84 VanDerWaalsContact CB-O 3.32Å; A82-C84 WeakPolarHBondContact CB-O 3.41Å; A82-C84 PolarHBondContact O-N 3.24Å; C84-K86 PolarHBondContact O-N 3.39Å; C84-H87 WeakPolarHBondContact O-CB 3.25Å; C84-H87 PolarHBondContact O-N 2.91Å
85P92.7Very high96.9Very high48 Ų4845.3 Ų45.331%0.31222%0.224SC..THydrogen-bonded Turntrans-55.5-30.2-165.5-32.438.9000116.6F70 S73 C74 K76F70-P85 HydrophobicContact CE2-CG 4.44Å; S73-P85 WeakPolarHBondContact OG-CG 3.42Å; C74-P85 VanDerWaalsContact SG-CD 3.53Å; K76-P85 PolarHBondContact NZ-O 3.12Å
86K89.5Confident97Very high201 Ų20143.5 Ų43.587%0.87422%0.217SC*.THydrogen-bonded Turntrans-82.5-8.9-179.4-66.6-177.2-178.4174.80114.4C84C84-K86 PolarHBondContact O-N 3.39Å
87H94.5Very high97Very high70 Ų7040.4 Ų40.432%0.32420%0.203SC..SBendtrans-91170.3-178.2-69.1-107.6000111.8K76 A82 P83 C84K76-H87 WeakPolarHBondContact CE-O 3.32Å; K76-H87 PolarHBondContact NZ-O 2.87Å; A82-H87 HydrophobicContact CB-CB 4.17Å; A82-H87 VanDerWaalsContact CB-O 3.27Å; A82-H87 WeakPolarHBondContact CB-O 3.37Å; P83-H87 HydrophobicContact CG-CB 3.82Å; C84-H87 WeakPolarHBondContact O-CB 3.25Å; C84-H87 PolarHBondContact O-N 2.91Å
88D96.3Very high97.2Very high98 Ų9830 Ų3052%0.52416%0.158SC..PPolyproline II helixtrans-78.6155.8172.6-65.7-36.5000111.4A82 P83A82-D88 WeakPolarHBondContact CA-O 3.2Å; A82-D88 VanDerWaalsContact CB-O 3.32Å; A82-D88 WeakPolarHBondContact CB-O 3.28Å; P83-D88 WeakPolarHBondContact CD-O 3.21Å
89A98.1Very high97.3Very high10 Ų1027.1 Ų27.18%0.08314%0.138CC..PPolyproline II helixtrans-73.5142.6176.100000111.1K76 F81 F118K76-A89 HydrophobicContact CB-CB 4.18Å; K76-A89 HydrophobicContact CG-CB 3.8Å; F81-A89 WeakPolarHBondContact O-CA 3.47Å; A89-F118 HydrophobicContact CB-CE2 4.01Å; A89-F118 HydrophobicContact CB-CZ 3.98Å
90H98.6Very high97.4Very high30 Ų3027.1 Ų27.114%0.13914%0.138CC..  trans-143.8152.3178.7-169.9-90.1000110.4F81 L92 S93 T94 G131 D132 F141F81-H90 PolarHBondContact O-N 2.65Å; H90-L92 VanDerWaalsContact C-N 3.3Å; H90-L92 VanDerWaalsContact CE1-CG 3.48Å; H90-L92 WeakPolarHBondContact CE1-CG 3.48Å; H90-L92 WeakPolarHBondContact ND1-CB 3.35Å; H90-L92 WeakPolarHBondContact ND1-CG 3.38Å; H90-L92 PolarHBondContact ND1-N 3.39Å; H90-L92 VanDerWaalsContact ND1-N 3.11Å; H90-L92 PolarHBondContact O-N 3.31Å; H90-S93 PolarHBondContact O-N 3.12Å; H90-S93 PolarHBondContact O-OG 3.07Å; H90-S93 VanDerWaalsContact O-OG 3.08Å; H90-T94 WeakPolarHBondContact O-CB 3.44Å; H90-T94 PolarHBondContact O-N 3.44Å; H90-T94 PolarHBondContact O-OG1 2.87Å; H90-G131 WeakPolarHBondContact CA-O 3.48Å; H90-G131 VanDerWaalsContact CD2-C 3.46Å; H90-G131 PolarHBondContact CD2-O 3.49Å; H90-G131 WeakPolarHBondContact NE2-CA 3.36Å; H90-D132 IonicContact CD2-OD2 3.36Å; H90-D132 PolarHBondContact CD2-OD2 2.94Å; H90-F141 AromaticContact CE1-CD1 3.88Å; H90-F141 AromaticContact CE1-CE1 3.37Å; H90-F141 WeakPolarHBondContact CE1-CE1 3.37Å; H90-F141 AromaticContact CE1-CZ 3.88Å; H90-F141 AromaticContact NE2-CE1 3.82Å; H90-F141 AromaticContact NE2-CZ 3.86Å
91L98.8Very high97.4Very high0 Ų027.1 Ų27.10%014%0.138CC..Hα-helixtrans-61.8-35.8-179.7-80.9175.9000113.3T94 L95 F118 V119 L122 F129 A130 G131 F141 C144 A145L91-T94 PolarHBondContact O-N 3.46Å; L91-L95 PolarHBondContact O-N 3.4Å; L91-F118 HydrophobicContact CD2-CD1 4.37Å; L91-F118 HydrophobicContact CD2-CE1 3.98Å; L91-F118 HydrophobicContact CG-CE1 4.31Å; L91-V119 HydrophobicContact CD2-CG2 3.92Å; L91-L122 HydrophobicContact CD1-CB 4.48Å; L91-L122 HydrophobicContact CD1-CD1 3.93Å; L91-L122 HydrophobicContact CD2-CD1 4.07Å; L91-L122 HydrophobicContact CG-CD1 3.67Å; L91-F129 HydrophobicContact CD1-CB 4.12Å; L91-A130 WeakPolarHBondContact CD1-O 3.32Å; L91-G131 PolarHBondContact N-O 3.5Å; L91-F141 HydrophobicContact CD1-CB 3.95Å; L91-C144 HydrophobicContact CB-CB 3.93Å; L91-A145 HydrophobicContact CD1-CB 4.23Å; L91-A145 HydrophobicContact CD2-CB 4.4Å
92L98.6Very high97.4Very high60 Ų6027.1 Ų27.131%0.31414%0.138SC..Hα-helixtrans-58.8-54176.1-66.3170.3000111.7H90 T94 L95 S96 R140 F141H90-L92 VanDerWaalsContact C-N 3.3Å; H90-L92 VanDerWaalsContact CE1-CG 3.48Å; H90-L92 WeakPolarHBondContact CE1-CG 3.48Å; H90-L92 WeakPolarHBondContact ND1-CB 3.35Å; H90-L92 WeakPolarHBondContact ND1-CG 3.38Å; H90-L92 PolarHBondContact ND1-N 3.39Å; H90-L92 VanDerWaalsContact ND1-N 3.11Å; H90-L92 PolarHBondContact O-N 3.31Å; L92-T94 VanDerWaalsContact C-N 3.31Å; L92-T94 PolarHBondContact O-N 2.88Å; L92-L95 PolarHBondContact O-N 2.91Å; L92-S96 PolarHBondContact O-N 3.11Å; L92-S96 VanDerWaalsContact O-N 3.12Å; L92-S96 PolarHBondContact O-OG 3.03Å; L92-R140 HydrophobicContact CD2-CB 4.45Å; L92-F141 HydrophobicContact CD1-CE1 4.15Å; L92-F141 HydrophobicContact CG-CD1 4.4Å; L92-F141 HydrophobicContact CG-CE1 4.15Å
93S98.7Very high97.4Very high4 Ų427.6 Ų27.63%0.02814%0.14CC..Hα-helixtrans-69.2-30.3178.444.60000112.3M43 F81 H90 S96 A97M43-S93 WeakPolarHBondContact CG-O 3.14Å; F81-S93 WeakPolarHBondContact O-CB 3.36Å; F81-S93 PolarHBondContact O-OG 3.17Å; H90-S93 PolarHBondContact O-N 3.12Å; H90-S93 PolarHBondContact O-OG 3.07Å; H90-S93 VanDerWaalsContact O-OG 3.08Å; S93-S96 PolarHBondContact O-N 3.23Å; S93-A97 VanDerWaalsContact O-CB 3.26Å; S93-A97 WeakPolarHBondContact O-CB 3.4Å; S93-A97 PolarHBondContact O-N 3.04Å
94T98.9Very high97.5Very high0 Ų029.2 Ų29.20%015%0.145CC..Hα-helixtrans-62.4-48.4172.9-58.20000111.5F81 H90 L91 L92 A97 I98 V115 T148F81-T94 HydrophobicContact CD2-CG2 4.28Å; F81-T94 PolarHBondContact N-OG1 2.96Å; H90-T94 WeakPolarHBondContact O-CB 3.44Å; H90-T94 PolarHBondContact O-N 3.44Å; H90-T94 PolarHBondContact O-OG1 2.87Å; L91-T94 PolarHBondContact O-N 3.46Å; L92-T94 VanDerWaalsContact C-N 3.31Å; L92-T94 PolarHBondContact O-N 2.88Å; T94-A97 PolarHBondContact O-N 3.18Å; T94-I98 WeakPolarHBondContact O-CG1 3.21Å; T94-I98 PolarHBondContact O-N 3.16Å; T94-V115 HydrophobicContact CG2-CG1 4.17Å; T94-T148 HydrophobicContact CG2-CG2 3.99Å
95L98.9Very high97.6Very high9 Ų933.6 Ų33.65%0.04717%0.168CC..Hα-helixtrans-60.7-49.7175.9176.463.5000110.9L91 L92 A97 I98 Q99 F143 C144 A147 I151L91-L95 PolarHBondContact O-N 3.4Å; L92-L95 PolarHBondContact O-N 2.91Å; L95-A97 VanDerWaalsContact C-N 3.31Å; L95-A97 PolarHBondContact O-N 2.86Å; L95-I98 PolarHBondContact O-N 3.41Å; L95-I98 VanDerWaalsContact O-N 3.14Å; L95-Q99 HydrophobicContact CD1-CG 3.98Å; L95-Q99 HydrophobicContact CG-CG 4.22Å; L95-Q99 WeakPolarHBondContact O-CG 3.43Å; L95-Q99 PolarHBondContact O-N 3.34Å; L95-F143 HydrophobicContact CD2-CD1 4.17Å; L95-F143 HydrophobicContact CD2-CE1 3.81Å; L95-C144 HydrophobicContact CB-CB 4.06Å; L95-C144 HydrophobicContact CD2-CB 4.32Å; L95-A147 HydrophobicContact CD1-CB 3.63Å; L95-A147 HydrophobicContact CD2-CB 4.18Å; L95-I151 HydrophobicContact CD1-CD1 4.03Å
96S98.9Very high97.9Very high8 Ų832.1 Ų32.16%0.05616%0.158CC..Hα-helixtrans-57.5-43.9179.8-63.70000112.1S44 L92 S93 I98 Q99 I100S44-S96 WeakPolarHBondContact CA-OG 3.48Å; S44-S96 PolarHBondContact OG-OG 3.22Å; L92-S96 PolarHBondContact O-N 3.11Å; L92-S96 VanDerWaalsContact O-N 3.12Å; L92-S96 PolarHBondContact O-OG 3.03Å; S93-S96 PolarHBondContact O-N 3.23Å; S96-I98 PolarHBondContact O-N 3.08Å; S96-Q99 PolarHBondContact O-N 2.97Å; S96-I100 WeakPolarHBondContact O-CD1 3.34Å; S96-I100 WeakPolarHBondContact O-CG1 3.48Å; S96-I100 PolarHBondContact O-N 3.3Å
97A98.9Very high98.4Very high0 Ų023.9 Ų23.90%012%0.124CC..Hα-helixtrans-59.3-46.9175.600000112.2M43 V71 F81 S93 T94 L95 Q99 I100 L101M43-A97 HydrophobicContact CE-CB 4.14Å; M43-A97 HydrophobicContact CG-CB 4.17Å; M43-A97 HydrophobicContact SD-CB 3.81Å; V71-A97 HydrophobicContact CG1-CB 3.64Å; F81-A97 HydrophobicContact CB-CB 3.73Å; F81-A97 HydrophobicContact CD1-CB 3.48Å; F81-A97 VanDerWaalsContact CD1-CB 3.48Å; F81-A97 HydrophobicContact CD2-CB 3.96Å; F81-A97 HydrophobicContact CE1-CB 4.03Å; F81-A97 HydrophobicContact CE2-CB 4.46Å; F81-A97 HydrophobicContact CG-CB 3.44Å; F81-A97 VanDerWaalsContact CG-CB 3.44Å; F81-A97 HydrophobicContact CZ-CB 4.49Å; S93-A97 VanDerWaalsContact O-CB 3.26Å; S93-A97 WeakPolarHBondContact O-CB 3.4Å; S93-A97 PolarHBondContact O-N 3.04Å; T94-A97 PolarHBondContact O-N 3.18Å; L95-A97 VanDerWaalsContact C-N 3.31Å; L95-A97 PolarHBondContact O-N 2.86Å; A97-Q99 VanDerWaalsContact C-N 3.35Å; A97-Q99 PolarHBondContact O-N 3.47Å; A97-I100 PolarHBondContact O-N 2.96Å; A97-L101 WeakPolarHBondContact O-CG 3.16Å; A97-L101 PolarHBondContact O-N 3.48Å
98I98.9Very high98.5Very high0 Ų026.9 Ų26.90%014%0.142CC..Hα-helixtrans-65.3-37.6178.4-67.4-47.8000111.7F81 T94 L95 S96 L101 A102 L107 V110 T148 I151 L152F81-I98 HydrophobicContact CE2-CD1 4.06Å; T94-I98 WeakPolarHBondContact O-CG1 3.21Å; T94-I98 PolarHBondContact O-N 3.16Å; L95-I98 PolarHBondContact O-N 3.41Å; L95-I98 VanDerWaalsContact O-N 3.14Å; S96-I98 PolarHBondContact O-N 3.08Å; I98-L101 PolarHBondContact O-N 3.23Å; I98-A102 WeakPolarHBondContact O-CB 3.43Å; I98-A102 PolarHBondContact O-N 3.39Å; I98-L107 HydrophobicContact CG2-CD2 4.03Å; I98-V110 HydrophobicContact CD1-CG1 4.02Å; I98-V110 HydrophobicContact CD1-CG2 3.96Å; I98-T148 HydrophobicContact CG1-CG2 4.02Å; I98-I151 HydrophobicContact CG2-CB 3.86Å; I98-I151 HydrophobicContact CG2-CD1 4.31Å; I98-I151 HydrophobicContact CG2-CG2 3.52Å; I98-L152 HydrophobicContact CD1-CD1 4.37Å; I98-L152 HydrophobicContact CD1-CD2 4.16Å; I98-L152 HydrophobicContact CG1-CD1 4.45Å; I98-L152 HydrophobicContact CG2-CD2 4.26Å; I98-L152 HydrophobicContact CG2-CG 4.15Å
99Q98.9Very high98.6Very high7 Ų726.6 Ų26.63%0.03314%0.136CC..Hα-helixtrans-64.4-41.2174.3-69.5173.7-64.900112.1Y47 L95 S96 A97 A102 M103 I151 L341 M343Y47-Q99 HydrophobicContact CD2-CB 3.68Å; Y47-Q99 HydrophobicContact CD2-CG 4.48Å; Y47-Q99 HydrophobicContact CE2-CB 3.7Å; Y47-Q99 VanDerWaalsContact CE2-CD 3.45Å; Y47-Q99 HydrophobicContact CE2-CG 4.15Å; Y47-Q99 VanDerWaalsContact CZ-NE2 3.32Å; Y47-Q99 PolarHBondContact OH-NE2 2.83Å; Y47-Q99 VanDerWaalsContact OH-NE2 3.11Å; L95-Q99 HydrophobicContact CD1-CG 3.98Å; L95-Q99 HydrophobicContact CG-CG 4.22Å; L95-Q99 WeakPolarHBondContact O-CG 3.43Å; L95-Q99 PolarHBondContact O-N 3.34Å; S96-Q99 PolarHBondContact O-N 2.97Å; A97-Q99 VanDerWaalsContact C-N 3.35Å; A97-Q99 PolarHBondContact O-N 3.47Å; Q99-A102 WeakPolarHBondContact O-CB 3.46Å; Q99-A102 PolarHBondContact O-N 2.96Å; Q99-M103 PolarHBondContact O-N 2.84Å; Q99-I151 HydrophobicContact CG-CD1 3.83Å; Q99-L341 PolarHBondContact NE2-O 3.33Å; Q99-M343 HydrophobicContact CB-CE 4.3Å; Q99-M343 HydrophobicContact CB-SD 4.09Å; Q99-M343 HydrophobicContact CG-SD 3.85Å; Q99-M343 WeakPolarHBondContact O-CE 3.34Å
100I98.8Very high98.6Very high0 Ų026.7 Ų26.70%014%0.136CC..Hα-helixtrans-64.3-48176.4-64.7159.7000110.5M43 I46 L50 I67 V71 S96 A97 A102 M103 Y104M43-I100 HydrophobicContact SD-CD1 3.82Å; I46-I100 HydrophobicContact CB-CD1 4.15Å; I46-I100 HydrophobicContact CG2-CD1 3.69Å; I46-I100 HydrophobicContact CG2-CG1 4.44Å; L50-I100 HydrophobicContact CD1-CG1 4.04Å; L50-I100 HydrophobicContact CD1-CG2 3.76Å; I67-I100 HydrophobicContact CG2-CG2 3.56Å; V71-I100 HydrophobicContact CG2-CB 4.26Å; V71-I100 HydrophobicContact CG2-CD1 4.02Å; V71-I100 HydrophobicContact CG2-CG2 3.83Å; S96-I100 WeakPolarHBondContact O-CD1 3.34Å; S96-I100 WeakPolarHBondContact O-CG1 3.48Å; S96-I100 PolarHBondContact O-N 3.3Å; A97-I100 PolarHBondContact O-N 2.96Å; I100-A102 VanDerWaalsContact C-N 3.28Å; I100-A102 PolarHBondContact O-N 3.14Å; I100-M103 WeakPolarHBondContact O-CB 3.21Å; I100-M103 PolarHBondContact O-N 3.24Å; I100-M103 VanDerWaalsContact O-N 3.11Å; I100-Y104 HydrophobicContact CG2-CD2 4.03Å; I100-Y104 HydrophobicContact CG2-CE2 4.2Å; I100-Y104 WeakPolarHBondContact O-CD2 3.41Å; I100-Y104 PolarHBondContact O-N 2.95Å; I100-Y104 VanDerWaalsContact O-N 3.13Å
101L98.9Very high98.4Very high0 Ų029.1 Ų29.10%015%0.15CC..Hα-helixtrans-65.6-33.4178.8-67173.4000111.9V68 V71 L72 F81 A97 I98 D105 C106 L107 V110V68-L101 HydrophobicContact CG1-CD2 3.98Å; V68-L101 HydrophobicContact CG2-CD2 4.27Å; V71-L101 HydrophobicContact CB-CD2 4.37Å; V71-L101 HydrophobicContact CG1-CD1 3.88Å; V71-L101 HydrophobicContact CG1-CD2 4.12Å; V71-L101 HydrophobicContact CG1-CG 3.82Å; L72-L101 HydrophobicContact CD2-CD1 4.23Å; L72-L101 HydrophobicContact CD2-CD2 4.45Å; F81-L101 HydrophobicContact CE1-CD1 4.41Å; F81-L101 HydrophobicContact CZ-CD1 4.19Å; A97-L101 WeakPolarHBondContact O-CG 3.16Å; A97-L101 PolarHBondContact O-N 3.48Å; I98-L101 PolarHBondContact O-N 3.23Å; L101-D105 PolarHBondContact O-N 3.48Å; L101-C106 HydrophobicContact CD2-CB 4.01Å; L101-C106 PolarHBondContact O-N 2.84Å; L101-L107 HydrophobicContact CB-CD2 3.9Å; L101-V110 HydrophobicContact CD1-CG2 3.29Å
102A98.8Very high98.4Very high0 Ų030.4 Ų30.40%016%0.158CC..Hα-helixtrans-61.8-46.217000000111.4I98 Q99 I100 Y104 D105 L107 I151 M343 R350 L351I98-A102 WeakPolarHBondContact O-CB 3.43Å; I98-A102 PolarHBondContact O-N 3.39Å; Q99-A102 WeakPolarHBondContact O-CB 3.46Å; Q99-A102 PolarHBondContact O-N 2.96Å; I100-A102 VanDerWaalsContact C-N 3.28Å; I100-A102 PolarHBondContact O-N 3.14Å; A102-Y104 VanDerWaalsContact C-N 3.33Å; A102-Y104 PolarHBondContact O-N 3.29Å; A102-D105 PolarHBondContact O-N 3.41Å; A102-D105 VanDerWaalsContact O-N 3.11Å; A102-L107 HydrophobicContact CB-CD1 4.08Å; A102-L107 HydrophobicContact CB-CD2 4.19Å; A102-L107 HydrophobicContact CB-CG 4.24Å; A102-I151 HydrophobicContact CB-CG2 3.88Å; A102-M343 HydrophobicContact CB-CE 3.88Å; A102-R350 PolarHBondContact O-NH1 3.28Å; A102-R350 PolarHBondContact O-NH2 3.49Å; A102-L351 HydrophobicContact CB-CD1 3.95Å
103M98.5Very high98.4Very high9 Ų934.5 Ų34.54%0.04418%0.175CC..Hα-helixtrans-57.7-42.9179.5-170.8-180-68.100112.5L50 T51 D54 L59 Q99 I100 D105 I347L50-M103 HydrophobicContact CB-CE 4.34Å; L50-M103 HydrophobicContact CB-SD 3.82Å; T51-M103 WeakPolarHBondContact OG1-CE 3.42Å; D54-M103 HydrophobicContact CB-CE 4.46Å; D54-M103 HydrophobicContact CB-SD 4.19Å; L59-M103 HydrophobicContact CD1-SD 3.66Å; L59-M103 HydrophobicContact CD2-CG 3.63Å; L59-M103 HydrophobicContact CD2-SD 3.76Å; L59-M103 HydrophobicContact CG-SD 4.38Å; Q99-M103 PolarHBondContact O-N 2.84Å; I100-M103 WeakPolarHBondContact O-CB 3.21Å; I100-M103 PolarHBondContact O-N 3.24Å; I100-M103 VanDerWaalsContact O-N 3.11Å; M103-D105 VanDerWaalsContact C-N 3.33Å; M103-D105 PolarHBondContact O-N 2.91Å; M103-I347 HydrophobicContact CB-CD1 4.11Å; M103-I347 HydrophobicContact CG-CD1 3.85Å
104Y98.4Very high98.3Very high47 Ų4735.2 Ų35.218%0.18418%0.182CC..THydrogen-bonded Turntrans-88.111.6177.3-71.2-70.7000115L50 L59 G64 I67 V68 I100 A102 C106L50-Y104 HydrophobicContact CD1-CE2 3.97Å; L50-Y104 HydrophobicContact CD2-CE2 4.45Å; L50-Y104 WeakPolarHBondContact CD2-OH 3.16Å; L59-Y104 HydrophobicContact CD2-CE1 4.19Å; L59-Y104 HydrophobicContact CG-CE1 4.23Å; G64-Y104 VanDerWaalsContact CA-CE1 3.47Å; I67-Y104 HydrophobicContact CB-CE2 4.25Å; I67-Y104 HydrophobicContact CG2-CD2 4.31Å; I67-Y104 HydrophobicContact CG2-CE2 3.76Å; V68-Y104 HydrophobicContact CG2-CD2 4.15Å; V68-Y104 HydrophobicContact CG2-CG 4.13Å; I100-Y104 HydrophobicContact CG2-CD2 4.03Å; I100-Y104 HydrophobicContact CG2-CE2 4.2Å; I100-Y104 WeakPolarHBondContact O-CD2 3.41Å; I100-Y104 PolarHBondContact O-N 2.95Å; I100-Y104 VanDerWaalsContact O-N 3.13Å; A102-Y104 VanDerWaalsContact C-N 3.33Å; A102-Y104 PolarHBondContact O-N 3.29Å; Y104-C106 PolarHBondContact O-N 3.39Å; Y104-C106 PolarHBondContact O-SG 3.32Å
105D98.2Very high98.3Very high105 Ų10535.2 Ų35.256%0.56118%0.182SC*.THydrogen-bonded Turntrans53.536.7-179.8-158.736.4000113.8L101 A102 M103 R350L101-D105 PolarHBondContact O-N 3.48Å; A102-D105 PolarHBondContact O-N 3.41Å; A102-D105 VanDerWaalsContact O-N 3.11Å; M103-D105 VanDerWaalsContact C-N 3.33Å; M103-D105 PolarHBondContact O-N 2.91Å; D105-R350 IonicContact OD1-CZ 3.16Å; D105-R350 IonicContact OD1-NH1 3.44Å; D105-R350 PolarHBondContact OD1-NH1 3.41Å
106C98.6Very high98.3Very high17 Ų1735.7 Ų35.712%0.11519%0.185CC..  trans-114.318.6-174.4-77.70000113.2V68 L101 Y104 N108 K109V68-C106 HydrophobicContact CG1-CB 4.19Å; V68-C106 HydrophobicContact CG2-CB 4.23Å; L101-C106 HydrophobicContact CD2-CB 4.01Å; L101-C106 PolarHBondContact O-N 2.84Å; Y104-C106 PolarHBondContact O-N 3.39Å; Y104-C106 PolarHBondContact O-SG 3.32Å; C106-N108 WeakPolarHBondContact CA-OD1 3.2Å; C106-N108 PolarHBondContact O-N 2.96Å; C106-K109 HydrophobicContact CB-CD 4.24Å; C106-K109 HydrophobicContact CB-CG 4.49Å; C106-K109 WeakPolarHBondContact O-CB 3.45Å; C106-K109 PolarHBondContact O-N 3.39Å
107L98.6Very high98.3Very high27 Ų2738.1 Ų38.114%0.14121%0.206CC..G310 helixtrans-60.3-26.4177.7-68.4176.9000112.7I98 L101 A102 K109 V110 I151 L152 L351I98-L107 HydrophobicContact CG2-CD2 4.03Å; L101-L107 HydrophobicContact CB-CD2 3.9Å; A102-L107 HydrophobicContact CB-CD1 4.08Å; A102-L107 HydrophobicContact CB-CD2 4.19Å; A102-L107 HydrophobicContact CB-CG 4.24Å; L107-K109 PolarHBondContact O-N 2.99Å; L107-V110 WeakPolarHBondContact O-CB 3.48Å; L107-V110 WeakPolarHBondContact O-CG2 3.35Å; L107-V110 PolarHBondContact O-N 3.13Å; L107-V110 VanDerWaalsContact O-N 3.1Å; L107-I151 HydrophobicContact CD1-CG2 3.96Å; L107-I151 HydrophobicContact CD2-CG2 4.44Å; L107-L152 HydrophobicContact CD2-CD2 4.05Å; L107-L351 HydrophobicContact CD1-CD1 4.48Å; L107-L351 HydrophobicContact CD1-CD2 3.95Å
108N98Very high98.3Very high134 Ų13438.8 Ų38.872%0.71721%0.209SC*.G310 helixtrans-64.7-14.7174.767.5-56.6000113.9C106 V110C106-N108 WeakPolarHBondContact CA-OD1 3.2Å; C106-N108 PolarHBondContact O-N 2.96Å; N108-V110 VanDerWaalsContact C-N 3.35Å
109K98.1Very high98.3Very high91 Ų9138.8 Ų38.840%0.39621%0.209SC..G310 helixtrans-84.9-8.4175-59.8-174.4-179.1179.70112.8V68 L72 C106 L107V68-K109 HydrophobicContact CG1-CD 3.89Å; L72-K109 HydrophobicContact CD1-CB 3.93Å; L72-K109 HydrophobicContact CD1-CD 3.75Å; L72-K109 HydrophobicContact CD1-CG 4.48Å; L72-K109 HydrophobicContact CD2-CB 4Å; C106-K109 HydrophobicContact CB-CD 4.24Å; C106-K109 HydrophobicContact CB-CG 4.49Å; C106-K109 WeakPolarHBondContact O-CB 3.45Å; C106-K109 PolarHBondContact O-N 3.39Å; L107-K109 PolarHBondContact O-N 2.99Å
110V97.1Very high98.3Very high13 Ų1340.2 Ų40.28%0.07922%0.22CC..SBendtrans-84.3139.2-177.8-177.50000110.6F81 I98 L101 L107 N108 V112 V115F81-V110 HydrophobicContact CE2-CG1 4.27Å; F81-V110 HydrophobicContact CZ-CG1 4.31Å; F81-V110 HydrophobicContact CZ-CG2 4.46Å; I98-V110 HydrophobicContact CD1-CG1 4.02Å; I98-V110 HydrophobicContact CD1-CG2 3.96Å; L101-V110 HydrophobicContact CD1-CG2 3.29Å; L107-V110 WeakPolarHBondContact O-CB 3.48Å; L107-V110 WeakPolarHBondContact O-CG2 3.35Å; L107-V110 PolarHBondContact O-N 3.13Å; L107-V110 VanDerWaalsContact O-N 3.1Å; N108-V110 VanDerWaalsContact C-N 3.35Å; V110-V112 VanDerWaalsContact C-N 3.28Å; V110-V112 HydrophobicContact CB-CG2 4.29Å; V110-V112 HydrophobicContact CG1-CG2 4.42Å; V110-V112 PolarHBondContact O-N 3.11Å; V110-V115 HydrophobicContact CG1-CG2 3.66Å
111N95.8Very high98.3Very high80 Ų8048.7 Ų48.743%0.42826%0.257SS..  trans-72.586.4160.9-174-28000109.7E113 A114 V115N111-E113 VanDerWaalsContact C-N 3.35Å; N111-E113 PolarHBondContact O-N 3.39Å; N111-A114 HydrophobicContact CB-CB 4.14Å; N111-A114 VanDerWaalsContact CG-CB 3.46Å; N111-A114 PolarHBondContact O-N 3.48Å; N111-A114 VanDerWaalsContact OD1-CB 3.24Å; N111-A114 WeakPolarHBondContact OD1-CB 3.16Å; N111-A114 PolarHBondContact OD1-N 3.11Å; N111-V115 WeakPolarHBondContact O-CG2 3.35Å; N111-V115 PolarHBondContact O-N 3.26Å; N111-V115 VanDerWaalsContact O-N 3.15Å
112V97.9Very high98.3Very high28 Ų2849.2 Ų49.217%0.1726%0.259CS..Hα-helixtrans-63.5-40.9-173.3176.20000111.2V110 A114 V115 C116 L152 M154V110-V112 VanDerWaalsContact C-N 3.28Å; V110-V112 HydrophobicContact CB-CG2 4.29Å; V110-V112 HydrophobicContact CG1-CG2 4.42Å; V110-V112 PolarHBondContact O-N 3.11Å; V112-A114 VanDerWaalsContact C-N 3.31Å; V112-A114 PolarHBondContact O-N 2.69Å; V112-V115 PolarHBondContact O-N 3.2Å; V112-C116 PolarHBondContact O-N 3.32Å; V112-C116 PolarHBondContact O-SG 3.17Å; V112-C116 VanDerWaalsContact O-SG 3.35Å; V112-L152 HydrophobicContact CG1-CB 4.47Å; V112-L152 HydrophobicContact CG1-CD1 4.45Å; V112-L152 HydrophobicContact CG2-CD2 4.19Å; V112-M154 HydrophobicContact CG1-CG 3.55Å; V112-M154 HydrophobicContact CG1-SD 4.23Å
113E97.8Very high98.3Very high145 Ų14550.9 Ų50.968%0.67827%0.267SS*.Hα-helixtrans-60.9-41.5179.2-64.876.3-167.500111.4N111 C116 A117N111-E113 VanDerWaalsContact C-N 3.35Å; N111-E113 PolarHBondContact O-N 3.39Å; E113-C116 PolarHBondContact O-N 2.68Å; E113-A117 WeakPolarHBondContact O-CB 3.3Å; E113-A117 PolarHBondContact O-N 2.99Å
114A98.5Very high98.3Very high20 Ų2053.8 Ų53.817%0.16528%0.281CS..Hα-helixtrans-67.6-39.6176.600000111.8G79 N111 V112 C116 A117 F118G79-A114 VanDerWaalsContact CA-CB 3.49Å; G79-A114 WeakPolarHBondContact CA-O 3.26Å; N111-A114 HydrophobicContact CB-CB 4.14Å; N111-A114 VanDerWaalsContact CG-CB 3.46Å; N111-A114 PolarHBondContact O-N 3.48Å; N111-A114 VanDerWaalsContact OD1-CB 3.24Å; N111-A114 WeakPolarHBondContact OD1-CB 3.16Å; N111-A114 PolarHBondContact OD1-N 3.11Å; V112-A114 VanDerWaalsContact C-N 3.31Å; V112-A114 PolarHBondContact O-N 2.69Å; A114-C116 VanDerWaalsContact C-N 3.35Å; A114-A117 PolarHBondContact O-N 3.38Å; A114-F118 WeakPolarHBondContact O-CB 3.48Å; A114-F118 PolarHBondContact O-N 2.93Å
115V98.9Very high98.3Very high0 Ų057.9 Ų57.90%031%0.313CS..Hα-helixtrans-61.5-44.8174.6177.20000110.6G79 F81 T94 V110 N111 V112 A117 F118 V119 T148 L152G79-V115 VanDerWaalsContact O-CG2 3.32Å; G79-V115 WeakPolarHBondContact O-CG2 3.39Å; F81-V115 HydrophobicContact CE2-CG2 4.1Å; T94-V115 HydrophobicContact CG2-CG1 4.17Å; V110-V115 HydrophobicContact CG1-CG2 3.66Å; N111-V115 WeakPolarHBondContact O-CG2 3.35Å; N111-V115 PolarHBondContact O-N 3.26Å; N111-V115 VanDerWaalsContact O-N 3.15Å; V112-V115 PolarHBondContact O-N 3.2Å; V115-A117 PolarHBondContact O-N 2.74Å; V115-F118 WeakPolarHBondContact O-CB 3.46Å; V115-F118 PolarHBondContact O-N 3.16Å; V115-V119 HydrophobicContact CG1-CG2 4.3Å; V115-V119 WeakPolarHBondContact O-CG2 3.23Å; V115-V119 PolarHBondContact O-N 2.9Å; V115-T148 HydrophobicContact CG1-CG2 3.66Å; V115-L152 HydrophobicContact CB-CD1 4.07Å; V115-L152 HydrophobicContact CG1-CD1 3.64Å
116C98.8Very high98.3Very high18 Ų1856.8 Ų56.812%0.12231%0.307CS..Hα-helixtrans-57.3-50.1174.8-70.10000111V112 E113 A114 F118 V119 S120 M154 T159V112-C116 PolarHBondContact O-N 3.32Å; V112-C116 PolarHBondContact O-SG 3.17Å; V112-C116 VanDerWaalsContact O-SG 3.35Å; E113-C116 PolarHBondContact O-N 2.68Å; A114-C116 VanDerWaalsContact C-N 3.35Å; C116-F118 VanDerWaalsContact C-N 3.31Å; C116-F118 PolarHBondContact O-N 2.84Å; C116-V119 PolarHBondContact O-N 3.13Å; C116-S120 WeakPolarHBondContact O-CB 3.16Å; C116-S120 PolarHBondContact O-N 3.03Å; C116-S120 PolarHBondContact O-OG 3.28Å; C116-M154 WeakPolarHBondContact SG-CB 3.3Å; C116-T159 HydrophobicContact CB-CG2 4.04Å
117A98.6Very high98.3Very high60 Ų6056 Ų5650%0.49630%0.302SS..Hα-helixtrans-59.9-39.4178.200000112.8E113 A114 V115 K121E113-A117 WeakPolarHBondContact O-CB 3.3Å; E113-A117 PolarHBondContact O-N 2.99Å; A114-A117 PolarHBondContact O-N 3.38Å; V115-A117 PolarHBondContact O-N 2.74Å; A117-K121 VanDerWaalsContact O-CB 3.24Å; A117-K121 WeakPolarHBondContact O-CB 3.41Å; A117-K121 PolarHBondContact O-N 3.04Å; A117-K121 VanDerWaalsContact O-N 3.09Å
118F98.8Very high98.3Very high13 Ų1354.8 Ų54.86%0.05730%0.296CS..Hα-helixtrans-60.2-53.9174.4177.9-109.4000111.5C78 A89 L91 A114 V115 C116 K121 L122C78-F118 HydrophobicContact CB-CD2 4.21Å; C78-F118 WeakPolarHBondContact O-CB 3.44Å; A89-F118 HydrophobicContact CB-CE2 4.01Å; A89-F118 HydrophobicContact CB-CZ 3.98Å; L91-F118 HydrophobicContact CD2-CD1 4.37Å; L91-F118 HydrophobicContact CD2-CE1 3.98Å; L91-F118 HydrophobicContact CG-CE1 4.31Å; A114-F118 WeakPolarHBondContact O-CB 3.48Å; A114-F118 PolarHBondContact O-N 2.93Å; V115-F118 WeakPolarHBondContact O-CB 3.46Å; V115-F118 PolarHBondContact O-N 3.16Å; C116-F118 VanDerWaalsContact C-N 3.31Å; C116-F118 PolarHBondContact O-N 2.84Å; F118-K121 PolarHBondContact O-N 3.39Å; F118-L122 HydrophobicContact CD1-CD1 4.15Å; F118-L122 HydrophobicContact CD2-CD1 4.37Å; F118-L122 HydrophobicContact CE1-CD1 3.66Å; F118-L122 HydrophobicContact CE2-CD1 3.89Å; F118-L122 HydrophobicContact CG-CD1 4.49Å; F118-L122 HydrophobicContact CZ-CD1 3.51Å; F118-L122 WeakPolarHBondContact O-CG 3.36Å; F118-L122 PolarHBondContact O-N 3.35Å
119V98.9Very high98.4Very high0 Ų048.4 Ų48.40%026%0.261CS..Hα-helixtrans-62.5-48.1-177.9175.50000110.9L91 V115 C116 K121 L122 F129 A145 T148 L149 I160L91-V119 HydrophobicContact CD2-CG2 3.92Å; V115-V119 HydrophobicContact CG1-CG2 4.3Å; V115-V119 WeakPolarHBondContact O-CG2 3.23Å; V115-V119 PolarHBondContact O-N 2.9Å; C116-V119 PolarHBondContact O-N 3.13Å; V119-K121 VanDerWaalsContact C-N 3.3Å; V119-K121 PolarHBondContact O-N 3.08Å; V119-L122 PolarHBondContact O-N 2.86Å; V119-L122 VanDerWaalsContact O-N 3.12Å; V119-F129 HydrophobicContact CG1-CE1 4.01Å; V119-A145 HydrophobicContact CG1-CB 3.59Å; V119-T148 HydrophobicContact CG2-CG2 4.24Å; V119-L149 HydrophobicContact CB-CD2 4.29Å; V119-L149 HydrophobicContact CB-CG 4.42Å; V119-L149 HydrophobicContact CG1-CD1 3.76Å; V119-L149 HydrophobicContact CG1-CD2 4.36Å; V119-L149 HydrophobicContact CG1-CG 3.95Å; V119-L149 HydrophobicContact CG2-CD2 4.46Å; V119-I160 HydrophobicContact CG1-CG2 4.43Å
120S98.7Very high98.4Very high38 Ų3844.1 Ų44.127%0.26624%0.243SC..Hα-helixtrans-59-40.4179.7-58.60000112.5C116 L122 Q123 T159C116-S120 WeakPolarHBondContact O-CB 3.16Å; C116-S120 PolarHBondContact O-N 3.03Å; C116-S120 PolarHBondContact O-OG 3.28Å; S120-L122 PolarHBondContact O-N 2.93Å; S120-Q123 WeakPolarHBondContact O-CB 3.48Å; S120-Q123 PolarHBondContact O-N 3.4Å; S120-T159 VanDerWaalsContact CB-O 3.28Å; S120-T159 WeakPolarHBondContact CB-O 3.36Å; S120-T159 PolarHBondContact OG-O 3.44Å
121K98.5Very high98.5Very high177 Ų17743.5 Ų43.577%0.7724%0.24SC*.Hα-helixtrans-67.3-23.5179.9-174.3176179.4-176.60113.1A117 F118 V119A117-K121 VanDerWaalsContact O-CB 3.24Å; A117-K121 WeakPolarHBondContact O-CB 3.41Å; A117-K121 PolarHBondContact O-N 3.04Å; A117-K121 VanDerWaalsContact O-N 3.09Å; F118-K121 PolarHBondContact O-N 3.39Å; V119-K121 VanDerWaalsContact C-N 3.3Å; V119-K121 PolarHBondContact O-N 3.08Å
122L98.8Very high98.6Very high11 Ų1141.1 Ų41.16%0.05823%0.227CC..Hα-helixtrans-85.2-10.2178.7-67.8174.6000113.1L91 F118 V119 S120 Q124 F129 A130 D132L91-L122 HydrophobicContact CD1-CB 4.48Å; L91-L122 HydrophobicContact CD1-CD1 3.93Å; L91-L122 HydrophobicContact CD2-CD1 4.07Å; L91-L122 HydrophobicContact CG-CD1 3.67Å; F118-L122 HydrophobicContact CD1-CD1 4.15Å; F118-L122 HydrophobicContact CD2-CD1 4.37Å; F118-L122 HydrophobicContact CE1-CD1 3.66Å; F118-L122 HydrophobicContact CE2-CD1 3.89Å; F118-L122 HydrophobicContact CG-CD1 4.49Å; F118-L122 HydrophobicContact CZ-CD1 3.51Å; F118-L122 WeakPolarHBondContact O-CG 3.36Å; F118-L122 PolarHBondContact O-N 3.35Å; V119-L122 PolarHBondContact O-N 2.86Å; V119-L122 VanDerWaalsContact O-N 3.12Å; S120-L122 PolarHBondContact O-N 2.93Å; L122-Q124 PolarHBondContact O-N 2.9Å; L122-Q124 PolarHBondContact O-NE2 2.9Å; L122-F129 HydrophobicContact CB-CD1 4.47Å; L122-F129 WeakPolarHBondContact O-CA 3.3Å; L122-A130 WeakPolarHBondContact CB-O 3.33Å; L122-A130 HydrophobicContact CD2-CB 4.26Å; L122-A130 PolarHBondContact O-N 2.87Å; L122-D132 WeakPolarHBondContact CD2-O 3.33Å
123Q98.9Very high98.5Very high36 Ų3645.9 Ų45.917%0.16825%0.25CC..BIsolated β-bridgetrans-68.7130.7173.1-163.9172.324.600110.7S120 S128 F129 D161S120-Q123 WeakPolarHBondContact O-CB 3.48Å; S120-Q123 PolarHBondContact O-N 3.4Å; Q123-S128 CarbonylContact C-O 3.56Å; Q123-S128 WeakPolarHBondContact CA-O 3.26Å; Q123-F129 HydrophobicContact CB-CD1 3.99Å; Q123-F129 HydrophobicContact CB-CE1 3.51Å; Q123-F129 HydrophobicContact CB-CE2 4.42Å; Q123-F129 HydrophobicContact CB-CZ 3.75Å; Q123-F129 HydrophobicContact CG-CD1 4.43Å; Q123-F129 HydrophobicContact CG-CD2 4.44Å; Q123-F129 HydrophobicContact CG-CE1 3.9Å; Q123-F129 HydrophobicContact CG-CE2 3.89Å; Q123-F129 HydrophobicContact CG-CZ 3.59Å; Q123-D161 PolarHBondContact NE2-O 3.29Å
124Q98.7Very high98.4Very high69 Ų6948.3 Ų48.332%0.32225%0.253SS..  trans-91.3161.7177.7-56.6-51.4-5800111.4L122 D126 G127 S128 I137L122-Q124 PolarHBondContact O-N 2.9Å; L122-Q124 PolarHBondContact O-NE2 2.9Å; Q124-D126 WeakPolarHBondContact CB-OD1 3.31Å; Q124-D126 PolarHBondContact O-N 3.25Å; Q124-D126 VanDerWaalsContact O-N 3.12Å; Q124-G127 PolarHBondContact O-N 2.94Å; Q124-S128 WeakPolarHBondContact CB-OG 3.39Å; Q124-S128 WeakPolarHBondContact CG-OG 3.2Å; Q124-S128 PolarHBondContact N-O 3.24Å; Q124-I137 HydrophobicContact CG-CD1 3.6Å
125P98.3Very high98.3Very high133 Ų13349.3 Ų49.386%0.86427%0.266SS*.THydrogen-bonded Turntrans-58.9-24.7-179.9-26.935.8000115.2G127P125-G127 VanDerWaalsContact C-N 3.29Å
126D98.4Very high98.3Very high82 Ų8254.3 Ų54.344%0.43929%0.289SS..THydrogen-bonded Turntrans-84.5-3.2177.870.7-12000113.6Q124 S128 Y168Q124-D126 WeakPolarHBondContact CB-OD1 3.31Å; Q124-D126 PolarHBondContact O-N 3.25Å; Q124-D126 VanDerWaalsContact O-N 3.12Å; D126-S128 VanDerWaalsContact OD1-CB 3.25Å; D126-S128 WeakPolarHBondContact OD1-CB 3.46Å; D126-S128 PolarHBondContact OD1-N 3.4Å; D126-S128 PolarHBondContact OD1-OG 3.05Å; D126-Y168 WeakPolarHBondContact OD2-CE2 3.25Å
127G98.8Very high98.3Very high0 Ų055.7 Ų55.70%029%0.294CS..SBendtrans96.6-10-178.200000115Q124 P125 C165Q124-G127 PolarHBondContact O-N 2.94Å; P125-G127 VanDerWaalsContact C-N 3.29Å; G127-C165 WeakPolarHBondContact O-CA 3.38Å
128S98.8Very high98.3Very high2 Ų253.2 Ų53.21%0.01427%0.273CS..  trans-69.7169.1175.4700000112.3Q123 Q124 D126 Y168Q123-S128 CarbonylContact C-O 3.56Å; Q123-S128 WeakPolarHBondContact CA-O 3.26Å; Q124-S128 WeakPolarHBondContact CB-OG 3.39Å; Q124-S128 WeakPolarHBondContact CG-OG 3.2Å; Q124-S128 PolarHBondContact N-O 3.24Å; D126-S128 VanDerWaalsContact OD1-CB 3.25Å; D126-S128 WeakPolarHBondContact OD1-CB 3.46Å; D126-S128 PolarHBondContact OD1-N 3.4Å; D126-S128 PolarHBondContact OD1-OG 3.05Å; S128-Y168 VanDerWaalsContact CB-CZ 3.4Å
129F98.9Very high98.3Very high0 Ų052.6 Ų52.60%027%0.27CS..BIsolated β-bridgetrans-122.3135.7174.6-72.8-100000110.4L91 V119 L122 Q123 F141 A145 I160 C165L91-F129 HydrophobicContact CD1-CB 4.12Å; V119-F129 HydrophobicContact CG1-CE1 4.01Å; L122-F129 HydrophobicContact CB-CD1 4.47Å; L122-F129 WeakPolarHBondContact O-CA 3.3Å; Q123-F129 HydrophobicContact CB-CD1 3.99Å; Q123-F129 HydrophobicContact CB-CE1 3.51Å; Q123-F129 HydrophobicContact CB-CE2 4.42Å; Q123-F129 HydrophobicContact CB-CZ 3.75Å; Q123-F129 HydrophobicContact CG-CD1 4.43Å; Q123-F129 HydrophobicContact CG-CD2 4.44Å; Q123-F129 HydrophobicContact CG-CE1 3.9Å; Q123-F129 HydrophobicContact CG-CE2 3.89Å; Q123-F129 HydrophobicContact CG-CZ 3.59Å; F129-F141 HydrophobicContact CB-CB 4.21Å; F129-F141 WeakPolarHBondContact O-CB 3.19Å; F129-A145 HydrophobicContact CB-CB 4.42Å; F129-A145 HydrophobicContact CD1-CB 3.46Å; F129-A145 VanDerWaalsContact CD1-CB 3.46Å; F129-A145 HydrophobicContact CD2-CB 4.12Å; F129-A145 HydrophobicContact CE1-CB 3.61Å; F129-A145 HydrophobicContact CE2-CB 4.26Å; F129-A145 HydrophobicContact CG-CB 3.73Å; F129-A145 HydrophobicContact CZ-CB 4.02Å; F129-I160 HydrophobicContact CE1-CG2 4.04Å; F129-I160 HydrophobicContact CZ-CB 4.18Å; F129-I160 HydrophobicContact CZ-CD1 3.98Å; F129-I160 HydrophobicContact CZ-CG2 3.88Å; F129-C165 HydrophobicContact CE2-CB 4.18Å
130A98.8Very high98.3Very high2 Ų256.6 Ų56.62%0.01729%0.285CS..BIsolated β-bridgetrans-78.4145.9165.400000110.8L91 L122 D132 E136 I137L91-A130 WeakPolarHBondContact CD1-O 3.32Å; L122-A130 WeakPolarHBondContact CB-O 3.33Å; L122-A130 HydrophobicContact CD2-CB 4.26Å; L122-A130 PolarHBondContact O-N 2.87Å; A130-D132 VanDerWaalsContact C-N 3.32Å; A130-E136 WeakPolarHBondContact CA-O 3.37Å; A130-I137 HydrophobicContact CB-CD1 3.94Å
131G98.4Very high98.3Very high0 Ų054.9 Ų54.90%027%0.273CS..SBendtrans-67.2-3517800000113.1H90 L91 E136 F141H90-G131 WeakPolarHBondContact CA-O 3.48Å; H90-G131 VanDerWaalsContact CD2-C 3.46Å; H90-G131 PolarHBondContact CD2-O 3.49Å; H90-G131 WeakPolarHBondContact NE2-CA 3.36Å; L91-G131 PolarHBondContact N-O 3.5Å; G131-E136 PolarHBondContact N-O 3.31Å; G131-E136 VanDerWaalsContact N-O 3.1Å; G131-F141 VanDerWaalsContact CA-CD2 3.45Å
132D98.2Very high98.3Very high29 Ų2946.4 Ų46.416%0.15524%0.236CC..SBendtrans-159.3-163179.862.223.4000111.1H90 L122 A130 W134 G135H90-D132 IonicContact CD2-OD2 3.36Å; H90-D132 PolarHBondContact CD2-OD2 2.94Å; L122-D132 WeakPolarHBondContact CD2-O 3.33Å; A130-D132 VanDerWaalsContact C-N 3.32Å; D132-W134 PolarHBondContact O-N 2.82Å; D132-W134 WeakPolarHBondContact OD1-CA 3.41Å; D132-W134 VanDerWaalsContact OD1-CB 3.29Å; D132-W134 WeakPolarHBondContact OD1-CB 3.37Å; D132-W134 PolarHBondContact OD1-N 2.94Å; D132-G135 PolarHBondContact O-N 3.46Å
133I96Very high98.3Very high128 Ų12846.4 Ų46.466%0.65624%0.236SC*.THydrogen-bonded Turntrans-67.7-11.8-178.663.1171.8000114.6
134W96.2Very high98.3Very high196 Ų19645 Ų4574%0.74223%0.23SC*.THydrogen-bonded Turntrans-88.2-9.5-178.5-55.2112.5000113D132D132-W134 PolarHBondContact O-N 2.82Å; D132-W134 WeakPolarHBondContact OD1-CA 3.41Å; D132-W134 VanDerWaalsContact OD1-CB 3.29Å; D132-W134 WeakPolarHBondContact OD1-CB 3.37Å; D132-W134 PolarHBondContact OD1-N 2.94Å
135G96.3Very high98.3Very high42 Ų4241.7 Ų41.743%0.43321%0.214SC..  trans83.815.7163.700000116.1D132 I137D132-G135 PolarHBondContact O-N 3.46Å; G135-I137 PolarHBondContact O-N 3.32Å
136E98.3Very high98.4Very high105 Ų10535.4 Ų35.449%0.49117%0.173SC..  trans-61.4131169.4-173.6-167.3164.600109.7A130 G131 R140 F141A130-E136 WeakPolarHBondContact CA-O 3.37Å; G131-E136 PolarHBondContact N-O 3.31Å; G131-E136 VanDerWaalsContact N-O 3.1Å; E136-R140 IonicContact OE1-NH2 3.56Å; E136-R140 PolarHBondContact OE1-NH2 2.7Å; E136-F141 HydrophobicContact CB-CE2 3.96Å; E136-F141 HydrophobicContact CG-CE2 3.83Å; E136-F141 HydrophobicContact CG-CZ 4.29Å; E136-F141 VanDerWaalsContact O-CD2 3.28Å; E136-F141 WeakPolarHBondContact O-CD2 3.42Å; E136-F141 WeakPolarHBondContact O-CE2 3.4Å
137I98.6Very high98.4Very high46 Ų4631.5 Ų31.524%0.23615%0.152CC..BIsolated β-bridgetrans-109.2126.1176.9-54.7-56.7000110.1Q124 A130 G135 Y168Q124-I137 HydrophobicContact CG-CD1 3.6Å; A130-I137 HydrophobicContact CB-CD1 3.94Å; G135-I137 PolarHBondContact O-N 3.32Å; I137-Y168 VanDerWaalsContact CG2-OH 3.29Å; I137-Y168 WeakPolarHBondContact CG2-OH 3.29Å
138D98.7Very high98.4Very high8 Ų831.5 Ų31.54%0.04315%0.152CC..  trans-153.3144.2177.6-168.9-68.3000110.1R140 F141 T181 Q191D138-R140 VanDerWaalsContact CG-NH2 3.3Å; D138-R140 PolarHBondContact O-N 3.11Å; D138-R140 VanDerWaalsContact O-N 3.13Å; D138-R140 VanDerWaalsContact OD1-CB 3.23Å; D138-R140 WeakPolarHBondContact OD1-CB 3.28Å; D138-R140 WeakPolarHBondContact OD1-CG 3.45Å; D138-R140 IonicContact OD1-CZ 3.41Å; D138-R140 PolarHBondContact OD1-N 3.32Å; D138-R140 IonicContact OD1-NE 3.29Å; D138-R140 PolarHBondContact OD1-NE 3.17Å; D138-R140 IonicContact OD1-NH2 3.69Å; D138-R140 IonicContact OD2-CZ 2.79Å; D138-R140 VanDerWaalsContact OD2-CZ 3.29Å; D138-R140 IonicContact OD2-NE 2.68Å; D138-R140 PolarHBondContact OD2-NE 3.13Å; D138-R140 IonicContact OD2-NH2 3.93Å; D138-R140 PolarHBondContact OD2-NH2 3.48Å; D138-F141 HydrophobicContact CB-CD2 3.8Å; D138-F141 HydrophobicContact CB-CE1 4.38Å; D138-F141 HydrophobicContact CB-CE2 3.64Å; D138-F141 HydrophobicContact CB-CG 4.27Å; D138-F141 HydrophobicContact CB-CZ 3.96Å; D138-F141 WeakPolarHBondContact O-CB 3Å; D138-F141 PolarHBondContact O-N 2.94Å; D138-T181 CarbonylContact C-O 3.6Å; D138-T181 WeakPolarHBondContact CA-O 3.46Å; D138-T181 WeakPolarHBondContact OD2-CG2 3.33Å; D138-Q191 PolarHBondContact OD1-NE2 3.49Å; D138-Q191 PolarHBondContact OD1-OE1 3.29Å
139T98.8Very high98.4Very high0 Ų031.4 Ų31.40%015%0.152CC..Hα-helixtrans-61.4-23.217978.90000113.3F141 S142 F143 L169 C172 G180 T181 Q191 C194 V195T139-F141 PolarHBondContact O-N 2.96Å; T139-S142 PolarHBondContact O-N 3.37Å; T139-F143 PolarHBondContact O-N 3.25Å; T139-L169 HydrophobicContact CG2-CD2 4.42Å; T139-C172 HydrophobicContact CG2-CB 4.24Å; T139-G180 VanDerWaalsContact CG2-O 3.24Å; T139-G180 WeakPolarHBondContact CG2-O 3.47Å; T139-T181 VanDerWaalsContact CG2-O 3.3Å; T139-T181 WeakPolarHBondContact CG2-O 3.37Å; T139-T181 PolarHBondContact N-O 3.26Å; T139-Q191 PolarHBondContact OG1-OE1 3.48Å; T139-C194 WeakPolarHBondContact OG1-CB 3.42Å; T139-V195 HydrophobicContact CG2-CG2 3.74Å
140R98.7Very high98.4Very high85 Ų8532.7 Ų32.732%0.32116%0.158SC..Hα-helixtrans-52.7-40.6168.9-70.5173.9-66.6154.15.8111.5L92 E136 D138 F143 C144L92-R140 HydrophobicContact CD2-CB 4.45Å; E136-R140 IonicContact OE1-NH2 3.56Å; E136-R140 PolarHBondContact OE1-NH2 2.7Å; D138-R140 VanDerWaalsContact CG-NH2 3.3Å; D138-R140 PolarHBondContact O-N 3.11Å; D138-R140 VanDerWaalsContact O-N 3.13Å; D138-R140 VanDerWaalsContact OD1-CB 3.23Å; D138-R140 WeakPolarHBondContact OD1-CB 3.28Å; D138-R140 WeakPolarHBondContact OD1-CG 3.45Å; D138-R140 IonicContact OD1-CZ 3.41Å; D138-R140 PolarHBondContact OD1-N 3.32Å; D138-R140 IonicContact OD1-NE 3.29Å; D138-R140 PolarHBondContact OD1-NE 3.17Å; D138-R140 IonicContact OD1-NH2 3.69Å; D138-R140 IonicContact OD2-CZ 2.79Å; D138-R140 VanDerWaalsContact OD2-CZ 3.29Å; D138-R140 IonicContact OD2-NE 2.68Å; D138-R140 PolarHBondContact OD2-NE 3.13Å; D138-R140 IonicContact OD2-NH2 3.93Å; D138-R140 PolarHBondContact OD2-NH2 3.48Å; R140-F143 PolarHBondContact O-N 2.95Å; R140-C144 WeakPolarHBondContact O-CB 3.49Å; R140-C144 PolarHBondContact O-N 3.42Å; R140-C144 PolarHBondContact O-SG 2.92Å
141F98.9Very high98.4Very high1 Ų132.9 Ų32.90%0.00416%0.159CC..Hα-helixtrans-73.8-39-177.4-52.7-24.4000111.3H90 L91 L92 F129 G131 E136 D138 T139 F143 C144 A145H90-F141 AromaticContact CE1-CD1 3.88Å; H90-F141 AromaticContact CE1-CE1 3.37Å; H90-F141 WeakPolarHBondContact CE1-CE1 3.37Å; H90-F141 AromaticContact CE1-CZ 3.88Å; H90-F141 AromaticContact NE2-CE1 3.82Å; H90-F141 AromaticContact NE2-CZ 3.86Å; L91-F141 HydrophobicContact CD1-CB 3.95Å; L92-F141 HydrophobicContact CD1-CE1 4.15Å; L92-F141 HydrophobicContact CG-CD1 4.4Å; L92-F141 HydrophobicContact CG-CE1 4.15Å; F129-F141 HydrophobicContact CB-CB 4.21Å; F129-F141 WeakPolarHBondContact O-CB 3.19Å; G131-F141 VanDerWaalsContact CA-CD2 3.45Å; E136-F141 HydrophobicContact CB-CE2 3.96Å; E136-F141 HydrophobicContact CG-CE2 3.83Å; E136-F141 HydrophobicContact CG-CZ 4.29Å; E136-F141 VanDerWaalsContact O-CD2 3.28Å; E136-F141 WeakPolarHBondContact O-CD2 3.42Å; E136-F141 WeakPolarHBondContact O-CE2 3.4Å; D138-F141 HydrophobicContact CB-CD2 3.8Å; D138-F141 HydrophobicContact CB-CE1 4.38Å; D138-F141 HydrophobicContact CB-CE2 3.64Å; D138-F141 HydrophobicContact CB-CG 4.27Å; D138-F141 HydrophobicContact CB-CZ 3.96Å; D138-F141 WeakPolarHBondContact O-CB 3Å; D138-F141 PolarHBondContact O-N 2.94Å; T139-F141 PolarHBondContact O-N 2.96Å; F141-F143 VanDerWaalsContact C-N 3.33Å; F141-F143 PolarHBondContact O-N 3.34Å; F141-C144 PolarHBondContact O-N 2.92Å; F141-A145 WeakPolarHBondContact O-CB 3.37Å; F141-A145 PolarHBondContact O-N 3.08Å
142S98.9Very high98.4Very high0 Ų033.7 Ų33.70%016%0.163CC..Hα-helixtrans-60.4-43.1171.3-58.70000111.7T139 A145 V146T139-S142 PolarHBondContact O-N 3.37Å; S142-A145 PolarHBondContact O-N 2.73Å; S142-V146 WeakPolarHBondContact O-CB 3.47Å; S142-V146 VanDerWaalsContact O-CG2 3.31Å; S142-V146 WeakPolarHBondContact O-CG2 3.45Å; S142-V146 PolarHBondContact O-N 3.13Å
143F99Very high98.4Very high11 Ų1135.2 Ų35.25%0.04819%0.185CC..Hα-helixtrans-60.3-50.1172.8175.7-101.8000111.6L95 T139 R140 F141 A145 V146 A147 Y193 C194 A198 I201 V340 L341L95-F143 HydrophobicContact CD2-CD1 4.17Å; L95-F143 HydrophobicContact CD2-CE1 3.81Å; T139-F143 PolarHBondContact O-N 3.25Å; R140-F143 PolarHBondContact O-N 2.95Å; F141-F143 VanDerWaalsContact C-N 3.33Å; F141-F143 PolarHBondContact O-N 3.34Å; F143-A145 VanDerWaalsContact C-N 3.34Å; F143-A145 PolarHBondContact O-N 3.35Å; F143-V146 PolarHBondContact O-N 3.28Å; F143-A147 HydrophobicContact CE1-CB 4.37Å; F143-A147 HydrophobicContact CE2-CB 4.45Å; F143-A147 HydrophobicContact CZ-CB 4.24Å; F143-A147 WeakPolarHBondContact O-CB 3.35Å; F143-A147 PolarHBondContact O-N 3.39Å; F143-Y193 HydrophobicContact CD1-CE1 4.46Å; F143-Y193 AromaticContact CE1-CE1 3.92Å; F143-Y193 HydrophobicContact CE1-CE1 3.92Å; F143-Y193 HydrophobicContact CE2-CE1 4.29Å; F143-Y193 AromaticContact CZ-CE1 3.82Å; F143-Y193 HydrophobicContact CZ-CE1 3.82Å; F143-Y193 AromaticContact CZ-CZ 3.89Å; F143-Y193 WeakPolarHBondContact CZ-OH 3.45Å; F143-C194 HydrophobicContact CB-CB 3.9Å; F143-A198 HydrophobicContact CB-CB 4.49Å; F143-A198 HydrophobicContact CD2-CB 4.37Å; F143-I201 HydrophobicContact CE2-CD1 4.41Å; F143-V340 WeakPolarHBondContact CZ-O 3.38Å; F143-L341 HydrophobicContact CZ-CD2 4.42Å
144C99Very high98.5Very high6 Ų633 Ų334%0.04117%0.173CC..Hα-helixtrans-58.9-43.4179-72.30000112.9L91 L95 R140 F141 T148L91-C144 HydrophobicContact CB-CB 3.93Å; L95-C144 HydrophobicContact CB-CB 4.06Å; L95-C144 HydrophobicContact CD2-CB 4.32Å; R140-C144 WeakPolarHBondContact O-CB 3.49Å; R140-C144 PolarHBondContact O-N 3.42Å; R140-C144 PolarHBondContact O-SG 2.92Å; F141-C144 PolarHBondContact O-N 2.92Å; C144-T148 WeakPolarHBondContact O-CB 3.4Å; C144-T148 PolarHBondContact O-N 2.99Å; C144-T148 PolarHBondContact O-OG1 3.31Å
145A99Very high98.6Very high0 Ų025.5 Ų25.50%015%0.147CC..Hα-helixtrans-59.8-52.7176.500000111.5L91 V119 F129 F141 S142 F143 T148 L149L91-A145 HydrophobicContact CD1-CB 4.23Å; L91-A145 HydrophobicContact CD2-CB 4.4Å; V119-A145 HydrophobicContact CG1-CB 3.59Å; F129-A145 HydrophobicContact CB-CB 4.42Å; F129-A145 HydrophobicContact CD1-CB 3.46Å; F129-A145 VanDerWaalsContact CD1-CB 3.46Å; F129-A145 HydrophobicContact CD2-CB 4.12Å; F129-A145 HydrophobicContact CE1-CB 3.61Å; F129-A145 HydrophobicContact CE2-CB 4.26Å; F129-A145 HydrophobicContact CG-CB 3.73Å; F129-A145 HydrophobicContact CZ-CB 4.02Å; F141-A145 WeakPolarHBondContact O-CB 3.37Å; F141-A145 PolarHBondContact O-N 3.08Å; S142-A145 PolarHBondContact O-N 2.73Å; F143-A145 VanDerWaalsContact C-N 3.34Å; F143-A145 PolarHBondContact O-N 3.35Å; A145-T148 PolarHBondContact O-N 2.85Å; A145-L149 WeakPolarHBondContact O-CG 3.42Å; A145-L149 PolarHBondContact O-N 3.4Å; A145-L149 VanDerWaalsContact O-N 3.12Å
146V99Very high98.7Very high0 Ų025.4 Ų25.40%014%0.14CC..Hα-helixtrans-64.7-45.5-178.4171.50000111.4S142 F143 L149 H150 L155 I160 I201 L202S142-V146 WeakPolarHBondContact O-CB 3.47Å; S142-V146 VanDerWaalsContact O-CG2 3.31Å; S142-V146 WeakPolarHBondContact O-CG2 3.45Å; S142-V146 PolarHBondContact O-N 3.13Å; F143-V146 PolarHBondContact O-N 3.28Å; V146-L149 PolarHBondContact O-N 3.04Å; V146-H150 WeakPolarHBondContact O-CB 3.33Å; V146-H150 PolarHBondContact O-N 2.93Å; V146-L155 HydrophobicContact CG1-CD2 4.31Å; V146-I160 HydrophobicContact CG2-CD1 4.34Å; V146-I201 HydrophobicContact CG1-CB 3.68Å; V146-I201 HydrophobicContact CG1-CD1 4Å; V146-I201 HydrophobicContact CG1-CG1 4.44Å; V146-I201 HydrophobicContact CG1-CG2 3.44Å; V146-I201 VanDerWaalsContact CG1-CG2 3.44Å; V146-L202 HydrophobicContact CG1-CD2 3.78Å; V146-L202 HydrophobicContact CG1-CG 4.04Å; V146-L202 HydrophobicContact CG2-CD1 4.39Å; V146-L202 HydrophobicContact CG2-CD2 4.2Å; V146-L202 HydrophobicContact CG2-CG 4.44Å
147A99Very high98.7Very high0 Ų029 Ų290%015%0.154CC..Hα-helixtrans-64.4-43.4179.100000112.4L95 F143 L149 H150 I151 I201 L341L95-A147 HydrophobicContact CD1-CB 3.63Å; L95-A147 HydrophobicContact CD2-CB 4.18Å; F143-A147 HydrophobicContact CE1-CB 4.37Å; F143-A147 HydrophobicContact CE2-CB 4.45Å; F143-A147 HydrophobicContact CZ-CB 4.24Å; F143-A147 WeakPolarHBondContact O-CB 3.35Å; F143-A147 PolarHBondContact O-N 3.39Å; A147-L149 PolarHBondContact O-N 3.19Å; A147-H150 PolarHBondContact O-N 3.06Å; A147-I151 WeakPolarHBondContact O-CG1 3.39Å; A147-I151 PolarHBondContact O-N 3.23Å; A147-I201 HydrophobicContact CB-CD1 4.01Å; A147-L341 HydrophobicContact CB-CD2 3.65Å
148T99Very high98.6Very high0 Ų034.5 Ų34.50%018%0.184CC..Hα-helixtrans-57.4-51.3176.3-64.30000110.7T94 I98 V115 V119 C144 A145 H150 I151 L152T94-T148 HydrophobicContact CG2-CG2 3.99Å; I98-T148 HydrophobicContact CG1-CG2 4.02Å; V115-T148 HydrophobicContact CG1-CG2 3.66Å; V119-T148 HydrophobicContact CG2-CG2 4.24Å; C144-T148 WeakPolarHBondContact O-CB 3.4Å; C144-T148 PolarHBondContact O-N 2.99Å; C144-T148 PolarHBondContact O-OG1 3.31Å; A145-T148 PolarHBondContact O-N 2.85Å; T148-H150 VanDerWaalsContact C-N 3.3Å; T148-H150 PolarHBondContact O-N 3.43Å; T148-I151 PolarHBondContact O-N 3.35Å; T148-L152 HydrophobicContact CG2-CD1 4.12Å; T148-L152 WeakPolarHBondContact O-CG 3.49Å; T148-L152 PolarHBondContact O-N 3.44Å; T148-L152 VanDerWaalsContact O-N 3.16Å
149L98.9Very high98.6Very high0 Ų035.4 Ų35.40%019%0.19CC..Hα-helixtrans-66.1-33.6-179.9-67.1178.9000112.4V119 A145 V146 A147 G153 M154 L155 T159 I160V119-L149 HydrophobicContact CB-CD2 4.29Å; V119-L149 HydrophobicContact CB-CG 4.42Å; V119-L149 HydrophobicContact CG1-CD1 3.76Å; V119-L149 HydrophobicContact CG1-CD2 4.36Å; V119-L149 HydrophobicContact CG1-CG 3.95Å; V119-L149 HydrophobicContact CG2-CD2 4.46Å; A145-L149 WeakPolarHBondContact O-CG 3.42Å; A145-L149 PolarHBondContact O-N 3.4Å; A145-L149 VanDerWaalsContact O-N 3.12Å; V146-L149 PolarHBondContact O-N 3.04Å; A147-L149 PolarHBondContact O-N 3.19Å; L149-G153 PolarHBondContact O-N 3.13Å; L149-M154 HydrophobicContact CD2-CB 4.3Å; L149-M154 CarbonylContact O-C 3.57Å; L149-M154 PolarHBondContact O-N 3.48Å; L149-L155 HydrophobicContact CB-CB 3.97Å; L149-L155 HydrophobicContact CB-CD1 4.28Å; L149-L155 HydrophobicContact CD1-CD1 4.45Å; L149-L155 PolarHBondContact O-N 2.95Å; L149-L155 VanDerWaalsContact O-N 3.08Å; L149-T159 HydrophobicContact CD1-CG2 3.81Å; L149-T159 HydrophobicContact CD2-CG2 3.76Å; L149-T159 HydrophobicContact CG-CG2 4.43Å; L149-I160 HydrophobicContact CD1-CD1 3.98Å; L149-I160 HydrophobicContact CD1-CG1 4.03Å; L149-I160 HydrophobicContact CD1-CG2 3.7Å
150H98.9Very high98.6Very high28 Ų2835.7 Ų35.713%0.1319%0.191CC..Hα-helixtrans-68.3-47.5178.1-166.861.7000111.9V146 A147 T148 L152 G153 L155 I201 L353 K354 F355V146-H150 WeakPolarHBondContact O-CB 3.33Å; V146-H150 PolarHBondContact O-N 2.93Å; A147-H150 PolarHBondContact O-N 3.06Å; T148-H150 VanDerWaalsContact C-N 3.3Å; T148-H150 PolarHBondContact O-N 3.43Å; H150-L152 PolarHBondContact O-N 2.97Å; H150-G153 PolarHBondContact O-N 2.99Å; H150-L155 HydrophobicContact CB-CD2 4.19Å; H150-I201 HydrophobicContact CB-CG2 3.65Å; H150-I201 VanDerWaalsContact CG-CG2 3.49Å; H150-L353 WeakPolarHBondContact O-CD2 3.33Å; H150-K354 PolarHBondContact NE2-N 3.46Å; H150-K354 PolarHBondContact NE2-O 2.97Å; H150-F355 AromaticContact CD2-CE1 3.66Å; H150-F355 AromaticContact NE2-CE1 3.77Å
151I98.9Very high98.6Very high6 Ų635.8 Ų35.83%0.03120%0.198CC..Hα-helixtrans-59.2-38.2177.1-66.5165.9000111L95 I98 Q99 A102 L107 A147 T148 G153 L341 M343 L351 L353L95-I151 HydrophobicContact CD1-CD1 4.03Å; I98-I151 HydrophobicContact CG2-CB 3.86Å; I98-I151 HydrophobicContact CG2-CD1 4.31Å; I98-I151 HydrophobicContact CG2-CG2 3.52Å; Q99-I151 HydrophobicContact CG-CD1 3.83Å; A102-I151 HydrophobicContact CB-CG2 3.88Å; L107-I151 HydrophobicContact CD1-CG2 3.96Å; L107-I151 HydrophobicContact CD2-CG2 4.44Å; A147-I151 WeakPolarHBondContact O-CG1 3.39Å; A147-I151 PolarHBondContact O-N 3.23Å; T148-I151 PolarHBondContact O-N 3.35Å; I151-G153 VanDerWaalsContact C-N 3.25Å; I151-G153 PolarHBondContact O-N 2.7Å; I151-L341 HydrophobicContact CD1-CD1 4.11Å; I151-L341 HydrophobicContact CG1-CD1 3.77Å; I151-M343 HydrophobicContact CD1-SD 4.31Å; I151-L351 HydrophobicContact CG2-CD1 4.05Å; I151-L353 HydrophobicContact CG1-CD1 4.1Å
152L98.7Very high98.6Very high17 Ų1737.4 Ų37.49%0.08921%0.207CC..THydrogen-bonded Turntrans-76.8-5.6177.5-68.1174.6000114.2I98 L107 V112 V115 T148 H150 M154I98-L152 HydrophobicContact CD1-CD1 4.37Å; I98-L152 HydrophobicContact CD1-CD2 4.16Å; I98-L152 HydrophobicContact CG1-CD1 4.45Å; I98-L152 HydrophobicContact CG2-CD2 4.26Å; I98-L152 HydrophobicContact CG2-CG 4.15Å; L107-L152 HydrophobicContact CD2-CD2 4.05Å; V112-L152 HydrophobicContact CG1-CB 4.47Å; V112-L152 HydrophobicContact CG1-CD1 4.45Å; V112-L152 HydrophobicContact CG2-CD2 4.19Å; V115-L152 HydrophobicContact CB-CD1 4.07Å; V115-L152 HydrophobicContact CG1-CD1 3.64Å; T148-L152 HydrophobicContact CG2-CD1 4.12Å; T148-L152 WeakPolarHBondContact O-CG 3.49Å; T148-L152 PolarHBondContact O-N 3.44Å; T148-L152 VanDerWaalsContact O-N 3.16Å; H150-L152 PolarHBondContact O-N 2.97Å; L152-M154 HydrophobicContact CB-CB 4.38Å; L152-M154 HydrophobicContact CB-CG 4.08Å; L152-M154 WeakPolarHBondContact O-CE 3.48Å; L152-M154 PolarHBondContact O-N 3.21Å
153G98.1Very high98.6Very high61 Ų6142 Ų4263%0.62923%0.228SC*.THydrogen-bonded Turntrans68.117.9-174.200000114L149 H150 I151L149-G153 PolarHBondContact O-N 3.13Å; H150-G153 PolarHBondContact O-N 2.99Å; I151-G153 VanDerWaalsContact C-N 3.25Å; I151-G153 PolarHBondContact O-N 2.7Å
154M98.4Very high98.6Very high80 Ų8042.5 Ų42.539%0.39423%0.234SC..  trans-108.85.5-174.1-62.8-59.7128.100113.6V112 C116 L149 L152 S156 T159V112-M154 HydrophobicContact CG1-CG 3.55Å; V112-M154 HydrophobicContact CG1-SD 4.23Å; C116-M154 WeakPolarHBondContact SG-CB 3.3Å; L149-M154 HydrophobicContact CD2-CB 4.3Å; L149-M154 CarbonylContact O-C 3.57Å; L149-M154 PolarHBondContact O-N 3.48Å; L152-M154 HydrophobicContact CB-CB 4.38Å; L152-M154 HydrophobicContact CB-CG 4.08Å; L152-M154 WeakPolarHBondContact O-CE 3.48Å; L152-M154 PolarHBondContact O-N 3.21Å; M154-S156 PolarHBondContact O-N 3.29Å; M154-T159 WeakPolarHBondContact O-CB 3.42Å; M154-T159 PolarHBondContact O-OG1 3.21Å
155L98.6Very high98.5Very high39 Ų3942.2 Ų42.220%0.20423%0.232CC..  trans-69.2101.8175179.564000110.2V146 L149 H150 I160 I162 I201 L202V146-L155 HydrophobicContact CG1-CD2 4.31Å; L149-L155 HydrophobicContact CB-CB 3.97Å; L149-L155 HydrophobicContact CB-CD1 4.28Å; L149-L155 HydrophobicContact CD1-CD1 4.45Å; L149-L155 PolarHBondContact O-N 2.95Å; L149-L155 VanDerWaalsContact O-N 3.08Å; H150-L155 HydrophobicContact CB-CD2 4.19Å; L155-I160 HydrophobicContact CD1-CD1 3.79Å; L155-I160 HydrophobicContact CD1-CG1 4.19Å; L155-I162 HydrophobicContact CD1-CD1 4.37Å; L155-I162 HydrophobicContact CD1-CG1 4.43Å; L155-I201 HydrophobicContact CD2-CG2 3.48Å; L155-I201 VanDerWaalsContact CD2-CG2 3.48Å; L155-L202 HydrophobicContact CD1-CD2 4.04Å; L155-L202 HydrophobicContact CD2-CD2 3.98Å; L155-L202 HydrophobicContact CG-CD2 4.48Å
156S98.1Very high98.5Very high41 Ų4142.2 Ų42.229%0.28723%0.232SC..SBendtrans-149.1163.3-179.585.60000111.4M154 N158 T159 I160M154-S156 PolarHBondContact O-N 3.29Å; S156-N158 PolarHBondContact O-N 3.16Å; S156-N158 PolarHBondContact OG-N 3.09Å; S156-N158 VanDerWaalsContact OG-N 3.17Å; S156-T159 PolarHBondContact O-N 3.34Å; S156-T159 PolarHBondContact OG-N 3.46Å; S156-T159 PolarHBondContact OG-OG1 3.28Å; S156-I160 PolarHBondContact O-N 2.59Å; S156-I160 VanDerWaalsContact O-N 3.11Å
157K96.8Very high98.5Very high179 Ų17943.6 Ų43.678%0.77824%0.242SC*.THydrogen-bonded Turntrans-63.4-18.5173.3-65-175.7178-175.30113.6T159 I162K157-T159 VanDerWaalsContact C-N 3.33Å; K157-I162 HydrophobicContact CG-CD1 4.22Å
158N97Very high98.5Very high163 Ų16344 Ų4487%0.87224%0.244SC*.THydrogen-bonded Turntrans-82.8-16.7175.3-63.4-22.3000111.8S156S156-N158 PolarHBondContact O-N 3.16Å; S156-N158 PolarHBondContact OG-N 3.09Å; S156-N158 VanDerWaalsContact OG-N 3.17Å
159T98.4Very high98.5Very high27 Ų2744 Ų4417%0.16624%0.244CC..THydrogen-bonded Turntrans-95.7-50-179-41.80000110.5C116 S120 L149 M154 S156 K157C116-T159 HydrophobicContact CB-CG2 4.04Å; S120-T159 VanDerWaalsContact CB-O 3.28Å; S120-T159 WeakPolarHBondContact CB-O 3.36Å; S120-T159 PolarHBondContact OG-O 3.44Å; L149-T159 HydrophobicContact CD1-CG2 3.81Å; L149-T159 HydrophobicContact CD2-CG2 3.76Å; L149-T159 HydrophobicContact CG-CG2 4.43Å; M154-T159 WeakPolarHBondContact O-CB 3.42Å; M154-T159 PolarHBondContact O-OG1 3.21Å; S156-T159 PolarHBondContact O-N 3.34Å; S156-T159 PolarHBondContact OG-N 3.46Å; S156-T159 PolarHBondContact OG-OG1 3.28Å; K157-T159 VanDerWaalsContact C-N 3.33Å
160I98.7Very high98.5Very high5 Ų547.6 Ų47.63%0.02626%0.261CS..SBendtrans-139.1157.9179.358.5164.9000110.7V119 F129 V146 L149 L155 S156 I162V119-I160 HydrophobicContact CG1-CG2 4.43Å; F129-I160 HydrophobicContact CE1-CG2 4.04Å; F129-I160 HydrophobicContact CZ-CB 4.18Å; F129-I160 HydrophobicContact CZ-CD1 3.98Å; F129-I160 HydrophobicContact CZ-CG2 3.88Å; V146-I160 HydrophobicContact CG2-CD1 4.34Å; L149-I160 HydrophobicContact CD1-CD1 3.98Å; L149-I160 HydrophobicContact CD1-CG1 4.03Å; L149-I160 HydrophobicContact CD1-CG2 3.7Å; L155-I160 HydrophobicContact CD1-CD1 3.79Å; L155-I160 HydrophobicContact CD1-CG1 4.19Å; S156-I160 PolarHBondContact O-N 2.59Å; S156-I160 VanDerWaalsContact O-N 3.11Å; I160-I162 HydrophobicContact CD1-CG1 4.43Å; I160-I162 HydrophobicContact CG1-CG1 4.09Å; I160-I162 PolarHBondContact O-N 2.92Å
161D98.8Very high98.5Very high87 Ų8752.6 Ų52.647%0.46528%0.282SS..  trans-75.294.5167.8-169.2-24.1000109.8Q123 E163 A164 C165Q123-D161 PolarHBondContact NE2-O 3.29Å; D161-E163 VanDerWaalsContact C-N 3.33Å; D161-E163 PolarHBondContact O-N 3.3Å; D161-E163 PolarHBondContact OD1-N 3.48Å; D161-E163 VanDerWaalsContact OD1-N 3.08Å; D161-A164 HydrophobicContact CB-CB 3.95Å; D161-A164 VanDerWaalsContact CG-CB 3.41Å; D161-A164 PolarHBondContact OD1-N 3.31Å; D161-C165 WeakPolarHBondContact O-CB 3.44Å; D161-C165 PolarHBondContact O-N 3.23Å; D161-C165 VanDerWaalsContact O-N 3.08Å
162I98.8Very high98.5Very high35 Ų3552.3 Ų52.318%0.17928%0.28CS..Hα-helixtrans-64-37.5-179.6-69.3173.9000111.7L155 K157 I160 A166 L202L155-I162 HydrophobicContact CD1-CD1 4.37Å; L155-I162 HydrophobicContact CD1-CG1 4.43Å; K157-I162 HydrophobicContact CG-CD1 4.22Å; I160-I162 HydrophobicContact CD1-CG1 4.43Å; I160-I162 HydrophobicContact CG1-CG1 4.09Å; I160-I162 PolarHBondContact O-N 2.92Å; I162-A166 WeakPolarHBondContact O-CB 3.49Å; I162-A166 PolarHBondContact O-N 2.94Å; I162-L202 HydrophobicContact CG1-CD2 4.43Å; I162-L202 HydrophobicContact CG2-CD1 4.43Å; I162-L202 HydrophobicContact CG2-CD2 4Å
163E98.7Very high98.5Very high97 Ų9753.5 Ų53.545%0.45329%0.285SS..Hα-helixtrans-73.2-42.5-176.2-178.158.4-143.700110.7D161 C165 A166 S167 R207D161-E163 VanDerWaalsContact C-N 3.33Å; D161-E163 PolarHBondContact O-N 3.3Å; D161-E163 PolarHBondContact OD1-N 3.48Å; D161-E163 VanDerWaalsContact OD1-N 3.08Å; E163-C165 VanDerWaalsContact C-N 3.35Å; E163-A166 PolarHBondContact O-N 3.35Å; E163-S167 VanDerWaalsContact O-CB 3.26Å; E163-S167 WeakPolarHBondContact O-CB 3.24Å; E163-S167 PolarHBondContact O-N 3.5Å; E163-S167 PolarHBondContact O-OG 3.34Å; E163-S167 PolarHBondContact OE1-OG 3.44Å; E163-R207 IonicContact OE1-CZ 2.83Å; E163-R207 VanDerWaalsContact OE1-CZ 3.26Å; E163-R207 IonicContact OE1-NH1 2.74Å; E163-R207 PolarHBondContact OE1-NH1 2.78Å; E163-R207 IonicContact OE1-NH2 3.32Å; E163-R207 PolarHBondContact OE1-NH2 3.01Å; E163-R207 IonicContact OE2-CZ 3.92Å; E163-R207 IonicContact OE2-NH2 3.04Å; E163-R207 PolarHBondContact OE2-NH2 3.47Å
164A98.9Very high98.6Very high21 Ų2152.2 Ų52.217%0.17426%0.264CS..Hα-helixtrans-61.8-44.317400000111D161 S167 Y168D161-A164 HydrophobicContact CB-CB 3.95Å; D161-A164 VanDerWaalsContact CG-CB 3.41Å; D161-A164 PolarHBondContact OD1-N 3.31Å; A164-S167 PolarHBondContact O-N 2.76Å; A164-Y168 WeakPolarHBondContact O-CB 3.42Å; A164-Y168 PolarHBondContact O-N 3.4Å
165C98.9Very high98.5Very high0 Ų056.3 Ų56.30%029%0.287CS..Hα-helixtrans-58.5-50.1175.71800000111.8G127 F129 D161 E163 S167 Y168 L169 L202G127-C165 WeakPolarHBondContact O-CA 3.38Å; F129-C165 HydrophobicContact CE2-CB 4.18Å; D161-C165 WeakPolarHBondContact O-CB 3.44Å; D161-C165 PolarHBondContact O-N 3.23Å; D161-C165 VanDerWaalsContact O-N 3.08Å; E163-C165 VanDerWaalsContact C-N 3.35Å; C165-S167 VanDerWaalsContact C-N 3.35Å; C165-S167 PolarHBondContact O-N 3.33Å; C165-Y168 PolarHBondContact O-N 3.46Å; C165-L169 VanDerWaalsContact O-CG 3.3Å; C165-L169 WeakPolarHBondContact O-CG 3.42Å; C165-L169 PolarHBondContact O-N 3.44Å; C165-L202 HydrophobicContact CB-CD1 4.48Å
166A98.9Very high98.4Very high0 Ų057.8 Ų57.80%030%0.295CS..Hα-helixtrans-61.8-42.6178.400000112.2I162 E163 Y168 L169 E170 L199 L202 Q204I162-A166 WeakPolarHBondContact O-CB 3.49Å; I162-A166 PolarHBondContact O-N 2.94Å; E163-A166 PolarHBondContact O-N 3.35Å; A166-Y168 PolarHBondContact O-N 2.97Å; A166-L169 PolarHBondContact O-N 3.45Å; A166-E170 WeakPolarHBondContact O-CB 3.31Å; A166-E170 PolarHBondContact O-N 3.5Å; A166-L199 HydrophobicContact CB-CD2 3.89Å; A166-L202 HydrophobicContact CB-CD1 4.18Å; A166-Q204 HydrophobicContact CB-CB 4.24Å; A166-Q204 HydrophobicContact CB-CG 3.98Å
167S98.9Very high98.3Very high30 Ų3055.9 Ų55.921%0.2128%0.281CS..Hα-helixtrans-65.3-36.1177.4-65.80000112.8E163 A164 C165 K171E163-S167 VanDerWaalsContact O-CB 3.26Å; E163-S167 WeakPolarHBondContact O-CB 3.24Å; E163-S167 PolarHBondContact O-N 3.5Å; E163-S167 PolarHBondContact O-OG 3.34Å; E163-S167 PolarHBondContact OE1-OG 3.44Å; A164-S167 PolarHBondContact O-N 2.76Å; C165-S167 VanDerWaalsContact C-N 3.35Å; C165-S167 PolarHBondContact O-N 3.33Å; S167-K171 VanDerWaalsContact O-CG 3.3Å; S167-K171 WeakPolarHBondContact O-CG 3.41Å; S167-K171 PolarHBondContact O-N 3.29Å
168Y98.9Very high98.3Very high8 Ų847.3 Ų47.33%0.03124%0.244CC..Hα-helixtrans-66-46.4174.2176.9-94.7000111.4D126 S128 I137 A164 C165 A166 E170 K171 C172 R182 P183D126-Y168 WeakPolarHBondContact OD2-CE2 3.25Å; S128-Y168 VanDerWaalsContact CB-CZ 3.4Å; I137-Y168 VanDerWaalsContact CG2-OH 3.29Å; I137-Y168 WeakPolarHBondContact CG2-OH 3.29Å; A164-Y168 WeakPolarHBondContact O-CB 3.42Å; A164-Y168 PolarHBondContact O-N 3.4Å; C165-Y168 PolarHBondContact O-N 3.46Å; A166-Y168 PolarHBondContact O-N 2.97Å; Y168-E170 VanDerWaalsContact C-N 3.35Å; Y168-E170 PolarHBondContact O-N 3.06Å; Y168-K171 WeakPolarHBondContact O-CB 3.47Å; Y168-K171 PolarHBondContact O-N 2.87Å; Y168-C172 PolarHBondContact O-N 3.21Å; Y168-C172 PolarHBondContact O-SG 2.77Å; Y168-R182 WeakPolarHBondContact OH-CA 3.39Å; Y168-R182 VanDerWaalsContact OH-CB 3.26Å; Y168-R182 WeakPolarHBondContact OH-CB 3.49Å; Y168-P183 HydrophobicContact CD2-CG 4.37Å; Y168-P183 HydrophobicContact CE2-CG 3.93Å; Y168-P183 WeakPolarHBondContact OH-CD 3.45Å
169L98.9Very high98.4Very high0 Ų039.6 Ų39.60%020%0.203CC..Hα-helixtrans-64.3-38.1179-70173.3000112.2T139 C165 A166 K171 C172 V195 A198 L199T139-L169 HydrophobicContact CG2-CD2 4.42Å; C165-L169 VanDerWaalsContact O-CG 3.3Å; C165-L169 WeakPolarHBondContact O-CG 3.42Å; C165-L169 PolarHBondContact O-N 3.44Å; A166-L169 PolarHBondContact O-N 3.45Å; L169-K171 VanDerWaalsContact C-N 3.33Å; L169-K171 PolarHBondContact O-N 2.69Å; L169-C172 VanDerWaalsContact O-CB 3.31Å; L169-C172 WeakPolarHBondContact O-CB 3.3Å; L169-C172 PolarHBondContact O-N 2.82Å; L169-C172 VanDerWaalsContact O-N 3.09Å; L169-V195 HydrophobicContact CB-CG1 4.18Å; L169-V195 HydrophobicContact CD2-CG2 4.01Å; L169-A198 HydrophobicContact CD1-CB 3.55Å; L169-L199 HydrophobicContact CB-CD1 4.1Å; L169-L199 HydrophobicContact CB-CD2 4.22Å; L169-L199 HydrophobicContact CB-CG 4.14Å; L169-L199 HydrophobicContact CD1-CD2 4.26Å; L169-L199 HydrophobicContact CD1-CG 4.13Å
170E98.8Very high98.4Very high76 Ų7638.3 Ų38.336%0.35520%0.195SC..Hα-helixtrans-57.4-44.5172.2-179.7178.7179.500111.8A166 Y168 C172 Q173 R207A166-E170 WeakPolarHBondContact O-CB 3.31Å; A166-E170 PolarHBondContact O-N 3.5Å; Y168-E170 VanDerWaalsContact C-N 3.35Å; Y168-E170 PolarHBondContact O-N 3.06Å; E170-C172 PolarHBondContact O-N 2.88Å; E170-C172 VanDerWaalsContact O-N 3.16Å; E170-Q173 WeakPolarHBondContact O-CB 3.29Å; E170-Q173 PolarHBondContact O-N 3.48Å; E170-Q173 VanDerWaalsContact O-N 3.11Å; E170-R207 HydrophobicContact CB-CB 4.34Å; E170-R207 HydrophobicContact CG-CB 4.04Å; E170-R207 IonicContact OE2-NH1 3.87Å; E170-R207 PolarHBondContact OE2-NH1 3.38Å
171K98.8Very high98.4Very high133 Ų13340.2 Ų40.258%0.57821%0.207SC*.THydrogen-bonded Turntrans-66.7-12.8176.8-67169.3-170.4172.20114.1S167 Y168 L169 Q173 P183S167-K171 VanDerWaalsContact O-CG 3.3Å; S167-K171 WeakPolarHBondContact O-CG 3.41Å; S167-K171 PolarHBondContact O-N 3.29Å; Y168-K171 WeakPolarHBondContact O-CB 3.47Å; Y168-K171 PolarHBondContact O-N 2.87Å; L169-K171 VanDerWaalsContact C-N 3.33Å; L169-K171 PolarHBondContact O-N 2.69Å; K171-Q173 VanDerWaalsContact C-N 3.25Å; K171-P183 HydrophobicContact CB-CB 4.2Å; K171-P183 HydrophobicContact CB-CG 3.82Å; K171-P183 WeakPolarHBondContact O-CB 3.42Å
172C98.8Very high98.4Very high0 Ų043.2 Ų43.20%021%0.212CC..THydrogen-bonded Turntrans-77.9-11.1174.9-61.80000112.3T139 Y168 L169 E170 N174 F179 G180 V195T139-C172 HydrophobicContact CG2-CB 4.24Å; Y168-C172 PolarHBondContact O-N 3.21Å; Y168-C172 PolarHBondContact O-SG 2.77Å; L169-C172 VanDerWaalsContact O-CB 3.31Å; L169-C172 WeakPolarHBondContact O-CB 3.3Å; L169-C172 PolarHBondContact O-N 2.82Å; L169-C172 VanDerWaalsContact O-N 3.09Å; E170-C172 PolarHBondContact O-N 2.88Å; E170-C172 VanDerWaalsContact O-N 3.16Å; C172-N174 PolarHBondContact O-N 3.38Å; C172-F179 VanDerWaalsContact O-CA 3.28Å; C172-F179 WeakPolarHBondContact O-CA 3.34Å; C172-G180 PolarHBondContact O-N 3.32Å; C172-G180 VanDerWaalsContact O-N 3.17Å; C172-V195 HydrophobicContact CB-CG2 4.11Å
173Q98.8Very high98.4Very high41 Ų4144.3 Ų44.319%0.19222%0.221CC..BIsolated β-bridgetrans-74.4121.3173.9-161.2171.525.600110.9E170 K171 G177 C178 F179 N209E170-Q173 WeakPolarHBondContact O-CB 3.29Å; E170-Q173 PolarHBondContact O-N 3.48Å; E170-Q173 VanDerWaalsContact O-N 3.11Å; K171-Q173 VanDerWaalsContact C-N 3.25Å; Q173-G177 PolarHBondContact NE2-O 2.93Å; Q173-C178 CarbonylContact C-O 3.44Å; Q173-C178 WeakPolarHBondContact CA-O 3.49Å; Q173-F179 HydrophobicContact CB-CD1 3.85Å; Q173-F179 HydrophobicContact CB-CE1 3.52Å; Q173-F179 HydrophobicContact CB-CZ 4.28Å; Q173-F179 HydrophobicContact CG-CD1 4.19Å; Q173-F179 HydrophobicContact CG-CE1 3.69Å; Q173-F179 HydrophobicContact CG-CZ 3.94Å; Q173-N209 PolarHBondContact NE2-O 3.12Å; Q173-N209 VanDerWaalsContact NE2-O 3.08Å
174N98.6Very high98.3Very high34 Ų3442.9 Ų42.918%0.18223%0.233CC..  trans-88.2170.4-179.3-68.5-48.9000112.4C172 D176 G177 C178 S185 S187C172-N174 PolarHBondContact O-N 3.38Å; N174-D176 VanDerWaalsContact C-N 3.26Å; N174-D176 VanDerWaalsContact CB-OD1 3.3Å; N174-D176 WeakPolarHBondContact CB-OD1 3.48Å; N174-D176 PolarHBondContact O-N 3.18Å; N174-G177 WeakPolarHBondContact O-CA 3.4Å; N174-G177 PolarHBondContact O-N 2.78Å; N174-C178 PolarHBondContact N-O 3.34Å; N174-S185 PolarHBondContact ND2-O 2.98Å; N174-S185 PolarHBondContact OD1-O 3.41Å; N174-S187 PolarHBondContact ND2-OG 3.46Å
175L96.9Very high98.2Very high167 Ų16743.1 Ų43.187%0.87423%0.233SC*.THydrogen-bonded Turntrans-60-34.8179.4-65.9177.4000113.3G177 R212L175-G177 PolarHBondContact O-N 2.83Å; L175-R212 PolarHBondContact O-NH1 2.94Å
176D96.7Very high98.2Very high70 Ų7048.7 Ų48.737%0.37426%0.259SS..THydrogen-bonded Turntrans-71.5-10.5176.370.7-14.5000113N174 C178 S187 W216N174-D176 VanDerWaalsContact C-N 3.26Å; N174-D176 VanDerWaalsContact CB-OD1 3.3Å; N174-D176 WeakPolarHBondContact CB-OD1 3.48Å; N174-D176 PolarHBondContact O-N 3.18Å; D176-C178 PolarHBondContact OD1-N 3.38Å; D176-S187 VanDerWaalsContact CG-OG 3.3Å; D176-S187 PolarHBondContact OD1-OG 2.99Å; D176-S187 VanDerWaalsContact OD2-CB 3.25Å; D176-S187 WeakPolarHBondContact OD2-CB 3.39Å; D176-S187 PolarHBondContact OD2-OG 3.07Å; D176-W216 VanDerWaalsContact O-CD1 3.31Å; D176-W216 PolarHBondContact OD2-NE1 3.41Å
177G95.3Very high98.2Very high0 Ų048.9 Ų48.90%026%0.261CS..SBendtrans105.8-13.2170.300000115.6Q173 N174 L175 A213Q173-G177 PolarHBondContact NE2-O 2.93Å; N174-G177 WeakPolarHBondContact O-CA 3.4Å; N174-G177 PolarHBondContact O-N 2.78Å; L175-G177 PolarHBondContact O-N 2.83Å; G177-A213 VanDerWaalsContact O-CA 3.32Å; G177-A213 WeakPolarHBondContact O-CA 3.46Å; G177-A213 WeakPolarHBondContact O-CB 3.39Å
178C98.3Very high98.2Very high0 Ų049.9 Ų49.90%026%0.262CS..SBendtrans-104.5-169.5179.5-171.90000110.9Q173 N174 D176 S187 W216Q173-C178 CarbonylContact C-O 3.44Å; Q173-C178 WeakPolarHBondContact CA-O 3.49Å; N174-C178 PolarHBondContact N-O 3.34Å; D176-C178 PolarHBondContact OD1-N 3.38Å; C178-S187 VanDerWaalsContact C-OG 3.27Å; C178-S187 PolarHBondContact O-OG 3.22Å; C178-W216 HydrophobicContact CB-CB 4.15Å; C178-W216 HydrophobicContact CB-CD2 3.24Å; C178-W216 HydrophobicContact CB-CE3 3.44Å; C178-W216 VanDerWaalsContact CB-CE3 3.44Å; C178-W216 HydrophobicContact CB-CG 3.56Å; C178-W216 HydrophobicContact CB-CH2 4.24Å; C178-W216 HydrophobicContact CB-CZ2 4.06Å; C178-W216 HydrophobicContact CB-CZ3 3.95Å; C178-W216 WeakPolarHBondContact SG-CZ3 3.41Å
179F98.8Very high98.2Very high0 Ų049.5 Ų49.50%026%0.26CS..BIsolated β-bridgetrans-123.6139.5-162.2-54.7-91.5000112.3C172 Q173 S187 H188 Q191 A192 V195 V196 L208 A213C172-F179 VanDerWaalsContact O-CA 3.28Å; C172-F179 WeakPolarHBondContact O-CA 3.34Å; Q173-F179 HydrophobicContact CB-CD1 3.85Å; Q173-F179 HydrophobicContact CB-CE1 3.52Å; Q173-F179 HydrophobicContact CB-CZ 4.28Å; Q173-F179 HydrophobicContact CG-CD1 4.19Å; Q173-F179 HydrophobicContact CG-CE1 3.69Å; Q173-F179 HydrophobicContact CG-CZ 3.94Å; F179-S187 CarbonylContact O-C 3.57Å; F179-S187 WeakPolarHBondContact O-CA 3.49Å; F179-H188 PolarHBondContact O-N 3.38Å; F179-Q191 WeakPolarHBondContact O-CB 3.43Å; F179-A192 HydrophobicContact CD2-CB 3.69Å; F179-A192 HydrophobicContact CE2-CB 4.38Å; F179-V195 HydrophobicContact CB-CB 4.34Å; F179-V195 HydrophobicContact CB-CG2 3.97Å; F179-V195 HydrophobicContact CD1-CB 3.85Å; F179-V195 HydrophobicContact CD1-CG1 3.44Å; F179-V195 VanDerWaalsContact CD1-CG1 3.44Å; F179-V195 HydrophobicContact CD1-CG2 3.99Å; F179-V195 HydrophobicContact CE1-CB 4.32Å; F179-V195 HydrophobicContact CE1-CG1 3.53Å; F179-V195 HydrophobicContact CG-CB 4.03Å; F179-V195 HydrophobicContact CG-CG1 4.12Å; F179-V195 HydrophobicContact CG-CG2 4.14Å; F179-V195 HydrophobicContact CZ-CG1 4.29Å; F179-V196 HydrophobicContact CE2-CG2 4.02Å; F179-V196 HydrophobicContact CZ-CG2 4.29Å; F179-L208 HydrophobicContact CE1-CD1 4.21Å; F179-L208 HydrophobicContact CE1-CD2 3.7Å; F179-L208 HydrophobicContact CE1-CG 4.48Å; F179-L208 HydrophobicContact CZ-CD1 3.82Å; F179-L208 HydrophobicContact CZ-CD2 4.02Å; F179-L208 HydrophobicContact CZ-CG 4.34Å; F179-A213 HydrophobicContact CE2-CB 3.83Å; F179-A213 HydrophobicContact CZ-CB 4.29Å
180G98.6Very high98.2Very high0 Ų050 Ų500%027%0.266CS..  trans-99175.1173.200000113.7T139 C172 R182 E186T139-G180 VanDerWaalsContact CG2-O 3.24Å; T139-G180 WeakPolarHBondContact CG2-O 3.47Å; C172-G180 PolarHBondContact O-N 3.32Å; C172-G180 VanDerWaalsContact O-N 3.17Å; G180-R182 PolarHBondContact O-N 2.59Å; G180-E186 WeakPolarHBondContact CA-O 3.36Å
181T98.3Very high98.2Very high45 Ų4547.1 Ų47.128%0.27625%0.252SS..SBendtrans-63.4-24175.655.20000114.1D138 T139 S185 Q191D138-T181 CarbonylContact C-O 3.6Å; D138-T181 WeakPolarHBondContact CA-O 3.46Å; D138-T181 WeakPolarHBondContact OD2-CG2 3.33Å; T139-T181 VanDerWaalsContact CG2-O 3.3Å; T139-T181 WeakPolarHBondContact CG2-O 3.37Å; T139-T181 PolarHBondContact N-O 3.26Å; T181-S185 WeakPolarHBondContact OG1-CB 3.27Å; T181-S185 PolarHBondContact OG1-OG 2.66Å; T181-Q191 HydrophobicContact CG2-CG 3.92Å
182R98.5Very high98.2Very high150 Ų15040.8 Ų40.857%0.56622%0.224SC*.SBendtrans-157.6167.4175.757.3178-178.9-170.50.7108Y168 G180 G184 S185Y168-R182 WeakPolarHBondContact OH-CA 3.39Å; Y168-R182 VanDerWaalsContact OH-CB 3.26Å; Y168-R182 WeakPolarHBondContact OH-CB 3.49Å; G180-R182 PolarHBondContact O-N 2.59Å; R182-G184 PolarHBondContact O-N 3.32Å; R182-S185 WeakPolarHBondContact CG-OG 3.38Å; R182-S185 WeakPolarHBondContact O-CB 3.5Å; R182-S185 PolarHBondContact O-N 3.46Å
183P98.6Very high98.2Very high58 Ų5841.1 Ų41.138%0.37723%0.226SC..THydrogen-bonded Turntrans-51.5125.7178.3-29.637.4000112.5Y168 K171 S185Y168-P183 HydrophobicContact CD2-CG 4.37Å; Y168-P183 HydrophobicContact CE2-CG 3.93Å; Y168-P183 WeakPolarHBondContact OH-CD 3.45Å; K171-P183 HydrophobicContact CB-CB 4.2Å; K171-P183 HydrophobicContact CB-CG 3.82Å; K171-P183 WeakPolarHBondContact O-CB 3.42Å; P183-S185 VanDerWaalsContact C-N 3.34Å; P183-S185 PolarHBondContact O-N 3.46Å
184G96.9Very high98.2Very high68 Ų6839.6 Ų39.670%0.70122%0.219SC*.THydrogen-bonded Turntrans81.5-2.2-179.200000116.3R182R182-G184 PolarHBondContact O-N 3.32Å
185S98.1Very high98.2Very high25 Ų2538 Ų3818%0.17521%0.211CC..SBendtrans-70.8155.1169.7-76.90000111.6N174 T181 R182 P183 S187N174-S185 PolarHBondContact ND2-O 2.98Å; N174-S185 PolarHBondContact OD1-O 3.41Å; T181-S185 WeakPolarHBondContact OG1-CB 3.27Å; T181-S185 PolarHBondContact OG1-OG 2.66Å; R182-S185 WeakPolarHBondContact CG-OG 3.38Å; R182-S185 WeakPolarHBondContact O-CB 3.5Å; R182-S185 PolarHBondContact O-N 3.46Å; P183-S185 VanDerWaalsContact C-N 3.34Å; P183-S185 PolarHBondContact O-N 3.46Å; S185-S187 PolarHBondContact O-N 2.91Å
186E98.2Very high98.3Very high118 Ų11830 Ų3055%0.55117%0.169SC*.PPolyproline II helixtrans-54.2136.4176.9-174.4-176.8-166.300112.6G180 R230G180-E186 WeakPolarHBondContact CA-O 3.36Å; E186-R230 VanDerWaalsContact OE1-CD 3.22Å; E186-R230 WeakPolarHBondContact OE1-CD 3.23Å; E186-R230 IonicContact OE1-CZ 3.01Å; E186-R230 IonicContact OE1-NE 2.87Å; E186-R230 IonicContact OE1-NH1 3.26Å; E186-R230 PolarHBondContact OE1-NH1 3.13Å; E186-R230 IonicContact OE2-CZ 3.34Å; E186-R230 IonicContact OE2-NE 3.94Å; E186-R230 IonicContact OE2-NH1 2.76Å; E186-R230 PolarHBondContact OE2-NH1 2.92Å
187S98.8Very high98.4Very high4 Ų426.7 Ų26.73%0.02815%0.151CC..PPolyproline II helixtrans-62132.8176.8-75.30000112.8N174 D176 C178 F179 S185N174-S187 PolarHBondContact ND2-OG 3.46Å; D176-S187 VanDerWaalsContact CG-OG 3.3Å; D176-S187 PolarHBondContact OD1-OG 2.99Å; D176-S187 VanDerWaalsContact OD2-CB 3.25Å; D176-S187 WeakPolarHBondContact OD2-CB 3.39Å; D176-S187 PolarHBondContact OD2-OG 3.07Å; C178-S187 VanDerWaalsContact C-OG 3.27Å; C178-S187 PolarHBondContact O-OG 3.22Å; F179-S187 CarbonylContact O-C 3.57Å; F179-S187 WeakPolarHBondContact O-CA 3.49Å; S185-S187 PolarHBondContact O-N 2.91Å
188H98.8Very high98.6Very high51 Ų5126.7 Ų26.724%0.23615%0.151CC..  trans-147.7134.4-177.5-167.7-90.7000112F179 G190 Q191 A192 G229 Y239F179-H188 PolarHBondContact O-N 3.38Å; H188-G190 VanDerWaalsContact C-N 3.29Å; H188-G190 PolarHBondContact ND1-N 2.67Å; H188-G190 VanDerWaalsContact ND1-N 3.17Å; H188-G190 PolarHBondContact O-N 3.15Å; H188-Q191 HydrophobicContact CB-CB 4.35Å; H188-Q191 HydrophobicContact CB-CG 3.98Å; H188-Q191 WeakPolarHBondContact O-CA 3.45Å; H188-Q191 WeakPolarHBondContact O-CB 3.47Å; H188-Q191 PolarHBondContact O-N 3.36Å; H188-A192 PolarHBondContact O-N 3.04Å; H188-G229 CarbonylContact C-O 3.6Å; H188-G229 WeakPolarHBondContact CA-O 3.46Å; H188-Y239 AromaticContact CE1-CE1 3.78Å; H188-Y239 AromaticContact CE1-CZ 3.86Å; H188-Y239 PolarHBondContact CE1-OH 2.89Å; H188-Y239 PolarHBondContact NE2-OH 2.98Å; H188-Y239 VanDerWaalsContact NE2-OH 3.11Å
189A98.7Very high98.6Very high0 Ų026.7 Ų26.70%015%0.151CC..Hα-helixtrans-59.5-36.6-176.200000113.5Q191 A192 Y193 W216 L217 G229 Y239 T243A189-Q191 VanDerWaalsContact C-N 3.28Å; A189-Q191 PolarHBondContact O-N 3.39Å; A189-A192 WeakPolarHBondContact O-CB 3.39Å; A189-A192 PolarHBondContact O-N 3.44Å; A189-Y193 PolarHBondContact O-N 2.86Å; A189-Y193 VanDerWaalsContact O-N 3.16Å; A189-W216 HydrophobicContact CB-CZ3 4.34Å; A189-L217 HydrophobicContact CB-CD2 3.84Å; A189-G229 PolarHBondContact N-O 3.04Å; A189-Y239 HydrophobicContact CB-CD1 3.7Å; A189-Y239 HydrophobicContact CB-CE1 3.97Å; A189-T243 WeakPolarHBondContact CB-OG1 3.47Å
190G98.6Very high98.6Very high11 Ų1126.7 Ų26.711%0.11315%0.151CC..Hα-helixtrans-61.5-35.5173.300000113.3H188 C194H188-G190 VanDerWaalsContact C-N 3.29Å; H188-G190 PolarHBondContact ND1-N 2.67Å; H188-G190 VanDerWaalsContact ND1-N 3.17Å; H188-G190 PolarHBondContact O-N 3.15Å; G190-C194 PolarHBondContact O-N 2.93Å; G190-C194 PolarHBondContact O-SG 3.42Å; G190-C194 VanDerWaalsContact O-SG 3.4Å
191Q98.7Very high98.6Very high14 Ų1427 Ų277%0.06515%0.153CC..Hα-helixtrans-77.8-31.5178-58.8-63-40.600111D138 T139 F179 T181 H188 A189 Y193 C194 V195D138-Q191 PolarHBondContact OD1-NE2 3.49Å; D138-Q191 PolarHBondContact OD1-OE1 3.29Å; T139-Q191 PolarHBondContact OG1-OE1 3.48Å; F179-Q191 WeakPolarHBondContact O-CB 3.43Å; T181-Q191 HydrophobicContact CG2-CG 3.92Å; H188-Q191 HydrophobicContact CB-CB 4.35Å; H188-Q191 HydrophobicContact CB-CG 3.98Å; H188-Q191 WeakPolarHBondContact O-CA 3.45Å; H188-Q191 WeakPolarHBondContact O-CB 3.47Å; H188-Q191 PolarHBondContact O-N 3.36Å; A189-Q191 VanDerWaalsContact C-N 3.28Å; A189-Q191 PolarHBondContact O-N 3.39Å; Q191-Y193 VanDerWaalsContact C-N 3.31Å; Q191-Y193 PolarHBondContact O-N 3.28Å; Q191-C194 PolarHBondContact O-N 3.17Å; Q191-V195 WeakPolarHBondContact O-CG2 3.5Å; Q191-V195 PolarHBondContact O-N 2.93Å
192A98.9Very high98.7Very high0 Ų025.6 Ų25.60%014%0.144CC..Hα-helixtrans-56.5-46.7170.200000111.4F179 H188 A189 C194 V195 V196 L217 T246F179-A192 HydrophobicContact CD2-CB 3.69Å; F179-A192 HydrophobicContact CE2-CB 4.38Å; H188-A192 PolarHBondContact O-N 3.04Å; A189-A192 WeakPolarHBondContact O-CB 3.39Å; A189-A192 PolarHBondContact O-N 3.44Å; A192-C194 PolarHBondContact O-N 3.19Å; A192-V195 PolarHBondContact O-N 2.98Å; A192-V196 WeakPolarHBondContact O-CB 3.47Å; A192-V196 WeakPolarHBondContact O-CG2 3.23Å; A192-V196 PolarHBondContact O-N 3.27Å; A192-L217 HydrophobicContact CB-CD1 4.3Å; A192-L217 HydrophobicContact CB-CD2 4.08Å; A192-T246 HydrophobicContact CB-CG2 4.38Å
193Y98.9Very high98.7Very high7 Ų725.7 Ų25.73%0.02714%0.144CC..Hα-helixtrans-58.8-46.9175.1171.5-98.2000112.4F143 A189 Q191 V195 G197 W241 W242 A245 T246 P339 V340F143-Y193 HydrophobicContact CD1-CE1 4.46Å; F143-Y193 AromaticContact CE1-CE1 3.92Å; F143-Y193 HydrophobicContact CE1-CE1 3.92Å; F143-Y193 HydrophobicContact CE2-CE1 4.29Å; F143-Y193 AromaticContact CZ-CE1 3.82Å; F143-Y193 HydrophobicContact CZ-CE1 3.82Å; F143-Y193 AromaticContact CZ-CZ 3.89Å; F143-Y193 WeakPolarHBondContact CZ-OH 3.45Å; A189-Y193 PolarHBondContact O-N 2.86Å; A189-Y193 VanDerWaalsContact O-N 3.16Å; Q191-Y193 VanDerWaalsContact C-N 3.31Å; Q191-Y193 PolarHBondContact O-N 3.28Å; Y193-V195 PolarHBondContact O-N 2.83Å; Y193-G197 WeakPolarHBondContact O-CA 3.41Å; Y193-G197 PolarHBondContact O-N 3.45Å; Y193-W241 HydrophobicContact CE2-CZ2 4.2Å; Y193-W241 AromaticContact CE2-NE1 3.65Å; Y193-W241 AromaticContact CZ-NE1 3.59Å; Y193-W242 AromaticContact CD1-CE3 3.3Å; Y193-W242 HydrophobicContact CD1-CE3 3.3Å; Y193-W242 AromaticContact CD1-CZ3 3.35Å; Y193-W242 HydrophobicContact CD1-CZ3 3.35Å; Y193-W242 HydrophobicContact CD2-CE3 4.24Å; Y193-W242 AromaticContact CE1-CE3 3.79Å; Y193-W242 HydrophobicContact CE1-CE3 3.79Å; Y193-W242 AromaticContact CE1-CZ3 3.38Å; Y193-W242 HydrophobicContact CE1-CZ3 3.38Å; Y193-W242 AromaticContact CG-CE3 3.55Å; Y193-W242 HydrophobicContact CG-CE3 3.55Å; Y193-W242 HydrophobicContact CG-CZ3 4.06Å; Y193-A245 HydrophobicContact CD2-CB 3.92Å; Y193-A245 HydrophobicContact CE2-CB 3.95Å; Y193-T246 VanDerWaalsContact CA-OG1 3.24Å; Y193-T246 WeakPolarHBondContact CA-OG1 3.37Å; Y193-T246 PolarHBondContact N-OG1 3.38Å; Y193-P339 WeakPolarHBondContact CE2-O 3.34Å; Y193-V340 PolarHBondContact OH-O 2.7Å
194C98.9Very high98.7Very high9 Ų924.8 Ų24.86%0.06114%0.135CC..Hα-helixtrans-62.6-46.2-179.3-65.20000112.2T139 F143 G190 Q191 A192 A198T139-C194 WeakPolarHBondContact OG1-CB 3.42Å; F143-C194 HydrophobicContact CB-CB 3.9Å; G190-C194 PolarHBondContact O-N 2.93Å; G190-C194 PolarHBondContact O-SG 3.42Å; G190-C194 VanDerWaalsContact O-SG 3.4Å; Q191-C194 PolarHBondContact O-N 3.17Å; A192-C194 PolarHBondContact O-N 3.19Å; C194-A198 VanDerWaalsContact O-CB 3.25Å; C194-A198 WeakPolarHBondContact O-CB 3.45Å; C194-A198 PolarHBondContact O-N 3.21Å
195V98.9Very high98.8Very high0 Ų021.5 Ų21.50%010%0.101CC..Hα-helixtrans-64.5-50.4178.2171.40000111.4T139 L169 C172 F179 Q191 A192 Y193 A198 L199T139-V195 HydrophobicContact CG2-CG2 3.74Å; L169-V195 HydrophobicContact CB-CG1 4.18Å; L169-V195 HydrophobicContact CD2-CG2 4.01Å; C172-V195 HydrophobicContact CB-CG2 4.11Å; F179-V195 HydrophobicContact CB-CB 4.34Å; F179-V195 HydrophobicContact CB-CG2 3.97Å; F179-V195 HydrophobicContact CD1-CB 3.85Å; F179-V195 HydrophobicContact CD1-CG1 3.44Å; F179-V195 VanDerWaalsContact CD1-CG1 3.44Å; F179-V195 HydrophobicContact CD1-CG2 3.99Å; F179-V195 HydrophobicContact CE1-CB 4.32Å; F179-V195 HydrophobicContact CE1-CG1 3.53Å; F179-V195 HydrophobicContact CG-CB 4.03Å; F179-V195 HydrophobicContact CG-CG1 4.12Å; F179-V195 HydrophobicContact CG-CG2 4.14Å; F179-V195 HydrophobicContact CZ-CG1 4.29Å; Q191-V195 WeakPolarHBondContact O-CG2 3.5Å; Q191-V195 PolarHBondContact O-N 2.93Å; A192-V195 PolarHBondContact O-N 2.98Å; Y193-V195 PolarHBondContact O-N 2.83Å; V195-A198 PolarHBondContact O-N 3.24Å; V195-L199 HydrophobicContact CG1-CD1 3.81Å; V195-L199 WeakPolarHBondContact O-CB 3.39Å; V195-L199 WeakPolarHBondContact O-CG 3.3Å; V195-L199 PolarHBondContact O-N 3Å
196V98.9Very high98.8Very high0 Ų026.5 Ų26.50%012%0.122CC..Hα-helixtrans-69.2-42.3-1761730000111F179 A192 A198 L199 A200 L205 L208 T246 I249 F250F179-V196 HydrophobicContact CE2-CG2 4.02Å; F179-V196 HydrophobicContact CZ-CG2 4.29Å; A192-V196 WeakPolarHBondContact O-CB 3.47Å; A192-V196 WeakPolarHBondContact O-CG2 3.23Å; A192-V196 PolarHBondContact O-N 3.27Å; V196-A198 PolarHBondContact O-N 2.81Å; V196-L199 PolarHBondContact O-N 2.8Å; V196-A200 VanDerWaalsContact O-CB 3.23Å; V196-A200 WeakPolarHBondContact O-CB 3.33Å; V196-A200 PolarHBondContact O-N 2.93Å; V196-L205 HydrophobicContact CG1-CD2 3.96Å; V196-L208 HydrophobicContact CG2-CD1 4.03Å; V196-T246 HydrophobicContact CB-CG2 3.95Å; V196-T246 HydrophobicContact CG1-CG2 4.02Å; V196-T246 HydrophobicContact CG2-CG2 3.8Å; V196-I249 HydrophobicContact CG1-CB 4.07Å; V196-I249 HydrophobicContact CG1-CD1 4.06Å; V196-I249 HydrophobicContact CG1-CG2 3.64Å; V196-F250 HydrophobicContact CB-CE1 4.24Å; V196-F250 HydrophobicContact CB-CZ 4.26Å; V196-F250 HydrophobicContact CG1-CD1 4.08Å; V196-F250 HydrophobicContact CG1-CE1 3.44Å; V196-F250 VanDerWaalsContact CG1-CE1 3.44Å; V196-F250 HydrophobicContact CG1-CZ 3.89Å; V196-F250 HydrophobicContact CG2-CE1 3.71Å; V196-F250 HydrophobicContact CG2-CE2 4.28Å; V196-F250 HydrophobicContact CG2-CZ 3.33Å
197G98.9Very high98.8Very high0 Ų023.3 Ų23.30%010%0.104CC..Hα-helixtrans-60.5-44.3175.800000112Y193 A200 I201Y193-G197 WeakPolarHBondContact O-CA 3.41Å; Y193-G197 PolarHBondContact O-N 3.45Å; G197-A200 PolarHBondContact O-N 3.24Å; G197-I201 WeakPolarHBondContact O-CG1 3.47Å; G197-I201 PolarHBondContact O-N 3.17Å; G197-I201 VanDerWaalsContact O-N 3.12Å
198A99Very high98.8Very high0 Ų023.8 Ų23.80%011%0.107CC..Hα-helixtrans-63.5-48.2176.200000111.1F143 L169 C194 V195 V196 A200 I201 L202F143-A198 HydrophobicContact CB-CB 4.49Å; F143-A198 HydrophobicContact CD2-CB 4.37Å; L169-A198 HydrophobicContact CD1-CB 3.55Å; C194-A198 VanDerWaalsContact O-CB 3.25Å; C194-A198 WeakPolarHBondContact O-CB 3.45Å; C194-A198 PolarHBondContact O-N 3.21Å; V195-A198 PolarHBondContact O-N 3.24Å; V196-A198 PolarHBondContact O-N 2.81Å; A198-A200 VanDerWaalsContact C-N 3.3Å; A198-A200 PolarHBondContact O-N 3.23Å; A198-I201 WeakPolarHBondContact O-CB 3.31Å; A198-I201 PolarHBondContact O-N 2.91Å; A198-L202 WeakPolarHBondContact O-CG 2.95Å; A198-L202 PolarHBondContact O-N 3.33Å
199L98.9Very high98.8Very high0 Ų024.6 Ų24.60%011%0.113CC..Hα-helixtrans-67.8-27.8179.1-70.7170.8000113A166 L169 V195 V196 L202 R203 Q204 L205 L208A166-L199 HydrophobicContact CB-CD2 3.89Å; L169-L199 HydrophobicContact CB-CD1 4.1Å; L169-L199 HydrophobicContact CB-CD2 4.22Å; L169-L199 HydrophobicContact CB-CG 4.14Å; L169-L199 HydrophobicContact CD1-CD2 4.26Å; L169-L199 HydrophobicContact CD1-CG 4.13Å; V195-L199 HydrophobicContact CG1-CD1 3.81Å; V195-L199 WeakPolarHBondContact O-CB 3.39Å; V195-L199 WeakPolarHBondContact O-CG 3.3Å; V195-L199 PolarHBondContact O-N 3Å; V196-L199 PolarHBondContact O-N 2.8Å; L199-L202 PolarHBondContact O-N 2.65Å; L199-R203 WeakPolarHBondContact O-CA 3.5Å; L199-R203 PolarHBondContact O-N 2.89Å; L199-Q204 HydrophobicContact CD2-CB 3.65Å; L199-Q204 PolarHBondContact O-N 3.08Å; L199-L205 HydrophobicContact CB-CD2 3.86Å; L199-L208 HydrophobicContact CD1-CD1 3.7Å; L199-L208 HydrophobicContact CD1-CD2 3.59Å; L199-L208 HydrophobicContact CD1-CG 3.79Å
200A98.9Very high98.8Very high0 Ų025.7 Ų25.70%012%0.118CC..Hα-helixtrans-65.8-41.4171.800000111.5V196 G197 A198 R203 L205 I249 V340 Q356V196-A200 VanDerWaalsContact O-CB 3.23Å; V196-A200 WeakPolarHBondContact O-CB 3.33Å; V196-A200 PolarHBondContact O-N 2.93Å; G197-A200 PolarHBondContact O-N 3.24Å; A198-A200 VanDerWaalsContact C-N 3.3Å; A198-A200 PolarHBondContact O-N 3.23Å; A200-R203 PolarHBondContact O-N 2.77Å; A200-L205 HydrophobicContact CB-CD1 4.25Å; A200-L205 HydrophobicContact CB-CD2 4.3Å; A200-L205 HydrophobicContact CB-CG 4.39Å; A200-I249 HydrophobicContact CB-CG2 3.99Å; A200-V340 HydrophobicContact CB-CG1 4.5Å; A200-V340 HydrophobicContact CB-CG2 4.12Å; A200-Q356 WeakPolarHBondContact CB-O 3.17Å; A200-Q356 PolarHBondContact O-N 2.84Å
201I98.9Very high98.8Very high6 Ų628.9 Ų28.93%0.03113%0.133CC..Hα-helixtrans-65-46173.5-66.1164.8000110.7F143 V146 A147 H150 L155 G197 A198 R203 V340 L341 F355F143-I201 HydrophobicContact CE2-CD1 4.41Å; V146-I201 HydrophobicContact CG1-CB 3.68Å; V146-I201 HydrophobicContact CG1-CD1 4Å; V146-I201 HydrophobicContact CG1-CG1 4.44Å; V146-I201 HydrophobicContact CG1-CG2 3.44Å; V146-I201 VanDerWaalsContact CG1-CG2 3.44Å; A147-I201 HydrophobicContact CB-CD1 4.01Å; H150-I201 HydrophobicContact CB-CG2 3.65Å; H150-I201 VanDerWaalsContact CG-CG2 3.49Å; L155-I201 HydrophobicContact CD2-CG2 3.48Å; L155-I201 VanDerWaalsContact CD2-CG2 3.48Å; G197-I201 WeakPolarHBondContact O-CG1 3.47Å; G197-I201 PolarHBondContact O-N 3.17Å; G197-I201 VanDerWaalsContact O-N 3.12Å; A198-I201 WeakPolarHBondContact O-CB 3.31Å; A198-I201 PolarHBondContact O-N 2.91Å; I201-R203 PolarHBondContact O-N 3.49Å; I201-V340 HydrophobicContact CD1-CG1 3.96Å; I201-V340 HydrophobicContact CG1-CG1 3.7Å; I201-L341 HydrophobicContact CD1-CD2 3.99Å; I201-F355 HydrophobicContact CG1-CD1 3.69Å; I201-F355 HydrophobicContact CG1-CE1 3.77Å
202L98.8Very high98.8Very high16 Ų1633.8 Ų33.88%0.08415%0.151CC..Hα-helixtrans-70.7-10.2178.6-60.4-177.3000113.1V146 L155 I162 C165 A166 A198 L199 Q204V146-L202 HydrophobicContact CG1-CD2 3.78Å; V146-L202 HydrophobicContact CG1-CG 4.04Å; V146-L202 HydrophobicContact CG2-CD1 4.39Å; V146-L202 HydrophobicContact CG2-CD2 4.2Å; V146-L202 HydrophobicContact CG2-CG 4.44Å; L155-L202 HydrophobicContact CD1-CD2 4.04Å; L155-L202 HydrophobicContact CD2-CD2 3.98Å; L155-L202 HydrophobicContact CG-CD2 4.48Å; I162-L202 HydrophobicContact CG1-CD2 4.43Å; I162-L202 HydrophobicContact CG2-CD1 4.43Å; I162-L202 HydrophobicContact CG2-CD2 4Å; C165-L202 HydrophobicContact CB-CD1 4.48Å; A166-L202 HydrophobicContact CB-CD1 4.18Å; A198-L202 WeakPolarHBondContact O-CG 2.95Å; A198-L202 PolarHBondContact O-N 3.33Å; L199-L202 PolarHBondContact O-N 2.65Å; L202-Q204 VanDerWaalsContact C-N 3.33Å; L202-Q204 HydrophobicContact CB-CB 4.31Å; L202-Q204 HydrophobicContact CB-CG 3.88Å; L202-Q204 WeakPolarHBondContact O-CG 3.5Å
203R98.6Very high98.8Very high153 Ų15333.8 Ų33.858%0.57715%0.151SC*.THydrogen-bonded Turntrans58.143-173.7-44.5-174.583.6-109.22.6112.5L199 A200 I201 Q356L199-R203 WeakPolarHBondContact O-CA 3.5Å; L199-R203 PolarHBondContact O-N 2.89Å; A200-R203 PolarHBondContact O-N 2.77Å; I201-R203 PolarHBondContact O-N 3.49Å; R203-Q356 VanDerWaalsContact CA-OE1 3.32Å; R203-Q356 HydrophobicContact CB-CB 4.18Å; R203-Q356 HydrophobicContact CG-CB 4.35Å; R203-Q356 PolarHBondContact O-OE1 3.08Å
204Q98.8Very high98.8Very high38 Ų3833.5 Ų33.518%0.17815%0.149CC..  trans-121.221.3-174.9-64.4-60.1-60.700113.2A166 L199 L202 H206 R207A166-Q204 HydrophobicContact CB-CB 4.24Å; A166-Q204 HydrophobicContact CB-CG 3.98Å; L199-Q204 HydrophobicContact CD2-CB 3.65Å; L199-Q204 PolarHBondContact O-N 3.08Å; L202-Q204 VanDerWaalsContact C-N 3.33Å; L202-Q204 HydrophobicContact CB-CB 4.31Å; L202-Q204 HydrophobicContact CB-CG 3.88Å; L202-Q204 WeakPolarHBondContact O-CG 3.5Å; Q204-H206 PolarHBondContact O-N 3.46Å; Q204-H206 VanDerWaalsContact O-N 3.14Å; Q204-H206 PolarHBondContact OE1-CE1 2.75Å; Q204-H206 VanDerWaalsContact OE1-CE1 3.29Å; Q204-R207 WeakPolarHBondContact O-CB 3.16Å; Q204-R207 WeakPolarHBondContact O-CG 3.22Å; Q204-R207 PolarHBondContact O-N 3.17Å; Q204-R207 VanDerWaalsContact OE1-CZ 3.29Å
205L98.8Very high98.7Very high0 Ų039.6 Ų39.60%017%0.171CC..G310 helixtrans-61-24180-67.3-179.1000113.7V196 L199 A200 R207 L208 I210 I249 Q356 L358V196-L205 HydrophobicContact CG1-CD2 3.96Å; L199-L205 HydrophobicContact CB-CD2 3.86Å; A200-L205 HydrophobicContact CB-CD1 4.25Å; A200-L205 HydrophobicContact CB-CD2 4.3Å; A200-L205 HydrophobicContact CB-CG 4.39Å; L205-R207 PolarHBondContact O-N 2.94Å; L205-L208 HydrophobicContact CD2-CD1 4.24Å; L205-L208 PolarHBondContact O-N 3.11Å; L205-I210 HydrophobicContact CB-CD1 4.26Å; L205-I249 HydrophobicContact CD1-CG2 3.69Å; L205-Q356 HydrophobicContact CD1-CB 4.27Å; L205-Q356 HydrophobicContact CD1-CG 4.03Å; L205-Q356 WeakPolarHBondContact CD1-O 3.13Å; L205-Q356 HydrophobicContact CG-CG 4.36Å; L205-L358 HydrophobicContact CD1-CD1 4.27Å; L205-L358 HydrophobicContact CD1-CG 4.04Å
206H98.4Very high98.7Very high130 Ų13040 Ų4060%0.60217%0.173SC*.G310 helixtrans-61.6-13.5178.865.8-87.3000114.2Q204 L208Q204-H206 PolarHBondContact O-N 3.46Å; Q204-H206 VanDerWaalsContact O-N 3.14Å; Q204-H206 PolarHBondContact OE1-CE1 2.75Å; Q204-H206 VanDerWaalsContact OE1-CE1 3.29Å; H206-L208 VanDerWaalsContact C-N 3.31Å
207R98.5Very high98.7Very high50 Ų5040 Ų4019%0.18917%0.173CC..G310 helixtrans-73.8-22.8175.2-65.6177.8-178-100-0.4113.3E163 E170 Q204 L205E163-R207 IonicContact OE1-CZ 2.83Å; E163-R207 VanDerWaalsContact OE1-CZ 3.26Å; E163-R207 IonicContact OE1-NH1 2.74Å; E163-R207 PolarHBondContact OE1-NH1 2.78Å; E163-R207 IonicContact OE1-NH2 3.32Å; E163-R207 PolarHBondContact OE1-NH2 3.01Å; E163-R207 IonicContact OE2-CZ 3.92Å; E163-R207 IonicContact OE2-NH2 3.04Å; E163-R207 PolarHBondContact OE2-NH2 3.47Å; E170-R207 HydrophobicContact CB-CB 4.34Å; E170-R207 HydrophobicContact CG-CB 4.04Å; E170-R207 IonicContact OE2-NH1 3.87Å; E170-R207 PolarHBondContact OE2-NH1 3.38Å; Q204-R207 WeakPolarHBondContact O-CB 3.16Å; Q204-R207 WeakPolarHBondContact O-CG 3.22Å; Q204-R207 PolarHBondContact O-N 3.17Å; Q204-R207 VanDerWaalsContact OE1-CZ 3.29Å; L205-R207 PolarHBondContact O-N 2.94Å
208L98.8Very high98.7Very high14 Ų1440.8 Ų40.87%0.07318%0.179CC..SBendtrans-93.2151.2-171.3-53.7-179.9000111.3F179 V196 L199 L205 H206 I210F179-L208 HydrophobicContact CE1-CD1 4.21Å; F179-L208 HydrophobicContact CE1-CD2 3.7Å; F179-L208 HydrophobicContact CE1-CG 4.48Å; F179-L208 HydrophobicContact CZ-CD1 3.82Å; F179-L208 HydrophobicContact CZ-CD2 4.02Å; F179-L208 HydrophobicContact CZ-CG 4.34Å; V196-L208 HydrophobicContact CG2-CD1 4.03Å; L199-L208 HydrophobicContact CD1-CD1 3.7Å; L199-L208 HydrophobicContact CD1-CD2 3.59Å; L199-L208 HydrophobicContact CD1-CG 3.79Å; L205-L208 HydrophobicContact CD2-CD1 4.24Å; L205-L208 PolarHBondContact O-N 3.11Å; H206-L208 VanDerWaalsContact C-N 3.31Å; L208-I210 VanDerWaalsContact C-N 3.3Å; L208-I210 HydrophobicContact CB-CD1 3.84Å; L208-I210 HydrophobicContact CB-CG1 4.41Å; L208-I210 HydrophobicContact CD1-CD1 4.26Å; L208-I210 PolarHBondContact O-N 3.07Å
209N98.5Very high98.6Very high69 Ų6945.8 Ų45.837%0.36920%0.203SC..  trans-77.985.4160.1-167-32000109.8Q173 R212 A213Q173-N209 PolarHBondContact NE2-O 3.12Å; Q173-N209 VanDerWaalsContact NE2-O 3.08Å; N209-R212 HydrophobicContact CB-CB 4.21Å; N209-R212 PolarHBondContact O-N 3.11Å; N209-R212 VanDerWaalsContact OD1-CB 3.24Å; N209-R212 WeakPolarHBondContact OD1-CB 3.33Å; N209-R212 PolarHBondContact OD1-N 3.24Å; N209-A213 PolarHBondContact O-N 2.83Å; N209-A213 VanDerWaalsContact O-N 3.09Å
210I98.6Very high98.6Very high22 Ų2246.9 Ų46.911%0.11321%0.207CC..Hα-helixtrans-60.1-52.4-172.2-61.7-67.5000112.5L205 L208 R212 A213 A214 F250 L358L205-I210 HydrophobicContact CB-CD1 4.26Å; L208-I210 VanDerWaalsContact C-N 3.3Å; L208-I210 HydrophobicContact CB-CD1 3.84Å; L208-I210 HydrophobicContact CB-CG1 4.41Å; L208-I210 HydrophobicContact CD1-CD1 4.26Å; L208-I210 PolarHBondContact O-N 3.07Å; I210-R212 VanDerWaalsContact C-N 3.29Å; I210-R212 PolarHBondContact O-N 2.99Å; I210-A213 PolarHBondContact O-N 3.18Å; I210-A214 WeakPolarHBondContact O-CB 3.3Å; I210-A214 PolarHBondContact O-N 2.74Å; I210-F250 HydrophobicContact CD1-CD1 3.63Å; I210-F250 HydrophobicContact CD1-CE1 3.22Å; I210-F250 HydrophobicContact CD1-CZ 3.91Å; I210-F250 HydrophobicContact CG1-CE1 4.48Å; I210-F250 HydrophobicContact CG2-CB 3.93Å; I210-F250 HydrophobicContact CG2-CD1 3.72Å; I210-F250 HydrophobicContact CG2-CD2 4.22Å; I210-F250 HydrophobicContact CG2-CE1 4.18Å; I210-F250 HydrophobicContact CG2-CG 3.72Å; I210-L358 HydrophobicContact CD1-CD1 3.97Å; I210-L358 HydrophobicContact CG1-CD1 3.92Å; I210-L358 HydrophobicContact CG2-CD1 3.97Å
211D98.5Very high98.6Very high78 Ų7848.6 Ų48.642%0.41722%0.215SC..Hα-helixtrans-67.5-32.5-175.2-74.1-25.7000111.7W215 R252 W255D211-W215 VanDerWaalsContact O-CB 3.32Å; D211-W215 WeakPolarHBondContact O-CB 3.28Å; D211-W215 PolarHBondContact O-N 3.36Å; D211-R252 IonicContact OD1-CZ 3.95Å; D211-R252 IonicContact OD1-NE 3.62Å; D211-R252 PolarHBondContact OD1-NE 3.17Å; D211-R252 IonicContact OD1-NH2 2.7Å; D211-R252 PolarHBondContact OD1-NH2 2.93Å; D211-R252 IonicContact OD2-NH2 3.41Å; D211-W255 HydrophobicContact CB-CH2 4.25Å
212R98.5Very high98.5Very high118 Ų11849.4 Ų49.445%0.44522%0.219SC..Hα-helixtrans-67.5-42.7174-164.8-173.5-69.3-179.3-0.3111.7L175 N209 I210 W215 W216L175-R212 PolarHBondContact O-NH1 2.94Å; N209-R212 HydrophobicContact CB-CB 4.21Å; N209-R212 PolarHBondContact O-N 3.11Å; N209-R212 VanDerWaalsContact OD1-CB 3.24Å; N209-R212 WeakPolarHBondContact OD1-CB 3.33Å; N209-R212 PolarHBondContact OD1-N 3.24Å; I210-R212 VanDerWaalsContact C-N 3.29Å; I210-R212 PolarHBondContact O-N 2.99Å; R212-W215 PolarHBondContact O-N 2.87Å; R212-W216 PolarHBondContact O-N 3.16Å
213A98.8Very high98.4Very high0 Ų053.5 Ų53.50%025%0.246CC..Hα-helixtrans-63.1-45.2175.100000111.5G177 F179 N209 I210 W215 W216 L217 F250G177-A213 VanDerWaalsContact O-CA 3.32Å; G177-A213 WeakPolarHBondContact O-CA 3.46Å; G177-A213 WeakPolarHBondContact O-CB 3.39Å; F179-A213 HydrophobicContact CE2-CB 3.83Å; F179-A213 HydrophobicContact CZ-CB 4.29Å; N209-A213 PolarHBondContact O-N 2.83Å; N209-A213 VanDerWaalsContact O-N 3.09Å; I210-A213 PolarHBondContact O-N 3.18Å; A213-W215 VanDerWaalsContact C-N 3.35Å; A213-W215 PolarHBondContact O-N 3.18Å; A213-W216 PolarHBondContact O-N 3.25Å; A213-L217 WeakPolarHBondContact O-CB 3.5Å; A213-L217 VanDerWaalsContact O-CG 3.31Å; A213-L217 WeakPolarHBondContact O-CG 3.12Å; A213-L217 PolarHBondContact O-N 2.87Å; A213-F250 HydrophobicContact CB-CE2 3.73Å; A213-F250 HydrophobicContact CB-CZ 4.04Å
214A98.8Very high98.3Very high0 Ų046.8 Ų46.80%022%0.223CC..Hα-helixtrans-61.5-41.9177.300000112I210 L217 A218 L247 F250 R252 W255I210-A214 WeakPolarHBondContact O-CB 3.3Å; I210-A214 PolarHBondContact O-N 2.74Å; A214-L217 PolarHBondContact O-N 3.23Å; A214-A218 WeakPolarHBondContact O-CB 3.24Å; A214-A218 PolarHBondContact O-N 3.04Å; A214-L247 HydrophobicContact CB-CD2 3.94Å; A214-F250 HydrophobicContact CB-CD2 3.92Å; A214-R252 HydrophobicContact CB-CB 3.91Å; A214-R252 HydrophobicContact CB-CG 3.75Å; A214-W255 HydrophobicContact CB-CE3 3.97Å; A214-W255 HydrophobicContact CB-CH2 4.5Å; A214-W255 HydrophobicContact CB-CZ3 3.77Å
215W98.7Very high98.3Very high137 Ų13745 Ų4552%0.51922%0.215SC..Hα-helixtrans-61.9-49.9175.117373.7000111.3D211 R212 A213 L217 A218 E219 W255D211-W215 VanDerWaalsContact O-CB 3.32Å; D211-W215 WeakPolarHBondContact O-CB 3.28Å; D211-W215 PolarHBondContact O-N 3.36Å; R212-W215 PolarHBondContact O-N 2.87Å; A213-W215 VanDerWaalsContact C-N 3.35Å; A213-W215 PolarHBondContact O-N 3.18Å; W215-L217 PolarHBondContact O-N 2.83Å; W215-A218 PolarHBondContact O-N 3.14Å; W215-A218 VanDerWaalsContact O-N 3.09Å; W215-E219 HydrophobicContact CD2-CG 4.16Å; W215-E219 HydrophobicContact CH2-CG 4.47Å; W215-E219 HydrophobicContact CZ2-CG 3.76Å; W215-E219 PolarHBondContact NE1-OE1 3.45Å; W215-E219 VanDerWaalsContact NE1-OE1 3.17Å; W215-E219 WeakPolarHBondContact O-CG 3.4Å; W215-E219 PolarHBondContact O-N 3.39Å; W215-W255 HydrophobicContact CB-CZ3 4.1Å
216W98.7Very high98.2Very high9 Ų945 Ų453%0.03422%0.215CC..Hα-helixtrans-56.7-39.1179-173.8106.2000112.3D176 C178 A189 R212 A213 R220 G229 R230D176-W216 VanDerWaalsContact O-CD1 3.31Å; D176-W216 PolarHBondContact OD2-NE1 3.41Å; C178-W216 HydrophobicContact CB-CB 4.15Å; C178-W216 HydrophobicContact CB-CD2 3.24Å; C178-W216 HydrophobicContact CB-CE3 3.44Å; C178-W216 VanDerWaalsContact CB-CE3 3.44Å; C178-W216 HydrophobicContact CB-CG 3.56Å; C178-W216 HydrophobicContact CB-CH2 4.24Å; C178-W216 HydrophobicContact CB-CZ2 4.06Å; C178-W216 HydrophobicContact CB-CZ3 3.95Å; C178-W216 WeakPolarHBondContact SG-CZ3 3.41Å; A189-W216 HydrophobicContact CB-CZ3 4.34Å; R212-W216 PolarHBondContact O-N 3.16Å; A213-W216 PolarHBondContact O-N 3.25Å; W216-R220 HydrophobicContact CE3-CG 4.09Å; W216-R220 VanDerWaalsContact CZ3-CD 3.43Å; W216-R220 HydrophobicContact CZ3-CG 3.83Å; W216-R220 PolarHBondContact O-NE 3.42Å; W216-R220 VanDerWaalsContact O-NE 3.09Å; W216-G229 WeakPolarHBondContact CH2-O 3.07Å; W216-R230 HydrophobicContact CH2-CB 4.48Å
217L98.8Very high98.3Very high0 Ų038.9 Ų38.90%019%0.187CC..Hα-helixtrans-70-40.7176.8-76171.1000112.7A189 A192 A213 A214 W215 E219 R220 T243 T246 L247 F250A189-L217 HydrophobicContact CB-CD2 3.84Å; A192-L217 HydrophobicContact CB-CD1 4.3Å; A192-L217 HydrophobicContact CB-CD2 4.08Å; A213-L217 WeakPolarHBondContact O-CB 3.5Å; A213-L217 VanDerWaalsContact O-CG 3.31Å; A213-L217 WeakPolarHBondContact O-CG 3.12Å; A213-L217 PolarHBondContact O-N 2.87Å; A214-L217 PolarHBondContact O-N 3.23Å; W215-L217 PolarHBondContact O-N 2.83Å; L217-E219 VanDerWaalsContact C-N 3.32Å; L217-E219 PolarHBondContact O-N 3.14Å; L217-R220 WeakPolarHBondContact O-CB 3.39Å; L217-R220 VanDerWaalsContact O-CG 3.32Å; L217-R220 WeakPolarHBondContact O-CG 3.21Å; L217-R220 PolarHBondContact O-N 3.23Å; L217-R220 VanDerWaalsContact O-N 3.11Å; L217-T243 HydrophobicContact CB-CG2 3.95Å; L217-T243 HydrophobicContact CD2-CG2 4.07Å; L217-T246 HydrophobicContact CD1-CG2 3.39Å; L217-L247 HydrophobicContact CB-CD2 4.07Å; L217-L247 HydrophobicContact CB-CG 4.33Å; L217-L247 HydrophobicContact CD1-CD2 4.5Å; L217-F250 HydrophobicContact CD1-CE2 4.35Å
218A98.5Very high98.3Very high16 Ų1636.7 Ų36.713%0.13218%0.179CC..Hα-helixtrans-64.5-37.9176.600000111.8A214 W215 R220 Q221 W255 I256A214-A218 WeakPolarHBondContact O-CB 3.24Å; A214-A218 PolarHBondContact O-N 3.04Å; W215-A218 PolarHBondContact O-N 3.14Å; W215-A218 VanDerWaalsContact O-N 3.09Å; A218-R220 PolarHBondContact O-N 3.34Å; A218-R220 VanDerWaalsContact O-N 3.09Å; A218-Q221 PolarHBondContact O-N 2.89Å; A218-Q221 VanDerWaalsContact O-N 3.09Å; A218-W255 HydrophobicContact CB-CB 4.1Å; A218-I256 HydrophobicContact CB-CG2 4.02Å
219E97.5Very high98.2Very high105 Ų10536.1 Ų36.149%0.49118%0.176SC..THydrogen-bonded Turntrans-68.1-2173.9-64.7-65.4148.200113.7W215 L217 Q221W215-E219 HydrophobicContact CD2-CG 4.16Å; W215-E219 HydrophobicContact CH2-CG 4.47Å; W215-E219 HydrophobicContact CZ2-CG 3.76Å; W215-E219 PolarHBondContact NE1-OE1 3.45Å; W215-E219 VanDerWaalsContact NE1-OE1 3.17Å; W215-E219 WeakPolarHBondContact O-CG 3.4Å; W215-E219 PolarHBondContact O-N 3.39Å; L217-E219 VanDerWaalsContact C-N 3.32Å; L217-E219 PolarHBondContact O-N 3.14Å; E219-Q221 VanDerWaalsContact C-N 3.28Å
220R97.7Very high98.1Very high24 Ų2436.3 Ų36.39%0.09117%0.172CC..THydrogen-bonded Turntrans-77.2-15.3169.2-58.3-57.690.7-137.61.7112.6W216 L217 A218 L222 L227 N228 R230W216-R220 HydrophobicContact CE3-CG 4.09Å; W216-R220 VanDerWaalsContact CZ3-CD 3.43Å; W216-R220 HydrophobicContact CZ3-CG 3.83Å; W216-R220 PolarHBondContact O-NE 3.42Å; W216-R220 VanDerWaalsContact O-NE 3.09Å; L217-R220 WeakPolarHBondContact O-CB 3.39Å; L217-R220 VanDerWaalsContact O-CG 3.32Å; L217-R220 WeakPolarHBondContact O-CG 3.21Å; L217-R220 PolarHBondContact O-N 3.23Å; L217-R220 VanDerWaalsContact O-N 3.11Å; A218-R220 PolarHBondContact O-N 3.34Å; A218-R220 VanDerWaalsContact O-N 3.09Å; R220-L222 PolarHBondContact O-N 3.26Å; R220-L227 HydrophobicContact CB-CD2 3.92Å; R220-L227 WeakPolarHBondContact O-CA 3.47Å; R220-N228 WeakPolarHBondContact CB-O 3.42Å; R220-N228 WeakPolarHBondContact CD-O 3.34Å; R220-N228 VanDerWaalsContact CD-OD1 3.31Å; R220-N228 WeakPolarHBondContact CD-OD1 3.01Å; R220-N228 WeakPolarHBondContact CG-O 3.47Å; R220-N228 PolarHBondContact NH1-OD1 3.19Å; R220-N228 PolarHBondContact O-N 3.24Å; R220-N228 VanDerWaalsContact O-N 3.1Å; R220-R230 VanDerWaalsContact NH1-C 3.34Å
221Q98.5Very high98Very high36 Ų3638 Ų3817%0.16818%0.184CC..BIsolated β-bridgetrans-76.4121.8-178-166.3174.835.600110A218 E219 G225 L227 K257A218-Q221 PolarHBondContact O-N 2.89Å; A218-Q221 VanDerWaalsContact O-N 3.09Å; E219-Q221 VanDerWaalsContact C-N 3.28Å; Q221-G225 WeakPolarHBondContact CG-O 3.33Å; Q221-G225 PolarHBondContact NE2-O 2.85Å; Q221-L227 HydrophobicContact CB-CD2 3.74Å; Q221-L227 HydrophobicContact CG-CD2 4.34Å; Q221-K257 PolarHBondContact NE2-O 2.96Å
222L98Very high97.8Very high22 Ų2239.6 Ų39.612%0.11519%0.189CC..  trans-95.2166.2-177.1-61.8177.7000111.5I5 V6 D7 R220 S224 G225 G226 N228 P235I5-L222 HydrophobicContact CG2-CD2 3.93Å; V6-L222 VanDerWaalsContact O-CD1 3.31Å; V6-L222 WeakPolarHBondContact O-CD1 3.19Å; D7-L222 HydrophobicContact CB-CB 4.39Å; D7-L222 HydrophobicContact CB-CD1 4.21Å; D7-L222 WeakPolarHBondContact OD1-CB 3.24Å; R220-L222 PolarHBondContact O-N 3.26Å; L222-S224 PolarHBondContact O-N 3.05Å; L222-S224 VanDerWaalsContact O-N 3.17Å; L222-G225 WeakPolarHBondContact O-CA 3.17Å; L222-G225 PolarHBondContact O-N 3.15Å; L222-G226 PolarHBondContact N-O 2.66Å; L222-N228 HydrophobicContact CD1-CB 4.22Å; L222-P235 HydrophobicContact CD1-CB 4.07Å; L222-P235 HydrophobicContact CD1-CG 4.11Å
223P96.4Very high97.6Very high102 Ų10238.5 Ų38.566%0.66219%0.188SC*.THydrogen-bonded Turntrans-51.4-32.1176.4-30.435.7000115.9I5 D7 G225I5-P223 HydrophobicContact CD1-CG 4.47Å; D7-P223 WeakPolarHBondContact OD2-CB 3.43Å; D7-P223 WeakPolarHBondContact OD2-CD 3.46Å; P223-G225 PolarHBondContact O-N 3.13Å
224S96.9Very high97.6Very high13 Ų1342.5 Ų42.59%0.09121%0.206CC..THydrogen-bonded Turntrans-62.5-15.6172.466.30000114D7 E8 L10 L222 G226D7-S224 WeakPolarHBondContact OD1-CB 3.47Å; D7-S224 PolarHBondContact OD1-OG 3.17Å; D7-S224 PolarHBondContact OD2-N 3.34Å; E8-S224 VanDerWaalsContact O-CB 3.25Å; E8-S224 WeakPolarHBondContact O-CB 3.24Å; L10-S224 WeakPolarHBondContact CD1-O 3.49Å; L222-S224 PolarHBondContact O-N 3.05Å; L222-S224 VanDerWaalsContact O-N 3.17Å; S224-G226 VanDerWaalsContact C-N 3.28Å; S224-G226 PolarHBondContact OG-N 2.81Å
225G97.8Very high97.5Very high1 Ų142.5 Ų42.51%0.0121%0.206CC..SBendtrans91.1-19-171.600000113.6Q221 L222 P223 D260 L261Q221-G225 WeakPolarHBondContact CG-O 3.33Å; Q221-G225 PolarHBondContact NE2-O 2.85Å; L222-G225 WeakPolarHBondContact O-CA 3.17Å; L222-G225 PolarHBondContact O-N 3.15Å; P223-G225 PolarHBondContact O-N 3.13Å; G225-D260 WeakPolarHBondContact CA-O 3.17Å; G225-L261 VanDerWaalsContact O-CA 3.23Å; G225-L261 WeakPolarHBondContact O-CA 3.46Å; G225-L261 PolarHBondContact O-N 3.4Å
226G98.4Very high97.6Very high0 Ų037.5 Ų37.50%019%0.189CC..  trans-69.4161.6176.400000112.9L222 S224L222-G226 PolarHBondContact N-O 2.66Å; S224-G226 VanDerWaalsContact C-N 3.28Å; S224-G226 PolarHBondContact OG-N 2.81Å
227L98.7Very high97.6Very high0 Ų037 Ų370%019%0.188CC..BIsolated β-bridgetrans-112.1135.7-179.1-71.4155.3000109.5R220 Q221 P235 D236 Y239 T243 V244 L261R220-L227 HydrophobicContact CB-CD2 3.92Å; R220-L227 WeakPolarHBondContact O-CA 3.47Å; Q221-L227 HydrophobicContact CB-CD2 3.74Å; Q221-L227 HydrophobicContact CG-CD2 4.34Å; L227-P235 CarbonylContact O-C 3.59Å; L227-P235 VanDerWaalsContact O-CA 3.24Å; L227-P235 WeakPolarHBondContact O-CA 3.48Å; L227-D236 PolarHBondContact O-N 2.96Å; L227-Y239 WeakPolarHBondContact O-CD2 3.34Å; L227-T243 HydrophobicContact CD1-CG2 4.14Å; L227-T243 HydrophobicContact CD2-CG2 3.95Å; L227-V244 HydrophobicContact CD1-CG2 4.23Å; L227-L261 HydrophobicContact CD1-CD1 3.87Å; L227-L261 HydrophobicContact CD1-CD2 3.62Å; L227-L261 HydrophobicContact CD1-CG 4.39Å; L227-L261 HydrophobicContact CG-CD1 4.23Å
228N98.3Very high97.6Very high4 Ų437.4 Ų37.42%0.02119%0.19CC..  trans-98158.8170.865.321.3000112.6R220 L222 R230 K233 H234R220-N228 WeakPolarHBondContact CB-O 3.42Å; R220-N228 WeakPolarHBondContact CD-O 3.34Å; R220-N228 VanDerWaalsContact CD-OD1 3.31Å; R220-N228 WeakPolarHBondContact CD-OD1 3.01Å; R220-N228 WeakPolarHBondContact CG-O 3.47Å; R220-N228 PolarHBondContact NH1-OD1 3.19Å; R220-N228 PolarHBondContact O-N 3.24Å; R220-N228 VanDerWaalsContact O-N 3.1Å; L222-N228 HydrophobicContact CD1-CB 4.22Å; N228-R230 VanDerWaalsContact C-N 3.33Å; N228-R230 PolarHBondContact ND2-O 2.78Å; N228-R230 PolarHBondContact OD1-O 3.36Å; N228-K233 HydrophobicContact CB-CB 4.39Å; N228-K233 WeakPolarHBondContact CB-O 3.18Å; N228-K233 PolarHBondContact ND2-O 3.39Å; N228-H234 WeakPolarHBondContact CB-O 3.43Å
229G98.1Very high97.6Very high2 Ų237.9 Ų37.92%0.02119%0.189CC..SBendtrans-74-27.2-179.800000114.1H188 A189 W216 Y239H188-G229 CarbonylContact C-O 3.6Å; H188-G229 WeakPolarHBondContact CA-O 3.46Å; A189-G229 PolarHBondContact N-O 3.04Å; W216-G229 WeakPolarHBondContact CH2-O 3.07Å; G229-Y239 VanDerWaalsContact CA-CE2 3.49Å; G229-Y239 WeakPolarHBondContact CA-OH 3.4Å
230R97Very high97.6Very high74 Ų7432.9 Ų32.928%0.27917%0.165SC..SBendtrans-162.3163.5-177.957.8171.1171.7151.1-12.3109.6E186 W216 R220 N228 K233E186-R230 VanDerWaalsContact OE1-CD 3.22Å; E186-R230 WeakPolarHBondContact OE1-CD 3.23Å; E186-R230 IonicContact OE1-CZ 3.01Å; E186-R230 IonicContact OE1-NE 2.87Å; E186-R230 IonicContact OE1-NH1 3.26Å; E186-R230 PolarHBondContact OE1-NH1 3.13Å; E186-R230 IonicContact OE2-CZ 3.34Å; E186-R230 IonicContact OE2-NE 3.94Å; E186-R230 IonicContact OE2-NH1 2.76Å; E186-R230 PolarHBondContact OE2-NH1 2.92Å; W216-R230 HydrophobicContact CH2-CB 4.48Å; R220-R230 VanDerWaalsContact NH1-C 3.34Å; N228-R230 VanDerWaalsContact C-N 3.33Å; N228-R230 PolarHBondContact ND2-O 2.78Å; N228-R230 PolarHBondContact OD1-O 3.36Å; R230-K233 HydrophobicContact CG-CB 4.5Å; R230-K233 HydrophobicContact CG-CG 3.7Å
231P95.5Very high97.6Very high58 Ų5831.7 Ų31.738%0.37716%0.161SC..THydrogen-bonded Turntrans-52.1150.4179.1-2633000113.6K233P231-K233 PolarHBondContact O-N 2.83Å
232E93.5Very high97.7Very high110 Ų11032.2 Ų32.251%0.51416%0.161SC..THydrogen-bonded Turntrans60.229.1175.6-51.9-59.7127.900114.5
233K96Very high97.7Very high95 Ų9531.2 Ų31.241%0.41316%0.156SC..SBendtrans-124152.8172.8-63.2-62.5174.7-168.70111.3N228 R230 P231N228-K233 HydrophobicContact CB-CB 4.39Å; N228-K233 WeakPolarHBondContact CB-O 3.18Å; N228-K233 PolarHBondContact ND2-O 3.39Å; R230-K233 HydrophobicContact CG-CB 4.5Å; R230-K233 HydrophobicContact CG-CG 3.7Å; P231-K233 PolarHBondContact O-N 2.83Å
234H97.4Very high97.8Very high85 Ų8526.3 Ų26.339%0.39412%0.124SC..  trans-59.5149.3173.3-71.5-91.4000111V6 E8 N228V6-H234 HydrophobicContact CG1-CB 4.41Å; V6-H234 WeakPolarHBondContact CG1-CD2 3.44Å; V6-H234 VanDerWaalsContact CG1-NE2 3.3Å; V6-H234 WeakPolarHBondContact CG1-NE2 3.38Å; E8-H234 IonicContact OE1-CE1 3.53Å; E8-H234 IonicContact OE1-CG 3.74Å; E8-H234 IonicContact OE1-ND1 2.69Å; E8-H234 PolarHBondContact OE1-ND1 2.97Å; N228-H234 WeakPolarHBondContact CB-O 3.43Å
235P98.3Very high97.9Very high0 Ų025.7 Ų25.70%012%0.12CC..  trans-66.5156.317031.2-34.7000111E8 L222 L227 F264 K279E8-P235 HydrophobicContact CB-CG 4.18Å; E8-P235 HydrophobicContact CG-CG 3.66Å; L222-P235 HydrophobicContact CD1-CB 4.07Å; L222-P235 HydrophobicContact CD1-CG 4.11Å; L227-P235 CarbonylContact O-C 3.59Å; L227-P235 VanDerWaalsContact O-CA 3.24Å; L227-P235 WeakPolarHBondContact O-CA 3.48Å; P235-F264 HydrophobicContact CB-CE1 4.38Å; P235-F264 HydrophobicContact CB-CE2 3.9Å; P235-F264 HydrophobicContact CB-CZ 3.73Å; P235-F264 HydrophobicContact CG-CE2 3.59Å; P235-F264 HydrophobicContact CG-CZ 3.77Å; P235-K279 WeakPolarHBondContact O-CE 3.49Å
236D98.7Very high97.9Very high31 Ų3125.7 Ų25.717%0.16612%0.12CC..  trans-149.5135.8-179.8178.6-36.4000109.4L227 C238 Y239 D278 H288L227-D236 PolarHBondContact O-N 2.96Å; D236-C238 VanDerWaalsContact CG-SG 3.55Å; D236-C238 PolarHBondContact O-N 2.77Å; D236-C238 VanDerWaalsContact O-N 3.17Å; D236-C238 PolarHBondContact OD1-N 3.38Å; D236-C238 PolarHBondContact OD1-SG 2.77Å; D236-Y239 HydrophobicContact CB-CD2 3.72Å; D236-Y239 HydrophobicContact CB-CE2 3.69Å; D236-Y239 WeakPolarHBondContact O-CD2 3.43Å; D236-Y239 PolarHBondContact O-N 3.14Å; D236-Y239 VanDerWaalsContact O-N 3.13Å; D236-D278 WeakPolarHBondContact CA-O 3.49Å; D236-H288 IonicContact OD1-CD2 3.84Å; D236-H288 PolarHBondContact OD1-CD2 3.19Å; D236-H288 IonicContact OD1-NE2 3.87Å; D236-H288 PolarHBondContact OD1-NE2 3.2Å; D236-H288 IonicContact OD2-NE2 3.99Å
237V98.8Very high98Very high0 Ų025.7 Ų25.70%012%0.12CC..THydrogen-bonded Turntrans-55.3-31.5-178.4166.40000112.7Y239 S240 F264 I276 A277 D278 H288V237-Y239 PolarHBondContact O-N 3.31Å; V237-Y239 VanDerWaalsContact O-N 3.15Å; V237-S240 WeakPolarHBondContact O-CA 3.49Å; V237-S240 WeakPolarHBondContact O-CB 3.33Å; V237-S240 PolarHBondContact O-N 2.93Å; V237-S240 PolarHBondContact O-OG 2.88Å; V237-F264 HydrophobicContact CG2-CD1 4.15Å; V237-F264 HydrophobicContact CG2-CE1 3.75Å; V237-I276 HydrophobicContact CG1-CG2 3.92Å; V237-I276 HydrophobicContact CG2-CG2 4.19Å; V237-A277 WeakPolarHBondContact CB-O 3.42Å; V237-A277 WeakPolarHBondContact CG2-O 3.16Å; V237-D278 WeakPolarHBondContact CG2-O 3.26Å; V237-D278 PolarHBondContact N-O 3.47Å; V237-H288 HydrophobicContact CG1-CB 4.39Å
238C98.7Very high97.9Very high7 Ų726.9 Ų26.95%0.04713%0.13CC..THydrogen-bonded Turntrans-63.3-24.5-178.571.70000113D236 S240 W241 W242 F287 F291D236-C238 VanDerWaalsContact CG-SG 3.55Å; D236-C238 PolarHBondContact O-N 2.77Å; D236-C238 VanDerWaalsContact O-N 3.17Å; D236-C238 PolarHBondContact OD1-N 3.38Å; D236-C238 PolarHBondContact OD1-SG 2.77Å; C238-S240 PolarHBondContact O-N 3.42Å; C238-W241 WeakPolarHBondContact O-CB 3.18Å; C238-W241 PolarHBondContact O-N 3.37Å; C238-W242 PolarHBondContact O-N 2.68Å; C238-F287 HydrophobicContact CB-CD1 4.42Å; C238-F287 HydrophobicContact CB-CE1 3.54Å; C238-F287 HydrophobicContact CB-CZ 4.15Å; C238-F291 HydrophobicContact CB-CD2 4.07Å
239Y98.8Very high98Very high26 Ų2626.7 Ų26.710%0.10213%0.129CC..Hα-helixtrans-72.1-14.3172.6-60.1-62.9000113.3H188 A189 L227 G229 D236 V237 W241 W242 T243H188-Y239 AromaticContact CE1-CE1 3.78Å; H188-Y239 AromaticContact CE1-CZ 3.86Å; H188-Y239 PolarHBondContact CE1-OH 2.89Å; H188-Y239 PolarHBondContact NE2-OH 2.98Å; H188-Y239 VanDerWaalsContact NE2-OH 3.11Å; A189-Y239 HydrophobicContact CB-CD1 3.7Å; A189-Y239 HydrophobicContact CB-CE1 3.97Å; L227-Y239 WeakPolarHBondContact O-CD2 3.34Å; G229-Y239 VanDerWaalsContact CA-CE2 3.49Å; G229-Y239 WeakPolarHBondContact CA-OH 3.4Å; D236-Y239 HydrophobicContact CB-CD2 3.72Å; D236-Y239 HydrophobicContact CB-CE2 3.69Å; D236-Y239 WeakPolarHBondContact O-CD2 3.43Å; D236-Y239 PolarHBondContact O-N 3.14Å; D236-Y239 VanDerWaalsContact O-N 3.13Å; V237-Y239 PolarHBondContact O-N 3.31Å; V237-Y239 VanDerWaalsContact O-N 3.15Å; Y239-W241 PolarHBondContact O-N 2.86Å; Y239-W242 HydrophobicContact CD1-CB 4.14Å; Y239-W242 AromaticContact CD1-CD1 3.83Å; Y239-W242 HydrophobicContact CD1-CG 4.41Å; Y239-T243 VanDerWaalsContact O-CB 3.26Å; Y239-T243 WeakPolarHBondContact O-CB 3.23Å; Y239-T243 PolarHBondContact O-N 3.08Å
240S98Very high98Very high0 Ų026.6 Ų26.60%013%0.128CC..Hα-helixtrans-63.8-17.1164.6-44.60000112.4V237 C238 V244 I265 G295V237-S240 WeakPolarHBondContact O-CA 3.49Å; V237-S240 WeakPolarHBondContact O-CB 3.33Å; V237-S240 PolarHBondContact O-N 2.93Å; V237-S240 PolarHBondContact O-OG 2.88Å; C238-S240 PolarHBondContact O-N 3.42Å; S240-V244 WeakPolarHBondContact O-CB 3.39Å; S240-V244 WeakPolarHBondContact O-CG2 3.46Å; S240-I265 WeakPolarHBondContact OG-CG1 3.32Å; S240-G295 WeakPolarHBondContact O-CA 3.13Å
241W98.8Very high98Very high0 Ų024.9 Ų24.90%013%0.133CC..Hα-helixtrans-97.4-63.1163.6-179.2-112.4000110.9Y193 C238 Y239 T243 V244 A245 F291 A294 L298 I337 N338 C342Y193-W241 HydrophobicContact CE2-CZ2 4.2Å; Y193-W241 AromaticContact CE2-NE1 3.65Å; Y193-W241 AromaticContact CZ-NE1 3.59Å; C238-W241 WeakPolarHBondContact O-CB 3.18Å; C238-W241 PolarHBondContact O-N 3.37Å; Y239-W241 PolarHBondContact O-N 2.86Å; W241-T243 VanDerWaalsContact C-N 3.34Å; W241-T243 PolarHBondContact O-N 3.47Å; W241-V244 PolarHBondContact O-N 3.27Å; W241-A245 HydrophobicContact CD2-CB 4.02Å; W241-A245 HydrophobicContact CE3-CB 4.23Å; W241-A245 HydrophobicContact CH2-CB 4.17Å; W241-A245 HydrophobicContact CZ2-CB 3.89Å; W241-A245 HydrophobicContact CZ3-CB 4.32Å; W241-A245 WeakPolarHBondContact O-CB 3.34Å; W241-A245 PolarHBondContact O-N 3.13Å; W241-F291 HydrophobicContact CB-CB 3.61Å; W241-F291 HydrophobicContact CB-CD1 3.37Å; W241-F291 HydrophobicContact CB-CE1 4.24Å; W241-F291 HydrophobicContact CB-CG 3.66Å; W241-F291 AromaticContact CD1-CD1 3.4Å; W241-F291 AromaticContact CD1-CE1 3.35Å; W241-F291 HydrophobicContact CD2-CD1 4.12Å; W241-F291 HydrophobicContact CD2-CE1 4.5Å; W241-F291 HydrophobicContact CG-CB 4.49Å; W241-F291 AromaticContact CG-CD1 3.32Å; W241-F291 HydrophobicContact CG-CD1 3.32Å; W241-F291 AromaticContact CG-CE1 3.78Å; W241-F291 HydrophobicContact CG-CE1 3.78Å; W241-F291 HydrophobicContact CG-CG 4.11Å; W241-F291 AromaticContact NE1-CE1 3.92Å; W241-A294 HydrophobicContact CD2-CB 4.19Å; W241-A294 HydrophobicContact CE3-CB 3.41Å; W241-A294 VanDerWaalsContact CE3-CB 3.41Å; W241-A294 HydrophobicContact CZ3-CB 3.67Å; W241-L298 HydrophobicContact CE3-CD1 4Å; W241-L298 HydrophobicContact CH2-CD1 4.01Å; W241-L298 HydrophobicContact CZ3-CD1 3.41Å; W241-L298 VanDerWaalsContact CZ3-CD1 3.41Å; W241-L298 HydrophobicContact CZ3-CG 3.93Å; W241-I337 HydrophobicContact CH2-CD1 3.96Å; W241-I337 HydrophobicContact CH2-CG1 4.34Å; W241-I337 HydrophobicContact CH2-CG2 4.11Å; W241-I337 HydrophobicContact CZ3-CD1 3.93Å; W241-I337 HydrophobicContact CZ3-CG2 3.72Å; W241-N338 WeakPolarHBondContact CH2-O 3.4Å; W241-C342 HydrophobicContact CD2-CB 4.45Å; W241-C342 VanDerWaalsContact CE2-CB 3.49Å; W241-C342 HydrophobicContact CH2-CB 3.87Å; W241-C342 HydrophobicContact CZ2-CB 3.18Å; W241-C342 VanDerWaalsContact CZ2-SG 3.56Å
242W98.7Very high98Very high47 Ų4725.1 Ų25.118%0.17813%0.126CC..Hα-helixtrans-55.1-46-168.7-52.6126.4000113.6Y193 C238 Y239 T246 F287 F291Y193-W242 AromaticContact CD1-CE3 3.3Å; Y193-W242 HydrophobicContact CD1-CE3 3.3Å; Y193-W242 AromaticContact CD1-CZ3 3.35Å; Y193-W242 HydrophobicContact CD1-CZ3 3.35Å; Y193-W242 HydrophobicContact CD2-CE3 4.24Å; Y193-W242 AromaticContact CE1-CE3 3.79Å; Y193-W242 HydrophobicContact CE1-CE3 3.79Å; Y193-W242 AromaticContact CE1-CZ3 3.38Å; Y193-W242 HydrophobicContact CE1-CZ3 3.38Å; Y193-W242 AromaticContact CG-CE3 3.55Å; Y193-W242 HydrophobicContact CG-CE3 3.55Å; Y193-W242 HydrophobicContact CG-CZ3 4.06Å; C238-W242 PolarHBondContact O-N 2.68Å; Y239-W242 HydrophobicContact CD1-CB 4.14Å; Y239-W242 AromaticContact CD1-CD1 3.83Å; Y239-W242 HydrophobicContact CD1-CG 4.41Å; W242-T246 WeakPolarHBondContact O-CB 3.16Å; W242-T246 PolarHBondContact O-N 2.87Å; W242-T246 PolarHBondContact O-OG1 3.35Å; W242-F287 HydrophobicContact CZ2-CE2 4.39Å; W242-F287 HydrophobicContact CZ2-CZ 4.2Å; W242-F291 AromaticContact CH2-CE1 3.96Å; W242-F291 HydrophobicContact CH2-CE1 3.96Å; W242-F291 AromaticContact CH2-CE2 3.78Å; W242-F291 HydrophobicContact CH2-CE2 3.78Å; W242-F291 AromaticContact CH2-CZ 3.31Å; W242-F291 HydrophobicContact CH2-CZ 3.31Å; W242-F291 HydrophobicContact CZ2-CD2 4.13Å; W242-F291 HydrophobicContact CZ2-CE1 4.24Å; W242-F291 AromaticContact CZ2-CE2 3.34Å; W242-F291 HydrophobicContact CZ2-CE2 3.34Å; W242-F291 AromaticContact CZ2-CZ 3.42Å; W242-F291 HydrophobicContact CZ2-CZ 3.42Å; W242-F291 VanDerWaalsContact CZ2-CZ 3.42Å; W242-F291 HydrophobicContact CZ3-CE1 4.41Å; W242-F291 HydrophobicContact CZ3-CZ 4.18Å
243T98.8Very high98.2Very high0 Ų020.5 Ų20.50%011%0.105CC..Hα-helixtrans-77.3-46.7179.8-59.20000111.5A189 L217 L227 Y239 W241 T246 L247A189-T243 WeakPolarHBondContact CB-OG1 3.47Å; L217-T243 HydrophobicContact CB-CG2 3.95Å; L217-T243 HydrophobicContact CD2-CG2 4.07Å; L227-T243 HydrophobicContact CD1-CG2 4.14Å; L227-T243 HydrophobicContact CD2-CG2 3.95Å; Y239-T243 VanDerWaalsContact O-CB 3.26Å; Y239-T243 WeakPolarHBondContact O-CB 3.23Å; Y239-T243 PolarHBondContact O-N 3.08Å; W241-T243 VanDerWaalsContact C-N 3.34Å; W241-T243 PolarHBondContact O-N 3.47Å; T243-T246 PolarHBondContact O-N 3.2Å; T243-L247 HydrophobicContact CG2-CD1 3.85Å; T243-L247 HydrophobicContact CG2-CG 4.33Å; T243-L247 WeakPolarHBondContact O-CB 3.27Å; T243-L247 WeakPolarHBondContact O-CG 3.47Å; T243-L247 PolarHBondContact O-N 2.91Å
244V98.7Very high98.1Very high0 Ų019.9 Ų19.90%011%0.109CC..Hα-helixtrans-62.1-46-177.9169.90000111.6L227 S240 W241 T246 L247 A248 L253 I256 L261 L298 L299L227-V244 HydrophobicContact CD1-CG2 4.23Å; S240-V244 WeakPolarHBondContact O-CB 3.39Å; S240-V244 WeakPolarHBondContact O-CG2 3.46Å; W241-V244 PolarHBondContact O-N 3.27Å; V244-T246 VanDerWaalsContact C-N 3.34Å; V244-T246 PolarHBondContact O-N 3.23Å; V244-L247 PolarHBondContact O-N 3.14Å; V244-A248 WeakPolarHBondContact O-CB 3.48Å; V244-A248 PolarHBondContact O-N 3.18Å; V244-L253 HydrophobicContact CB-CD1 4.3Å; V244-L253 HydrophobicContact CG1-CD1 3.73Å; V244-L253 HydrophobicContact CG1-CD2 4.26Å; V244-L253 HydrophobicContact CG2-CD1 4.45Å; V244-I256 HydrophobicContact CG2-CD1 4.07Å; V244-L261 HydrophobicContact CG2-CD2 3.51Å; V244-L298 HydrophobicContact CG1-CB 3.83Å; V244-L298 HydrophobicContact CG1-CD1 3.92Å; V244-L299 HydrophobicContact CG1-CD2 4.28Å; V244-L299 HydrophobicContact CG1-CG 4.36Å
245A98.8Very high98.1Very high0 Ų021.4 Ų21.40%011%0.112CC..Hα-helixtrans-61.2-43.5177.200000111.3Y193 W241 A248 I249 L298 P339Y193-A245 HydrophobicContact CD2-CB 3.92Å; Y193-A245 HydrophobicContact CE2-CB 3.95Å; W241-A245 HydrophobicContact CD2-CB 4.02Å; W241-A245 HydrophobicContact CE3-CB 4.23Å; W241-A245 HydrophobicContact CH2-CB 4.17Å; W241-A245 HydrophobicContact CZ2-CB 3.89Å; W241-A245 HydrophobicContact CZ3-CB 4.32Å; W241-A245 WeakPolarHBondContact O-CB 3.34Å; W241-A245 PolarHBondContact O-N 3.13Å; A245-A248 WeakPolarHBondContact O-CB 3.32Å; A245-A248 PolarHBondContact O-N 2.76Å; A245-I249 VanDerWaalsContact O-CG1 3.32Å; A245-I249 WeakPolarHBondContact O-CG1 3.33Å; A245-I249 PolarHBondContact O-N 3.3Å; A245-L298 HydrophobicContact CB-CD1 4.03Å; A245-P339 HydrophobicContact CB-CB 4.41Å; A245-P339 WeakPolarHBondContact CB-O 3.39Å
246T98.9Very high98Very high0 Ų021.8 Ų21.80%011%0.114CC..Hα-helixtrans-63.2-45.6176.3-550000111.7A192 Y193 V196 L217 W242 T243 V244 A248 I249 F250A192-T246 HydrophobicContact CB-CG2 4.38Å; Y193-T246 VanDerWaalsContact CA-OG1 3.24Å; Y193-T246 WeakPolarHBondContact CA-OG1 3.37Å; Y193-T246 PolarHBondContact N-OG1 3.38Å; V196-T246 HydrophobicContact CB-CG2 3.95Å; V196-T246 HydrophobicContact CG1-CG2 4.02Å; V196-T246 HydrophobicContact CG2-CG2 3.8Å; L217-T246 HydrophobicContact CD1-CG2 3.39Å; W242-T246 WeakPolarHBondContact O-CB 3.16Å; W242-T246 PolarHBondContact O-N 2.87Å; W242-T246 PolarHBondContact O-OG1 3.35Å; T243-T246 PolarHBondContact O-N 3.2Å; V244-T246 VanDerWaalsContact C-N 3.34Å; V244-T246 PolarHBondContact O-N 3.23Å; T246-A248 VanDerWaalsContact C-N 3.29Å; T246-A248 PolarHBondContact O-N 3.02Å; T246-I249 PolarHBondContact O-N 3.38Å; T246-F250 HydrophobicContact CG2-CD2 4.18Å; T246-F250 HydrophobicContact CG2-CE2 3.73Å; T246-F250 HydrophobicContact CG2-CZ 4.07Å; T246-F250 WeakPolarHBondContact O-CG 3.36Å; T246-F250 PolarHBondContact O-N 3.18Å; T246-F250 VanDerWaalsContact O-N 3.1Å
247L98.7Very high97.9Very high0 Ų026.7 Ų26.70%013%0.133CC..Hα-helixtrans-64.9-33175.7-70.5173.2000112.4A214 L217 T243 V244 F250 G251 R252 L253 I256A214-L247 HydrophobicContact CB-CD2 3.94Å; L217-L247 HydrophobicContact CB-CD2 4.07Å; L217-L247 HydrophobicContact CB-CG 4.33Å; L217-L247 HydrophobicContact CD1-CD2 4.5Å; T243-L247 HydrophobicContact CG2-CD1 3.85Å; T243-L247 HydrophobicContact CG2-CG 4.33Å; T243-L247 WeakPolarHBondContact O-CB 3.27Å; T243-L247 WeakPolarHBondContact O-CG 3.47Å; T243-L247 PolarHBondContact O-N 2.91Å; V244-L247 PolarHBondContact O-N 3.14Å; L247-F250 PolarHBondContact O-N 2.65Å; L247-G251 PolarHBondContact O-N 3.15Å; L247-R252 HydrophobicContact CD2-CB 4.06Å; L247-R252 PolarHBondContact O-N 2.92Å; L247-L253 HydrophobicContact CB-CB 4.49Å; L247-L253 HydrophobicContact CB-CD1 4.33Å; L247-L253 PolarHBondContact O-N 3.41Å; L247-I256 HydrophobicContact CD1-CD1 4.26Å; L247-I256 HydrophobicContact CD1-CG1 4.29Å; L247-I256 HydrophobicContact CD1-CG2 3.72Å
248A98.3Very high97.6Very high26 Ų2627.5 Ų27.522%0.21514%0.137CC..Hα-helixtrans-66.9-43.517400000111.5V244 A245 T246 F250 G251 L253 L298 P339V244-A248 WeakPolarHBondContact O-CB 3.48Å; V244-A248 PolarHBondContact O-N 3.18Å; A245-A248 WeakPolarHBondContact O-CB 3.32Å; A245-A248 PolarHBondContact O-N 2.76Å; T246-A248 VanDerWaalsContact C-N 3.29Å; T246-A248 PolarHBondContact O-N 3.02Å; A248-F250 PolarHBondContact O-N 3.4Å; A248-G251 PolarHBondContact O-N 3.27Å; A248-G251 VanDerWaalsContact O-N 3.1Å; A248-L253 HydrophobicContact CB-CD2 4.38Å; A248-L298 HydrophobicContact CB-CD1 4.44Å; A248-P339 HydrophobicContact CB-CB 3.96Å; A248-P339 HydrophobicContact CB-CG 4.47Å
249I98.8Very high97.3Very high0 Ų027.9 Ų27.90%014%0.139CC..Hα-helixtrans-59.6-36.3174.5-66.9162.2000111.3V196 A200 L205 A245 T246 G251 P339 V340 L357 L358V196-I249 HydrophobicContact CG1-CB 4.07Å; V196-I249 HydrophobicContact CG1-CD1 4.06Å; V196-I249 HydrophobicContact CG1-CG2 3.64Å; A200-I249 HydrophobicContact CB-CG2 3.99Å; L205-I249 HydrophobicContact CD1-CG2 3.69Å; A245-I249 VanDerWaalsContact O-CG1 3.32Å; A245-I249 WeakPolarHBondContact O-CG1 3.33Å; A245-I249 PolarHBondContact O-N 3.3Å; T246-I249 PolarHBondContact O-N 3.38Å; I249-G251 VanDerWaalsContact C-N 3.34Å; I249-P339 HydrophobicContact CG1-CB 4.17Å; I249-P339 HydrophobicContact CG1-CG 4.28Å; I249-V340 HydrophobicContact CD1-CG2 3.84Å; I249-V340 HydrophobicContact CG1-CG2 3.88Å; I249-L357 HydrophobicContact CB-CD2 4.3Å; I249-L357 HydrophobicContact CG1-CD2 3.92Å; I249-L357 HydrophobicContact CG2-CD2 4.19Å; I249-L358 PolarHBondContact O-N 2.87Å
250F98.5Very high97.2Very high0 Ų028.4 Ų28.40%014%0.144CC..THydrogen-bonded Turntrans-79.8-8.7178-66.3-22.7000115V196 I210 A213 A214 L217 T246 L247 A248 R252V196-F250 HydrophobicContact CB-CE1 4.24Å; V196-F250 HydrophobicContact CB-CZ 4.26Å; V196-F250 HydrophobicContact CG1-CD1 4.08Å; V196-F250 HydrophobicContact CG1-CE1 3.44Å; V196-F250 VanDerWaalsContact CG1-CE1 3.44Å; V196-F250 HydrophobicContact CG1-CZ 3.89Å; V196-F250 HydrophobicContact CG2-CE1 3.71Å; V196-F250 HydrophobicContact CG2-CE2 4.28Å; V196-F250 HydrophobicContact CG2-CZ 3.33Å; I210-F250 HydrophobicContact CD1-CD1 3.63Å; I210-F250 HydrophobicContact CD1-CE1 3.22Å; I210-F250 HydrophobicContact CD1-CZ 3.91Å; I210-F250 HydrophobicContact CG1-CE1 4.48Å; I210-F250 HydrophobicContact CG2-CB 3.93Å; I210-F250 HydrophobicContact CG2-CD1 3.72Å; I210-F250 HydrophobicContact CG2-CD2 4.22Å; I210-F250 HydrophobicContact CG2-CE1 4.18Å; I210-F250 HydrophobicContact CG2-CG 3.72Å; A213-F250 HydrophobicContact CB-CE2 3.73Å; A213-F250 HydrophobicContact CB-CZ 4.04Å; A214-F250 HydrophobicContact CB-CD2 3.92Å; L217-F250 HydrophobicContact CD1-CE2 4.35Å; T246-F250 HydrophobicContact CG2-CD2 4.18Å; T246-F250 HydrophobicContact CG2-CE2 3.73Å; T246-F250 HydrophobicContact CG2-CZ 4.07Å; T246-F250 WeakPolarHBondContact O-CG 3.36Å; T246-F250 PolarHBondContact O-N 3.18Å; T246-F250 VanDerWaalsContact O-N 3.1Å; L247-F250 PolarHBondContact O-N 2.65Å; A248-F250 PolarHBondContact O-N 3.4Å; F250-R252 VanDerWaalsContact C-N 3.29Å; F250-R252 HydrophobicContact CB-CB 4.26Å; F250-R252 HydrophobicContact CB-CG 3.9Å; F250-R252 PolarHBondContact O-N 3.3Å; F250-R252 PolarHBondContact O-NH1 2.95Å; F250-R252 VanDerWaalsContact O-NH1 3.07Å
251G96.9Very high97.2Very high37 Ų3728.4 Ų28.438%0.38114%0.144SC..THydrogen-bonded Turntrans65.734.1-171.300000112.5L247 A248 I249 L358L247-G251 PolarHBondContact O-N 3.15Å; A248-G251 PolarHBondContact O-N 3.27Å; A248-G251 VanDerWaalsContact O-N 3.1Å; I249-G251 VanDerWaalsContact C-N 3.34Å; G251-L358 WeakPolarHBondContact CA-O 3.47Å; G251-L358 PolarHBondContact N-O 3.31Å
252R97Very high97.2Very high63 Ų6328.4 Ų28.424%0.23814%0.144CC..  trans-12513.8-176.5-58.8-60-175.7-88.8-5.3113.3D211 A214 L247 F250 T254 W255D211-R252 IonicContact OD1-CZ 3.95Å; D211-R252 IonicContact OD1-NE 3.62Å; D211-R252 PolarHBondContact OD1-NE 3.17Å; D211-R252 IonicContact OD1-NH2 2.7Å; D211-R252 PolarHBondContact OD1-NH2 2.93Å; D211-R252 IonicContact OD2-NH2 3.41Å; A214-R252 HydrophobicContact CB-CB 3.91Å; A214-R252 HydrophobicContact CB-CG 3.75Å; L247-R252 HydrophobicContact CD2-CB 4.06Å; L247-R252 PolarHBondContact O-N 2.92Å; F250-R252 VanDerWaalsContact C-N 3.29Å; F250-R252 HydrophobicContact CB-CB 4.26Å; F250-R252 HydrophobicContact CB-CG 3.9Å; F250-R252 PolarHBondContact O-N 3.3Å; F250-R252 PolarHBondContact O-NH1 2.95Å; F250-R252 VanDerWaalsContact O-NH1 3.07Å; R252-T254 PolarHBondContact O-N 2.71Å; R252-T254 VanDerWaalsContact O-N 3.09Å; R252-W255 HydrophobicContact CB-CD2 4.08Å; R252-W255 HydrophobicContact CB-CE3 4.45Å; R252-W255 HydrophobicContact CB-CG 4.18Å; R252-W255 VanDerWaalsContact CD-CE2 3.46Å; R252-W255 VanDerWaalsContact CD-CZ2 3.49Å; R252-W255 HydrophobicContact CG-CD2 4.41Å; R252-W255 HydrophobicContact CG-CZ2 4.4Å; R252-W255 VanDerWaalsContact O-CB 3.24Å; R252-W255 WeakPolarHBondContact O-CB 3.3Å; R252-W255 PolarHBondContact O-N 2.91Å
253L95.6Very high97.2Very high14 Ų1430.4 Ų30.47%0.07315%0.152CC..G310 helixtrans-59.3-25.8-178.4-175.954.2000113.5V244 L247 A248 W255 I256 L299 V302V244-L253 HydrophobicContact CB-CD1 4.3Å; V244-L253 HydrophobicContact CG1-CD1 3.73Å; V244-L253 HydrophobicContact CG1-CD2 4.26Å; V244-L253 HydrophobicContact CG2-CD1 4.45Å; L247-L253 HydrophobicContact CB-CB 4.49Å; L247-L253 HydrophobicContact CB-CD1 4.33Å; L247-L253 PolarHBondContact O-N 3.41Å; A248-L253 HydrophobicContact CB-CD2 4.38Å; L253-W255 PolarHBondContact O-N 3.22Å; L253-I256 HydrophobicContact CD1-CD1 3.93Å; L253-I256 HydrophobicContact CD1-CG1 4.16Å; L253-I256 VanDerWaalsContact O-CG1 3.32Å; L253-I256 WeakPolarHBondContact O-CG1 3.28Å; L253-L299 HydrophobicContact CD1-CD2 3.97Å; L253-L299 HydrophobicContact CD2-CD2 4.39Å; L253-L299 HydrophobicContact CG-CD2 4.4Å; L253-V302 HydrophobicContact CD2-CG2 3.6Å; L253-V302 HydrophobicContact CG-CG2 4.07Å
254T95.2Very high97.1Very high82 Ų8230.4 Ų30.450%0.50315%0.152SC..G310 helixtrans-70.4-6.9174.953.20000114.3R252 I256 V302R252-T254 PolarHBondContact O-N 2.71Å; R252-T254 VanDerWaalsContact O-N 3.09Å; T254-I256 VanDerWaalsContact C-N 3.27Å; T254-I256 PolarHBondContact O-N 3.35Å; T254-V302 HydrophobicContact CG2-CG1 3.83Å
255W96.7Very high97.2Very high116 Ų11630.4 Ų30.444%0.43915%0.152SC..G310 helixtrans-77.3-13.8178.7-70.917.2000113.2D211 A214 W215 A218 R252 L253D211-W255 HydrophobicContact CB-CH2 4.25Å; A214-W255 HydrophobicContact CB-CE3 3.97Å; A214-W255 HydrophobicContact CB-CH2 4.5Å; A214-W255 HydrophobicContact CB-CZ3 3.77Å; W215-W255 HydrophobicContact CB-CZ3 4.1Å; A218-W255 HydrophobicContact CB-CB 4.1Å; R252-W255 HydrophobicContact CB-CD2 4.08Å; R252-W255 HydrophobicContact CB-CE3 4.45Å; R252-W255 HydrophobicContact CB-CG 4.18Å; R252-W255 VanDerWaalsContact CD-CE2 3.46Å; R252-W255 VanDerWaalsContact CD-CZ2 3.49Å; R252-W255 HydrophobicContact CG-CD2 4.41Å; R252-W255 HydrophobicContact CG-CZ2 4.4Å; R252-W255 VanDerWaalsContact O-CB 3.24Å; R252-W255 WeakPolarHBondContact O-CB 3.3Å; R252-W255 PolarHBondContact O-N 2.91Å; L253-W255 PolarHBondContact O-N 3.22Å
256I97.1Very high97.1Very high9 Ų930.5 Ų30.55%0.04615%0.152CC..SBendtrans-106.6156173.660.7165.6000111.4A218 V244 L247 L253 T254 Q258 L261A218-I256 HydrophobicContact CB-CG2 4.02Å; V244-I256 HydrophobicContact CG2-CD1 4.07Å; L247-I256 HydrophobicContact CD1-CD1 4.26Å; L247-I256 HydrophobicContact CD1-CG1 4.29Å; L247-I256 HydrophobicContact CD1-CG2 3.72Å; L253-I256 HydrophobicContact CD1-CD1 3.93Å; L253-I256 HydrophobicContact CD1-CG1 4.16Å; L253-I256 VanDerWaalsContact O-CG1 3.32Å; L253-I256 WeakPolarHBondContact O-CG1 3.28Å; T254-I256 VanDerWaalsContact C-N 3.27Å; T254-I256 PolarHBondContact O-N 3.35Å; I256-Q258 PolarHBondContact O-N 2.95Å; I256-Q258 VanDerWaalsContact O-N 3.09Å; I256-L261 HydrophobicContact CD1-CD2 3.95Å
257K95.4Very high97.1Very high133 Ų13330.7 Ų30.758%0.57815%0.153SC*.  trans-79.392.3174.4-60.8-178.3-174.1172.20109.9Q221 T259 D260 L261Q221-K257 PolarHBondContact NE2-O 2.96Å; K257-T259 VanDerWaalsContact C-N 3.28Å; K257-T259 PolarHBondContact O-N 3.09Å; K257-D260 HydrophobicContact CB-CB 3.99Å; K257-D260 WeakPolarHBondContact CD-OD2 3.25Å; K257-D260 PolarHBondContact O-N 3.47Å; K257-D260 VanDerWaalsContact O-N 3.08Å; K257-L261 PolarHBondContact O-N 2.97Å; K257-L261 VanDerWaalsContact O-N 3.14Å
258Q93.9Very high97.1Very high17 Ų1730.8 Ų30.88%0.07915%0.154CC..Hα-helixtrans-56.8-39.9-177.4-57.3179.849.600112.8I256 D260 L261 T262 L299I256-Q258 PolarHBondContact O-N 2.95Å; I256-Q258 VanDerWaalsContact O-N 3.09Å; Q258-D260 VanDerWaalsContact C-N 3.3Å; Q258-D260 PolarHBondContact O-N 2.85Å; Q258-L261 PolarHBondContact O-N 3.1Å; Q258-T262 WeakPolarHBondContact O-CB 3.44Å; Q258-T262 PolarHBondContact O-N 3.04Å; Q258-T262 PolarHBondContact O-OG1 3.08Å; Q258-L299 HydrophobicContact CB-CD2 3.92Å; Q258-L299 HydrophobicContact CG-CD2 3.67Å; Q258-L299 PolarHBondContact OE1-O 3.46Å
259T92.7Very high97.1Very high15 Ų1530 Ų309%0.09215%0.146CC..Hα-helixtrans-61-39.517744.10000113K257 T262 R263 Y305 A323K257-T259 VanDerWaalsContact C-N 3.28Å; K257-T259 PolarHBondContact O-N 3.09Å; T259-T262 PolarHBondContact O-N 3.06Å; T259-R263 WeakPolarHBondContact O-CG 3.31Å; T259-R263 PolarHBondContact O-N 2.81Å; T259-Y305 HydrophobicContact CG2-CE2 3.56Å; T259-Y305 WeakPolarHBondContact CG2-OH 3.44Å; T259-A323 HydrophobicContact CG2-CB 4.35Å
260D96.1Very high97.1Very high38 Ų3831.6 Ų31.620%0.20316%0.155CC..Hα-helixtrans-74.1-40.9-174.3-591.5000108.5G225 K257 Q258 R263 F264G225-D260 WeakPolarHBondContact CA-O 3.17Å; K257-D260 HydrophobicContact CB-CB 3.99Å; K257-D260 WeakPolarHBondContact CD-OD2 3.25Å; K257-D260 PolarHBondContact O-N 3.47Å; K257-D260 VanDerWaalsContact O-N 3.08Å; Q258-D260 VanDerWaalsContact C-N 3.3Å; Q258-D260 PolarHBondContact O-N 2.85Å; D260-R263 PolarHBondContact O-N 2.99Å; D260-R263 IonicContact OD1-CZ 2.84Å; D260-R263 IonicContact OD1-NH1 2.65Å; D260-R263 PolarHBondContact OD1-NH1 3.32Å; D260-F264 PolarHBondContact O-N 3.1Å; D260-F264 VanDerWaalsContact O-N 3.07Å
261L98.2Very high97Very high0 Ų035.6 Ų35.60%018%0.176CC..Hα-helixtrans-61.6-43.3171.2-178.358.7000112.2G225 L227 V244 I256 K257 Q258 R263 F264 I265 L299G225-L261 VanDerWaalsContact O-CA 3.23Å; G225-L261 WeakPolarHBondContact O-CA 3.46Å; G225-L261 PolarHBondContact O-N 3.4Å; L227-L261 HydrophobicContact CD1-CD1 3.87Å; L227-L261 HydrophobicContact CD1-CD2 3.62Å; L227-L261 HydrophobicContact CD1-CG 4.39Å; L227-L261 HydrophobicContact CG-CD1 4.23Å; V244-L261 HydrophobicContact CG2-CD2 3.51Å; I256-L261 HydrophobicContact CD1-CD2 3.95Å; K257-L261 PolarHBondContact O-N 2.97Å; K257-L261 VanDerWaalsContact O-N 3.14Å; Q258-L261 PolarHBondContact O-N 3.1Å; L261-R263 VanDerWaalsContact C-N 3.3Å; L261-R263 PolarHBondContact O-N 2.89Å; L261-F264 WeakPolarHBondContact O-CB 3.42Å; L261-F264 PolarHBondContact O-N 3.32Å; L261-F264 VanDerWaalsContact O-N 3.13Å; L261-I265 HydrophobicContact CD1-CD1 4.47Å; L261-I265 HydrophobicContact CD1-CG1 4.43Å; L261-I265 HydrophobicContact CG-CD1 4.14Å; L261-I265 WeakPolarHBondContact O-CG1 3.45Å; L261-I265 PolarHBondContact O-N 3.42Å; L261-L299 HydrophobicContact CD2-CD1 3.98Å; L261-L299 HydrophobicContact CD2-CD2 4.45Å; L261-L299 HydrophobicContact CG-CD1 4.29Å
262T98Very high96.9Very high0 Ų041.1 Ų41.10%019%0.192CC..Hα-helixtrans-56.7-44.6174-63.10000110.9Q258 T259 F264 I265 L266 L296 A323 A326 L327Q258-T262 WeakPolarHBondContact O-CB 3.44Å; Q258-T262 PolarHBondContact O-N 3.04Å; Q258-T262 PolarHBondContact O-OG1 3.08Å; T259-T262 PolarHBondContact O-N 3.06Å; T262-F264 VanDerWaalsContact C-N 3.31Å; T262-F264 PolarHBondContact O-N 3.4Å; T262-I265 PolarHBondContact O-N 3.21Å; T262-L266 HydrophobicContact CG2-CD1 3.83Å; T262-L266 HydrophobicContact CG2-CG 4.16Å; T262-L266 WeakPolarHBondContact O-CB 3.42Å; T262-L266 WeakPolarHBondContact O-CG 3.18Å; T262-L266 PolarHBondContact O-N 3.23Å; T262-L296 HydrophobicContact CG2-CD2 3.9Å; T262-A323 HydrophobicContact CG2-CB 4.03Å; T262-A326 HydrophobicContact CG2-CB 3.95Å; T262-L327 HydrophobicContact CG2-CG 4.19Å; T262-L327 WeakPolarHBondContact OG1-CD2 3.4Å
263R97.9Very high96.8Very high89 Ų8940.7 Ų40.734%0.33620%0.196SC..Hα-helixtrans-61.3-39.4176.9-67.9-173.6-154.5963.2112.4L10 T259 D260 L261 L266 A267 D321 A323L10-R263 HydrophobicContact CD1-CB 4.4Å; T259-R263 WeakPolarHBondContact O-CG 3.31Å; T259-R263 PolarHBondContact O-N 2.81Å; D260-R263 PolarHBondContact O-N 2.99Å; D260-R263 IonicContact OD1-CZ 2.84Å; D260-R263 IonicContact OD1-NH1 2.65Å; D260-R263 PolarHBondContact OD1-NH1 3.32Å; L261-R263 VanDerWaalsContact C-N 3.3Å; L261-R263 PolarHBondContact O-N 2.89Å; R263-L266 PolarHBondContact O-N 3.08Å; R263-A267 VanDerWaalsContact O-CB 3.25Å; R263-A267 WeakPolarHBondContact O-CB 3.32Å; R263-A267 PolarHBondContact O-N 3.44Å; R263-D321 IonicContact CZ-OD1 3.69Å; R263-D321 IonicContact CZ-OD2 3.4Å; R263-D321 IonicContact NE-OD1 2.77Å; R263-D321 IonicContact NH2-OD1 3.9Å; R263-D321 PolarHBondContact NH2-OD1 3.29Å; R263-D321 IonicContact NH2-OD2 3.92Å; R263-D321 PolarHBondContact NH2-OD2 3.48Å; R263-A323 HydrophobicContact CG-CB 3.81Å
264F98.7Very high96.9Very high0 Ų040 Ų400%019%0.193CC..Hα-helixtrans-63.4-45.2176.2-176.8-92.1000112.3E8 L10 P235 V237 D260 L261 T262 A267 S268E8-F264 HydrophobicContact CB-CE2 4.29Å; E8-F264 HydrophobicContact CG-CE2 4.31Å; L10-F264 HydrophobicContact CD2-CD2 4.05Å; P235-F264 HydrophobicContact CB-CE1 4.38Å; P235-F264 HydrophobicContact CB-CE2 3.9Å; P235-F264 HydrophobicContact CB-CZ 3.73Å; P235-F264 HydrophobicContact CG-CE2 3.59Å; P235-F264 HydrophobicContact CG-CZ 3.77Å; V237-F264 HydrophobicContact CG2-CD1 4.15Å; V237-F264 HydrophobicContact CG2-CE1 3.75Å; D260-F264 PolarHBondContact O-N 3.1Å; D260-F264 VanDerWaalsContact O-N 3.07Å; L261-F264 WeakPolarHBondContact O-CB 3.42Å; L261-F264 PolarHBondContact O-N 3.32Å; L261-F264 VanDerWaalsContact O-N 3.13Å; T262-F264 VanDerWaalsContact C-N 3.31Å; T262-F264 PolarHBondContact O-N 3.4Å; F264-A267 PolarHBondContact O-N 3.28Å; F264-S268 PolarHBondContact O-N 3.38Å; F264-S268 PolarHBondContact O-OG 3.28Å
265I98.8Very high97.1Very high0 Ų036.1 Ų36.10%017%0.169CC..Hα-helixtrans-61.6-46.2176.2-62.4166.3000110.1S240 L261 T262 A267 S268 Q269 I276 L296 L299S240-I265 WeakPolarHBondContact OG-CG1 3.32Å; L261-I265 HydrophobicContact CD1-CD1 4.47Å; L261-I265 HydrophobicContact CD1-CG1 4.43Å; L261-I265 HydrophobicContact CG-CD1 4.14Å; L261-I265 WeakPolarHBondContact O-CG1 3.45Å; L261-I265 PolarHBondContact O-N 3.42Å; T262-I265 PolarHBondContact O-N 3.21Å; I265-A267 VanDerWaalsContact C-N 3.34Å; I265-A267 PolarHBondContact O-N 3.49Å; I265-S268 PolarHBondContact O-N 2.91Å; I265-S268 VanDerWaalsContact O-N 3.08Å; I265-Q269 PolarHBondContact O-N 2.97Å; I265-I276 HydrophobicContact CG2-CD1 4.21Å; I265-L296 HydrophobicContact CD1-CD2 3.99Å; I265-L296 HydrophobicContact CD1-CG 4Å; I265-L296 HydrophobicContact CG2-CD1 3.87Å; I265-L296 HydrophobicContact CG2-CG 4.13Å; I265-L299 HydrophobicContact CD1-CD1 4.5Å
266L98.7Very high97.1Very high2 Ų230.6 Ų30.61%0.0115%0.148CC..Hα-helixtrans-62.6-41.6179.9-65.9172.9000112P15 K16 L18 T262 R263 S268 Q269 A326P15-L266 WeakPolarHBondContact CB-O 3.32Å; P15-L266 CarbonylContact O-C 3.33Å; K16-L266 WeakPolarHBondContact O-CD1 3.29Å; L18-L266 HydrophobicContact CB-CD2 3.89Å; L18-L266 HydrophobicContact CD1-CD2 4.08Å; T262-L266 HydrophobicContact CG2-CD1 3.83Å; T262-L266 HydrophobicContact CG2-CG 4.16Å; T262-L266 WeakPolarHBondContact O-CB 3.42Å; T262-L266 WeakPolarHBondContact O-CG 3.18Å; T262-L266 PolarHBondContact O-N 3.23Å; R263-L266 PolarHBondContact O-N 3.08Å; L266-S268 PolarHBondContact O-N 3.42Å; L266-Q269 VanDerWaalsContact CA-NE2 3.28Å; L266-Q269 WeakPolarHBondContact O-CB 3.4Å; L266-Q269 WeakPolarHBondContact O-CG 3.32Å; L266-Q269 PolarHBondContact O-N 3.25Å; L266-Q269 PolarHBondContact O-NE2 3.18Å; L266-A326 HydrophobicContact CD1-CB 3.63Å; L266-A326 HydrophobicContact CD2-CB 3.99Å; L266-A326 HydrophobicContact CG-CB 4.32Å
267A98.4Very high97.2Very high3 Ų330.2 Ų30.23%0.02515%0.146CC..Hα-helixtrans-64.4-20.7176.700000113.3L10 C14 P15 R263 F264 I265 P280L10-A267 HydrophobicContact CD1-CB 4.29Å; L10-A267 HydrophobicContact CD2-CB 3.88Å; C14-A267 HydrophobicContact CB-CB 3.68Å; P15-A267 PolarHBondContact O-N 2.89Å; R263-A267 VanDerWaalsContact O-CB 3.25Å; R263-A267 WeakPolarHBondContact O-CB 3.32Å; R263-A267 PolarHBondContact O-N 3.44Å; F264-A267 PolarHBondContact O-N 3.28Å; I265-A267 VanDerWaalsContact C-N 3.34Å; I265-A267 PolarHBondContact O-N 3.49Å; A267-P280 HydrophobicContact CB-CB 4.38Å; A267-P280 HydrophobicContact CB-CG 3.9Å; A267-P280 WeakPolarHBondContact O-CA 3.4Å; A267-P280 WeakPolarHBondContact O-CB 3.33Å
268S98.5Very high97.4Very high3 Ų325.3 Ų25.32%0.02113%0.126CC..THydrogen-bonded Turntrans-93.12.9-179.8-52.20000113.5F264 I265 L266 I276 A277 P280F264-S268 PolarHBondContact O-N 3.38Å; F264-S268 PolarHBondContact O-OG 3.28Å; I265-S268 PolarHBondContact O-N 2.91Å; I265-S268 VanDerWaalsContact O-N 3.08Å; L266-S268 PolarHBondContact O-N 3.42Å; S268-I276 WeakPolarHBondContact O-CA 3.32Å; S268-A277 PolarHBondContact O-N 2.87Å; S268-P280 WeakPolarHBondContact OG-CD 3.4Å
269Q98.5Very high97.5Very high9 Ų926.8 Ų26.84%0.04213%0.132CC..BIsolated β-bridgetrans-75.7147.1172.1-59.1171.5107.400110.5P15 E17 L19 H23 I265 L266 G275 I276P15-Q269 HydrophobicContact CB-CB 4.46Å; P15-Q269 HydrophobicContact CG-CB 4.43Å; E17-Q269 PolarHBondContact O-NE2 2.81Å; L19-Q269 HydrophobicContact CD1-CB 4.48Å; H23-Q269 PolarHBondContact CE1-OE1 2.88Å; H23-Q269 PolarHBondContact NE2-OE1 3.26Å; I265-Q269 PolarHBondContact O-N 2.97Å; L266-Q269 VanDerWaalsContact CA-NE2 3.28Å; L266-Q269 WeakPolarHBondContact O-CB 3.4Å; L266-Q269 WeakPolarHBondContact O-CG 3.32Å; L266-Q269 PolarHBondContact O-N 3.25Å; L266-Q269 PolarHBondContact O-NE2 3.18Å; Q269-G275 WeakPolarHBondContact CA-O 3.36Å; Q269-I276 HydrophobicContact CG-CG1 4.2Å
270D97.6Very high97.7Very high34 Ų3427.6 Ų27.618%0.18214%0.138CC..  trans-87.5113.1163.8173.23.9000109.3Q272 T273 G274 G275 P284D270-Q272 VanDerWaalsContact C-N 3.26Å; D270-Q272 PolarHBondContact O-N 3.49Å; D270-Q272 WeakPolarHBondContact OD1-CA 3.45Å; D270-Q272 WeakPolarHBondContact OD1-CB 3.31Å; D270-Q272 PolarHBondContact OD1-N 3.4Å; D270-T273 PolarHBondContact OD1-N 3.41Å; D270-T273 VanDerWaalsContact OD1-N 3.14Å; D270-T273 WeakPolarHBondContact OD2-CB 3.33Å; D270-T273 PolarHBondContact OD2-N 2.86Å; D270-T273 PolarHBondContact OD2-OG1 3.1Å; D270-G274 WeakPolarHBondContact CB-O 3.24Å; D270-G274 VanDerWaalsContact O-CA 3.23Å; D270-G274 WeakPolarHBondContact O-CA 3.42Å; D270-G274 PolarHBondContact O-N 3.46Å; D270-G275 PolarHBondContact N-O 2.93Å; D270-G275 VanDerWaalsContact N-O 3.13Å; D270-P284 HydrophobicContact CB-CG 3.89Å
271D96.2Very high97.6Very high83 Ų8329.7 Ų29.744%0.44417%0.169SC..THydrogen-bonded Turntrans-78.3-6.7-179.667.6-6000114.1P15 L19 K22P15-D271 HydrophobicContact CB-CB 4.49Å; P15-D271 HydrophobicContact CG-CB 3.91Å; L19-D271 HydrophobicContact CD1-CB 3.85Å; K22-D271 WeakPolarHBondContact CE-O 3.41Å; K22-D271 PolarHBondContact NZ-O 2.8Å
272Q95.9Very high97.5Very high154 Ų15433.5 Ų33.572%0.7219%0.189SC*.THydrogen-bonded Turntrans-92-60.6173.7-56.7-171.73.100110.2K22 D270K22-Q272 PolarHBondContact NZ-O 2.93Å; D270-Q272 VanDerWaalsContact C-N 3.26Å; D270-Q272 PolarHBondContact O-N 3.49Å; D270-Q272 WeakPolarHBondContact OD1-CA 3.45Å; D270-Q272 WeakPolarHBondContact OD1-CB 3.31Å; D270-Q272 PolarHBondContact OD1-N 3.4Å
273T94.8Very high97.5Very high53 Ų5340.5 Ų40.533%0.32523%0.225SC..THydrogen-bonded Turntrans-104.2-7.9-170.184.90000115R29 D270R29-T273 PolarHBondContact NH2-OG1 3.17Å; D270-T273 PolarHBondContact OD1-N 3.41Å; D270-T273 VanDerWaalsContact OD1-N 3.14Å; D270-T273 WeakPolarHBondContact OD2-CB 3.33Å; D270-T273 PolarHBondContact OD2-N 2.86Å; D270-T273 PolarHBondContact OD2-OG1 3.1Å
274G97.6Very high97.4Very high0 Ų037.1 Ų37.10%022%0.215CC..  trans78.9-174.7-172.100000112.7F26 D270 P284F26-G274 WeakPolarHBondContact CD2-O 3.39Å; D270-G274 WeakPolarHBondContact CB-O 3.24Å; D270-G274 VanDerWaalsContact O-CA 3.23Å; D270-G274 WeakPolarHBondContact O-CA 3.42Å; D270-G274 PolarHBondContact O-N 3.46Å; G274-P284 WeakPolarHBondContact O-CG 3.07Å
275G98.4Very high97.3Very high0 Ų039.4 Ų39.40%023%0.226CC..  trans77.7169.9-166.300000113.4H23 F26 Q269 D270 T289H23-G275 PolarHBondContact CE1-O 3.14Å; H23-G275 VanDerWaalsContact CE1-O 3.31Å; H23-G275 WeakPolarHBondContact ND1-CA 3.45Å; H23-G275 PolarHBondContact ND1-N 2.97Å; H23-G275 PolarHBondContact ND1-O 3.34Å; F26-G275 VanDerWaalsContact CD1-CA 3.44Å; Q269-G275 WeakPolarHBondContact CA-O 3.36Å; D270-G275 PolarHBondContact N-O 2.93Å; D270-G275 VanDerWaalsContact N-O 3.13Å; G275-T289 WeakPolarHBondContact CA-OG1 3.25Å
276I98.8Very high97.2Very high0 Ų040.7 Ų40.70%024%0.235CC..BIsolated β-bridgetrans-128.6135.3179.2-47.8177.8000107.6V237 I265 S268 Q269 D285 H288 T289 L293V237-I276 HydrophobicContact CG1-CG2 3.92Å; V237-I276 HydrophobicContact CG2-CG2 4.19Å; I265-I276 HydrophobicContact CG2-CD1 4.21Å; S268-I276 WeakPolarHBondContact O-CA 3.32Å; Q269-I276 HydrophobicContact CG-CG1 4.2Å; I276-D285 PolarHBondContact O-N 2.89Å; I276-H288 VanDerWaalsContact O-CB 3.3Å; I276-H288 WeakPolarHBondContact O-CB 3.19Å; I276-T289 HydrophobicContact CG1-CG2 4.45Å; I276-T289 PolarHBondContact N-OG1 3.21Å; I276-T289 PolarHBondContact O-N 3.19Å; I276-T289 PolarHBondContact O-OG1 2.98Å; I276-L293 HydrophobicContact CD1-CD2 4.43Å; I276-L293 HydrophobicContact CD1-CG 4.27Å
277A98.5Very high97.2Very high1 Ų143.1 Ų43.11%0.00825%0.246CC..  trans-95.5175.5176.600000111.7V237 S268 K279 N282 I283V237-A277 WeakPolarHBondContact CB-O 3.42Å; V237-A277 WeakPolarHBondContact CG2-O 3.16Å; S268-A277 PolarHBondContact O-N 2.87Å; A277-K279 PolarHBondContact O-N 3.42Å; A277-N282 HydrophobicContact CB-CB 3.77Å; A277-N282 WeakPolarHBondContact CB-O 3.44Å; A277-I283 WeakPolarHBondContact CB-O 3.41Å
278D98.4Very high97.2Very high31 Ų3144 Ų4417%0.16625%0.249CC..SBendtrans-60.8-34.3170.665.3-42.5000112D236 V237 N282D236-D278 WeakPolarHBondContact CA-O 3.49Å; V237-D278 WeakPolarHBondContact CG2-O 3.26Å; V237-D278 PolarHBondContact N-O 3.47Å; D278-N282 VanDerWaalsContact CG-ND2 3.33Å; D278-N282 VanDerWaalsContact OD1-CB 3.24Å; D278-N282 WeakPolarHBondContact OD1-CB 3.34Å; D278-N282 PolarHBondContact OD1-ND2 3.4Å; D278-N282 PolarHBondContact OD2-ND2 2.82Å
279K97.3Very high97.2Very high47 Ų4743.8 Ų43.820%0.20425%0.248CC..SBendtrans-147.4161.7-175.4-64.3172.1-166.4158.80112.6E8 P235 A277 G281 N282E8-K279 HydrophobicContact CG-CD 4.46Å; P235-K279 WeakPolarHBondContact O-CE 3.49Å; A277-K279 PolarHBondContact O-N 3.42Å; K279-G281 PolarHBondContact O-N 3.38Å; K279-N282 PolarHBondContact O-N 3.26Å
280P96.7Very high97.2Very high33 Ų3343.4 Ų43.421%0.21425%0.246CC..THydrogen-bonded Turntrans-54.6129.1173.8-2636000113.2L10 A267 S268 N282L10-P280 HydrophobicContact CD2-CG 3.68Å; A267-P280 HydrophobicContact CB-CB 4.38Å; A267-P280 HydrophobicContact CB-CG 3.9Å; A267-P280 WeakPolarHBondContact O-CA 3.4Å; A267-P280 WeakPolarHBondContact O-CB 3.33Å; S268-P280 WeakPolarHBondContact OG-CD 3.4Å; P280-N282 VanDerWaalsContact C-N 3.31Å; P280-N282 PolarHBondContact O-N 2.87Å
281G94.1Very high97.3Very high82 Ų8242 Ų4285%0.84524%0.239SC*.THydrogen-bonded Turntrans82.4-4.6177.400000115.8K279K279-G281 PolarHBondContact O-N 3.38Å
282N96.7Very high97.4Very high79 Ų7938.1 Ų38.142%0.42222%0.217SC..SBendtrans-80.2170.5172.9-77.4-0.9000112A277 D278 K279 P280A277-N282 HydrophobicContact CB-CB 3.77Å; A277-N282 WeakPolarHBondContact CB-O 3.44Å; D278-N282 VanDerWaalsContact CG-ND2 3.33Å; D278-N282 VanDerWaalsContact OD1-CB 3.24Å; D278-N282 WeakPolarHBondContact OD1-CB 3.34Å; D278-N282 PolarHBondContact OD1-ND2 3.4Å; D278-N282 PolarHBondContact OD2-ND2 2.82Å; K279-N282 PolarHBondContact O-N 3.26Å; P280-N282 VanDerWaalsContact C-N 3.31Å; P280-N282 PolarHBondContact O-N 2.87Å
283I96.4Very high97.6Very high148 Ų14830.8 Ų30.876%0.75918%0.183SC*.PPolyproline II helixtrans-76.8129.2178.5-61.9174000109.2A277A277-I283 WeakPolarHBondContact CB-O 3.41Å
284P97.6Very high97.8Very high18 Ų1828.2 Ų28.212%0.11717%0.168CC..PPolyproline II helixtrans-71.7151.9178.730.1-36.2000112.5F26 D270 G274F26-P284 HydrophobicContact CD2-CG 4.32Å; F26-P284 HydrophobicContact CE2-CB 3.99Å; F26-P284 HydrophobicContact CE2-CG 3.76Å; F26-P284 HydrophobicContact CZ-CB 4.04Å; F26-P284 HydrophobicContact CZ-CG 4.3Å; D270-P284 HydrophobicContact CB-CG 3.89Å; G274-P284 WeakPolarHBondContact O-CG 3.07Å
285D96.3Very high97.8Very high47 Ų4728.2 Ų28.225%0.25117%0.168SC..BIsolated β-bridgetrans-142.1161.2176.168.863.8000110.8I276 F287 H288 T289I276-D285 PolarHBondContact O-N 2.89Å; D285-F287 VanDerWaalsContact C-N 3.26Å; D285-F287 PolarHBondContact O-N 3.22Å; D285-F287 WeakPolarHBondContact OD1-CA 3.12Å; D285-F287 WeakPolarHBondContact OD1-CB 3.32Å; D285-F287 PolarHBondContact OD1-N 3.16Å; D285-H288 VanDerWaalsContact CG-ND1 3.31Å; D285-H288 IonicContact OD1-CG 2.7Å; D285-H288 PolarHBondContact OD1-N 3.16Å; D285-H288 IonicContact OD1-ND1 2.93Å; D285-H288 PolarHBondContact OD1-ND1 3.09Å; D285-H288 IonicContact OD2-CE1 2.95Å; D285-H288 IonicContact OD2-CG 2.87Å; D285-H288 IonicContact OD2-ND1 3.26Å; D285-H288 PolarHBondContact OD2-ND1 3.24Å; D285-T289 VanDerWaalsContact O-CB 3.27Å; D285-T289 WeakPolarHBondContact O-CB 3.37Å; D285-T289 PolarHBondContact O-N 3.33Å; D285-T289 PolarHBondContact O-OG1 3Å
286P96.8Very high97.8Very high28 Ų2828.2 Ų28.218%0.18217%0.168CC..Hα-helixtrans-65.2-25.8-178.423.5-34.4000114.2W48 V49 L290W48-P286 HydrophobicContact CB-CB 4.38Å; V49-P286 HydrophobicContact CG2-CB 3.56Å; V49-P286 HydrophobicContact CG2-CG 4.22Å; P286-L290 WeakPolarHBondContact O-CB 3.47Å; P286-L290 PolarHBondContact O-N 3.09Å
287F97.6Very high97.8Very high53 Ų5328.5 Ų28.523%0.23217%0.169CC..Hα-helixtrans-68.1-53.2179.1170.3-86.5000110.9W48 C238 W242 D285 T289 L290 F291W48-F287 HydrophobicContact CD2-CB 3.9Å; W48-F287 HydrophobicContact CD2-CD2 4.02Å; W48-F287 HydrophobicContact CD2-CG 4.46Å; W48-F287 AromaticContact CE2-CD2 3.61Å; W48-F287 HydrophobicContact CE3-CB 3.58Å; W48-F287 HydrophobicContact CE3-CD2 4.24Å; W48-F287 HydrophobicContact CE3-CG 4.44Å; W48-F287 HydrophobicContact CH2-CB 4.34Å; W48-F287 AromaticContact CH2-CD2 3.8Å; W48-F287 HydrophobicContact CH2-CD2 3.8Å; W48-F287 AromaticContact CZ2-CD2 3.52Å; W48-F287 HydrophobicContact CZ2-CD2 3.52Å; W48-F287 HydrophobicContact CZ2-CE2 4.17Å; W48-F287 HydrophobicContact CZ3-CB 3.83Å; W48-F287 HydrophobicContact CZ3-CD2 4.15Å; W48-F287 HydrophobicContact CZ3-CG 4.48Å; C238-F287 HydrophobicContact CB-CD1 4.42Å; C238-F287 HydrophobicContact CB-CE1 3.54Å; C238-F287 HydrophobicContact CB-CZ 4.15Å; W242-F287 HydrophobicContact CZ2-CE2 4.39Å; W242-F287 HydrophobicContact CZ2-CZ 4.2Å; D285-F287 VanDerWaalsContact C-N 3.26Å; D285-F287 PolarHBondContact O-N 3.22Å; D285-F287 WeakPolarHBondContact OD1-CA 3.12Å; D285-F287 WeakPolarHBondContact OD1-CB 3.32Å; D285-F287 PolarHBondContact OD1-N 3.16Å; F287-T289 VanDerWaalsContact C-N 3.33Å; F287-L290 PolarHBondContact O-N 3.2Å; F287-F291 AromaticContact CD1-CD2 3.96Å; F287-F291 HydrophobicContact CD1-CD2 3.96Å; F287-F291 HydrophobicContact CD1-CE2 4.19Å; F287-F291 HydrophobicContact CD2-CD2 4.13Å; F287-F291 AromaticContact CD2-CE2 3.55Å; F287-F291 HydrophobicContact CD2-CE2 3.55Å; F287-F291 AromaticContact CE1-CD2 3.84Å; F287-F291 HydrophobicContact CE1-CD2 3.84Å; F287-F291 AromaticContact CE1-CE2 3.98Å; F287-F291 HydrophobicContact CE1-CE2 3.98Å; F287-F291 HydrophobicContact CE2-CD2 4.07Å; F287-F291 AromaticContact CE2-CE2 3.36Å; F287-F291 HydrophobicContact CE2-CE2 3.36Å; F287-F291 HydrophobicContact CE2-CZ 4.34Å; F287-F291 HydrophobicContact CG-CD2 4.1Å; F287-F291 AromaticContact CG-CE2 3.99Å; F287-F291 HydrophobicContact CG-CE2 3.99Å; F287-F291 AromaticContact CZ-CD2 3.89Å; F287-F291 HydrophobicContact CZ-CD2 3.89Å; F287-F291 AromaticContact CZ-CE2 3.55Å; F287-F291 HydrophobicContact CZ-CE2 3.55Å; F287-F291 VanDerWaalsContact O-CD2 3.29Å; F287-F291 WeakPolarHBondContact O-CD2 3.31Å; F287-F291 PolarHBondContact O-N 3.25Å; F287-F291 VanDerWaalsContact O-N 3.07Å
288H98.8Very high97.7Very high20 Ų2028.8 Ų28.89%0.09317%0.171CC..Hα-helixtrans-70.5-31.7177.4-66.3100.2000111.7D236 V237 I276 D285 F291 G292D236-H288 IonicContact OD1-CD2 3.84Å; D236-H288 PolarHBondContact OD1-CD2 3.19Å; D236-H288 IonicContact OD1-NE2 3.87Å; D236-H288 PolarHBondContact OD1-NE2 3.2Å; D236-H288 IonicContact OD2-NE2 3.99Å; V237-H288 HydrophobicContact CG1-CB 4.39Å; I276-H288 VanDerWaalsContact O-CB 3.3Å; I276-H288 WeakPolarHBondContact O-CB 3.19Å; D285-H288 VanDerWaalsContact CG-ND1 3.31Å; D285-H288 IonicContact OD1-CG 2.7Å; D285-H288 PolarHBondContact OD1-N 3.16Å; D285-H288 IonicContact OD1-ND1 2.93Å; D285-H288 PolarHBondContact OD1-ND1 3.09Å; D285-H288 IonicContact OD2-CE1 2.95Å; D285-H288 IonicContact OD2-CG 2.87Å; D285-H288 IonicContact OD2-ND1 3.26Å; D285-H288 PolarHBondContact OD2-ND1 3.24Å; H288-F291 PolarHBondContact O-N 3.23Å; H288-G292 PolarHBondContact O-N 3.45Å
289T98.8Very high97.7Very high0 Ų027.3 Ų27.30%016%0.163CC..Hα-helixtrans-60.4-48.6172.5-56.90000111.6H23 F26 L27 G275 I276 D285 F287 L293H23-T289 HydrophobicContact CB-CG2 4.49Å; F26-T289 HydrophobicContact CD1-CG2 4.43Å; F26-T289 WeakPolarHBondContact CE1-OG1 3.45Å; L27-T289 HydrophobicContact CD1-CG2 4.29Å; L27-T289 HydrophobicContact CD2-CG2 3.98Å; L27-T289 HydrophobicContact CG-CG2 4.22Å; G275-T289 WeakPolarHBondContact CA-OG1 3.25Å; I276-T289 HydrophobicContact CG1-CG2 4.45Å; I276-T289 PolarHBondContact N-OG1 3.21Å; I276-T289 PolarHBondContact O-N 3.19Å; I276-T289 PolarHBondContact O-OG1 2.98Å; D285-T289 VanDerWaalsContact O-CB 3.27Å; D285-T289 WeakPolarHBondContact O-CB 3.37Å; D285-T289 PolarHBondContact O-N 3.33Å; D285-T289 PolarHBondContact O-OG1 3Å; F287-T289 VanDerWaalsContact C-N 3.33Å; T289-L293 HydrophobicContact CG2-CD1 4.11Å; T289-L293 WeakPolarHBondContact O-CB 3.4Å; T289-L293 VanDerWaalsContact O-CG 3.27Å; T289-L293 WeakPolarHBondContact O-CG 3.25Å; T289-L293 PolarHBondContact O-N 3Å; T289-L293 VanDerWaalsContact O-N 3.13Å
290L98.8Very high97.6Very high0 Ų025.1 Ų25.10%015%0.154CC..Hα-helixtrans-59.1-53.2174.117059.8000110.8Y47 W48 T51 A52 L55 P286 F287 G292 L293 A294Y47-L290 HydrophobicContact CE1-CD2 4.22Å; W48-L290 HydrophobicContact CB-CB 4.32Å; W48-L290 HydrophobicContact CB-CD2 4.16Å; W48-L290 HydrophobicContact CG-CD2 4.37Å; T51-L290 HydrophobicContact CG2-CD1 3.54Å; T51-L290 HydrophobicContact CG2-CD2 4.24Å; A52-L290 HydrophobicContact CB-CB 4.25Å; A52-L290 HydrophobicContact CB-CD1 4.28Å; L55-L290 HydrophobicContact CD1-CD1 3.97Å; P286-L290 WeakPolarHBondContact O-CB 3.47Å; P286-L290 PolarHBondContact O-N 3.09Å; F287-L290 PolarHBondContact O-N 3.2Å; L290-G292 VanDerWaalsContact C-N 3.33Å; L290-G292 PolarHBondContact O-N 2.6Å; L290-L293 PolarHBondContact O-N 3.44Å; L290-A294 HydrophobicContact CD1-CB 4.3Å; L290-A294 WeakPolarHBondContact O-CB 3.48Å; L290-A294 PolarHBondContact O-N 3.36Å
291F98.9Very high97.2Very high6 Ų627.2 Ų27.23%0.02616%0.161CC..Hα-helixtrans-70.7-27.9-171.7-68.1-39.9000114.3C238 W241 W242 F287 H288 G295C238-F291 HydrophobicContact CB-CD2 4.07Å; W241-F291 HydrophobicContact CB-CB 3.61Å; W241-F291 HydrophobicContact CB-CD1 3.37Å; W241-F291 HydrophobicContact CB-CE1 4.24Å; W241-F291 HydrophobicContact CB-CG 3.66Å; W241-F291 AromaticContact CD1-CD1 3.4Å; W241-F291 AromaticContact CD1-CE1 3.35Å; W241-F291 HydrophobicContact CD2-CD1 4.12Å; W241-F291 HydrophobicContact CD2-CE1 4.5Å; W241-F291 HydrophobicContact CG-CB 4.49Å; W241-F291 AromaticContact CG-CD1 3.32Å; W241-F291 HydrophobicContact CG-CD1 3.32Å; W241-F291 AromaticContact CG-CE1 3.78Å; W241-F291 HydrophobicContact CG-CE1 3.78Å; W241-F291 HydrophobicContact CG-CG 4.11Å; W241-F291 AromaticContact NE1-CE1 3.92Å; W242-F291 AromaticContact CH2-CE1 3.96Å; W242-F291 HydrophobicContact CH2-CE1 3.96Å; W242-F291 AromaticContact CH2-CE2 3.78Å; W242-F291 HydrophobicContact CH2-CE2 3.78Å; W242-F291 AromaticContact CH2-CZ 3.31Å; W242-F291 HydrophobicContact CH2-CZ 3.31Å; W242-F291 HydrophobicContact CZ2-CD2 4.13Å; W242-F291 HydrophobicContact CZ2-CE1 4.24Å; W242-F291 AromaticContact CZ2-CE2 3.34Å; W242-F291 HydrophobicContact CZ2-CE2 3.34Å; W242-F291 AromaticContact CZ2-CZ 3.42Å; W242-F291 HydrophobicContact CZ2-CZ 3.42Å; W242-F291 VanDerWaalsContact CZ2-CZ 3.42Å; W242-F291 HydrophobicContact CZ3-CE1 4.41Å; W242-F291 HydrophobicContact CZ3-CZ 4.18Å; F287-F291 AromaticContact CD1-CD2 3.96Å; F287-F291 HydrophobicContact CD1-CD2 3.96Å; F287-F291 HydrophobicContact CD1-CE2 4.19Å; F287-F291 HydrophobicContact CD2-CD2 4.13Å; F287-F291 AromaticContact CD2-CE2 3.55Å; F287-F291 HydrophobicContact CD2-CE2 3.55Å; F287-F291 AromaticContact CE1-CD2 3.84Å; F287-F291 HydrophobicContact CE1-CD2 3.84Å; F287-F291 AromaticContact CE1-CE2 3.98Å; F287-F291 HydrophobicContact CE1-CE2 3.98Å; F287-F291 HydrophobicContact CE2-CD2 4.07Å; F287-F291 AromaticContact CE2-CE2 3.36Å; F287-F291 HydrophobicContact CE2-CE2 3.36Å; F287-F291 HydrophobicContact CE2-CZ 4.34Å; F287-F291 HydrophobicContact CG-CD2 4.1Å; F287-F291 AromaticContact CG-CE2 3.99Å; F287-F291 HydrophobicContact CG-CE2 3.99Å; F287-F291 AromaticContact CZ-CD2 3.89Å; F287-F291 HydrophobicContact CZ-CD2 3.89Å; F287-F291 AromaticContact CZ-CE2 3.55Å; F287-F291 HydrophobicContact CZ-CE2 3.55Å; F287-F291 VanDerWaalsContact O-CD2 3.29Å; F287-F291 WeakPolarHBondContact O-CD2 3.31Å; F287-F291 PolarHBondContact O-N 3.25Å; F287-F291 VanDerWaalsContact O-N 3.07Å; H288-F291 PolarHBondContact O-N 3.23Å; F291-G295 PolarHBondContact O-N 3.11Å
292G98.9Very high96.8Very high0 Ų024.4 Ų24.40%013%0.127CC..Hα-helixtrans-64.6-50.7167.400000111.9H288 L290 G295 L296H288-G292 PolarHBondContact O-N 3.45Å; L290-G292 VanDerWaalsContact C-N 3.33Å; L290-G292 PolarHBondContact O-N 2.6Å; G292-G295 PolarHBondContact O-N 3.49Å; G292-L296 WeakPolarHBondContact O-CG 3.39Å; G292-L296 PolarHBondContact O-N 3.24Å
293L98.9Very high95.9Very high0 Ų025 Ų250%013%0.13CC..Hα-helixtrans-65.8-41.3179.5-68.3175.9000112.6L18 L20 A52 L55 L56 I276 T289 L290 L296 S297 L334L18-L293 HydrophobicContact CD1-CD2 4.5Å; L20-L293 HydrophobicContact CD2-CD2 4.06Å; A52-L293 HydrophobicContact CB-CD1 4.28Å; L55-L293 HydrophobicContact CD1-CB 4.36Å; L56-L293 HydrophobicContact CD1-CD1 4.16Å; L56-L293 HydrophobicContact CD2-CD1 4.48Å; L56-L293 HydrophobicContact CG-CD1 4.33Å; I276-L293 HydrophobicContact CD1-CD2 4.43Å; I276-L293 HydrophobicContact CD1-CG 4.27Å; T289-L293 HydrophobicContact CG2-CD1 4.11Å; T289-L293 WeakPolarHBondContact O-CB 3.4Å; T289-L293 VanDerWaalsContact O-CG 3.27Å; T289-L293 WeakPolarHBondContact O-CG 3.25Å; T289-L293 PolarHBondContact O-N 3Å; T289-L293 VanDerWaalsContact O-N 3.13Å; L290-L293 PolarHBondContact O-N 3.44Å; L293-L296 PolarHBondContact O-N 2.86Å; L293-S297 WeakPolarHBondContact O-CB 3.24Å; L293-S297 PolarHBondContact O-N 3.41Å; L293-L334 HydrophobicContact CD2-CD1 4.33Å; L293-L334 HydrophobicContact CD2-CD2 4.41Å
294A98.8Very high94.8Very high0 Ų021 Ų210%012%0.116CC..Hα-helixtrans-64.4-42.4176.500000111.4L55 W241 L290 S297 L298 I337L55-A294 HydrophobicContact CD1-CB 4.29Å; W241-A294 HydrophobicContact CD2-CB 4.19Å; W241-A294 HydrophobicContact CE3-CB 3.41Å; W241-A294 VanDerWaalsContact CE3-CB 3.41Å; W241-A294 HydrophobicContact CZ3-CB 3.67Å; L290-A294 HydrophobicContact CD1-CB 4.3Å; L290-A294 WeakPolarHBondContact O-CB 3.48Å; L290-A294 PolarHBondContact O-N 3.36Å; A294-S297 PolarHBondContact O-N 3.09Å; A294-L298 PolarHBondContact O-N 3.09Å; A294-L298 VanDerWaalsContact O-N 3.08Å; A294-I337 HydrophobicContact CB-CD1 3.48Å; A294-I337 VanDerWaalsContact CB-CD1 3.48Å
295G98.7Very high93.2Very high0 Ų021.3 Ų21.30%011%0.114CC..Hα-helixtrans-58.9-48.8172.100000112.2S240 F291 G292 S297 L298 L299S240-G295 WeakPolarHBondContact O-CA 3.13Å; F291-G295 PolarHBondContact O-N 3.11Å; G292-G295 PolarHBondContact O-N 3.49Å; G295-S297 VanDerWaalsContact C-N 3.32Å; G295-S297 PolarHBondContact O-N 3.47Å; G295-L298 PolarHBondContact O-N 2.84Å; G295-L299 VanDerWaalsContact O-CG 3.25Å; G295-L299 WeakPolarHBondContact O-CG 3.42Å; G295-L299 PolarHBondContact O-N 3.01Å
296L98.7Very high91.8Very high0 Ų021.2 Ų21.20%011%0.112CC..Hα-helixtrans-60-40.1175.5-71.2171000112.5L18 T262 I265 G292 L293 L298 L299 A300 L327 A330 L334L18-L296 HydrophobicContact CD1-CD1 3.61Å; L18-L296 HydrophobicContact CD2-CD1 4.31Å; T262-L296 HydrophobicContact CG2-CD2 3.9Å; I265-L296 HydrophobicContact CD1-CD2 3.99Å; I265-L296 HydrophobicContact CD1-CG 4Å; I265-L296 HydrophobicContact CG2-CD1 3.87Å; I265-L296 HydrophobicContact CG2-CG 4.13Å; G292-L296 WeakPolarHBondContact O-CG 3.39Å; G292-L296 PolarHBondContact O-N 3.24Å; L293-L296 PolarHBondContact O-N 2.86Å; L296-L298 VanDerWaalsContact C-N 3.34Å; L296-L298 PolarHBondContact O-N 2.88Å; L296-L299 PolarHBondContact O-N 3.39Å; L296-A300 WeakPolarHBondContact O-CB 3.38Å; L296-A300 PolarHBondContact O-N 3.02Å; L296-L327 HydrophobicContact CD2-CD2 4.38Å; L296-A330 HydrophobicContact CB-CB 4.25Å; L296-L334 HydrophobicContact CB-CD1 4.3Å
297S98.3Very high90.2Very high5 Ų524.4 Ų24.44%0.03514%0.135CC..Hα-helixtrans-60.8-39.9175.8176.90000112.1L293 A294 G295 Q301 K335 I337L293-S297 WeakPolarHBondContact O-CB 3.24Å; L293-S297 PolarHBondContact O-N 3.41Å; A294-S297 PolarHBondContact O-N 3.09Å; G295-S297 VanDerWaalsContact C-N 3.32Å; G295-S297 PolarHBondContact O-N 3.47Å; S297-Q301 WeakPolarHBondContact O-CG 3.19Å; S297-Q301 PolarHBondContact O-NE2 2.89Å; S297-K335 PolarHBondContact OG-O 3.19Å; S297-I337 PolarHBondContact OG-N 2.83Å
298L97.5Very high88.2Confident8 Ų824.9 Ų24.94%0.04215%0.145CC..Hα-helixtrans-70.9-45.6175.4-71.2-178.7000112.5W241 V244 A245 A248 A294 G295 L296 A300 Q301 I337 P339W241-L298 HydrophobicContact CE3-CD1 4Å; W241-L298 HydrophobicContact CH2-CD1 4.01Å; W241-L298 HydrophobicContact CZ3-CD1 3.41Å; W241-L298 VanDerWaalsContact CZ3-CD1 3.41Å; W241-L298 HydrophobicContact CZ3-CG 3.93Å; V244-L298 HydrophobicContact CG1-CB 3.83Å; V244-L298 HydrophobicContact CG1-CD1 3.92Å; A245-L298 HydrophobicContact CB-CD1 4.03Å; A248-L298 HydrophobicContact CB-CD1 4.44Å; A294-L298 PolarHBondContact O-N 3.09Å; A294-L298 VanDerWaalsContact O-N 3.08Å; G295-L298 PolarHBondContact O-N 2.84Å; L296-L298 VanDerWaalsContact C-N 3.34Å; L296-L298 PolarHBondContact O-N 2.88Å; L298-A300 VanDerWaalsContact C-N 3.25Å; L298-A300 PolarHBondContact O-N 2.83Å; L298-Q301 PolarHBondContact O-N 2.95Å; L298-Q301 VanDerWaalsContact O-N 3.14Å; L298-I337 HydrophobicContact CD2-CG2 3.73Å; L298-I337 WeakPolarHBondContact CD2-O 3.02Å; L298-I337 HydrophobicContact CG-CG2 3.7Å; L298-P339 HydrophobicContact CD1-CB 4.03Å; L298-P339 HydrophobicContact CD2-CB 4.03Å
299L97Very high85.9Confident0 Ų029.8 Ų29.80%018%0.178CC..Hα-helixtrans-60.3-38.4178.9-64.4168000111.4V244 L253 Q258 L261 I265 G295 L296 Q301 V302 L327V244-L299 HydrophobicContact CG1-CD2 4.28Å; V244-L299 HydrophobicContact CG1-CG 4.36Å; L253-L299 HydrophobicContact CD1-CD2 3.97Å; L253-L299 HydrophobicContact CD2-CD2 4.39Å; L253-L299 HydrophobicContact CG-CD2 4.4Å; Q258-L299 HydrophobicContact CB-CD2 3.92Å; Q258-L299 HydrophobicContact CG-CD2 3.67Å; Q258-L299 PolarHBondContact OE1-O 3.46Å; L261-L299 HydrophobicContact CD2-CD1 3.98Å; L261-L299 HydrophobicContact CD2-CD2 4.45Å; L261-L299 HydrophobicContact CG-CD1 4.29Å; I265-L299 HydrophobicContact CD1-CD1 4.5Å; G295-L299 VanDerWaalsContact O-CG 3.25Å; G295-L299 WeakPolarHBondContact O-CG 3.42Å; G295-L299 PolarHBondContact O-N 3.01Å; L296-L299 PolarHBondContact O-N 3.39Å; L299-Q301 PolarHBondContact O-N 2.89Å; L299-Q301 VanDerWaalsContact O-N 3.15Å; L299-V302 PolarHBondContact O-N 2.93Å; L299-L327 HydrophobicContact CB-CD2 3.63Å
300A95.3Very high83.7Confident1 Ų136.3 Ų36.31%0.00821%0.207CC..THydrogen-bonded Turntrans-65.4-14.3179.200000114.6L296 L298 F306 A330 R331L296-A300 WeakPolarHBondContact O-CB 3.38Å; L296-A300 PolarHBondContact O-N 3.02Å; L298-A300 VanDerWaalsContact C-N 3.25Å; L298-A300 PolarHBondContact O-N 2.83Å; A300-F306 VanDerWaalsContact O-CE2 3.27Å; A300-F306 WeakPolarHBondContact O-CE2 3.4Å; A300-A330 HydrophobicContact CB-CB 3.96Å; A300-R331 HydrophobicContact CB-CB 3.93Å; A300-R331 WeakPolarHBondContact O-CD 3.45Å; A300-R331 PolarHBondContact O-NH1 2.98Å
301Q89.3Confident81.2Confident77 Ų7745.5 Ų45.536%0.3625%0.247SC..THydrogen-bonded Turntrans-89.7-5.2179.1-6717045.400113.6S297 L298 L299 D303 T336S297-Q301 WeakPolarHBondContact O-CG 3.19Å; S297-Q301 PolarHBondContact O-NE2 2.89Å; L298-Q301 PolarHBondContact O-N 2.95Å; L298-Q301 VanDerWaalsContact O-N 3.14Å; L299-Q301 PolarHBondContact O-N 2.89Å; L299-Q301 VanDerWaalsContact O-N 3.15Å; Q301-D303 PolarHBondContact O-N 3.09Å; Q301-D303 VanDerWaalsContact O-N 3.11Å; Q301-T336 VanDerWaalsContact CD-CG2 3.49Å
302V85.7Confident78.7Confident22 Ų2250.6 Ų50.613%0.13327%0.272CS..  trans-80.795.4-178.8-173.80000111L253 T254 L299 S304 Y305L253-V302 HydrophobicContact CD2-CG2 3.6Å; L253-V302 HydrophobicContact CG-CG2 4.07Å; T254-V302 HydrophobicContact CG2-CG1 3.83Å; L299-V302 PolarHBondContact O-N 2.93Å; V302-S304 VanDerWaalsContact C-N 3.3Å; V302-S304 WeakPolarHBondContact CG1-OG 3.45Å; V302-S304 PolarHBondContact O-N 3.49Å; V302-Y305 VanDerWaalsContact O-CB 3.3Å; V302-Y305 WeakPolarHBondContact O-CB 3.49Å; V302-Y305 PolarHBondContact O-N 3.07Å; V302-Y305 VanDerWaalsContact O-N 3.15Å
303D77.6Confident76.1Confident92 Ų9260 Ų6049%0.49232%0.316SS..Hα-helixtrans-60.1-29.8-173.2-71.7-27.1000115.9Q301 Y305 F306 S307 R331Q301-D303 PolarHBondContact O-N 3.09Å; Q301-D303 VanDerWaalsContact O-N 3.11Å; D303-Y305 PolarHBondContact O-N 3.22Å; D303-Y305 VanDerWaalsContact O-N 3.12Å; D303-F306 PolarHBondContact O-N 3.2Å; D303-F306 VanDerWaalsContact O-N 3.12Å; D303-S307 PolarHBondContact O-N 3.27Å; D303-S307 PolarHBondContact O-OG 3.17Å; D303-R331 IonicContact OD1-CZ 3.21Å; D303-R331 VanDerWaalsContact OD1-CZ 3.26Å; D303-R331 IonicContact OD1-NH1 3.82Å; D303-R331 PolarHBondContact OD1-NH1 3.35Å; D303-R331 IonicContact OD1-NH2 2.76Å; D303-R331 PolarHBondContact OD1-NH2 2.81Å
304S71.9Confident73.6Confident65 Ų6566.6 Ų66.646%0.45535%0.351SS..Hα-helixtrans-60.4-24.7178.959.20000112.4V302 S308V302-S304 VanDerWaalsContact C-N 3.3Å; V302-S304 WeakPolarHBondContact CG1-OG 3.45Å; V302-S304 PolarHBondContact O-N 3.49Å; S304-S308 PolarHBondContact O-OG 2.9Å
305Y64.7Low70.7Confident23 Ų2369.3 Ų69.39%0.0938%0.379CS..Hα-helixtrans-71.7-39.5177.4-175.2-106.6000112.9T259 V302 D303 F324 L327T259-Y305 HydrophobicContact CG2-CE2 3.56Å; T259-Y305 WeakPolarHBondContact CG2-OH 3.44Å; V302-Y305 VanDerWaalsContact O-CB 3.3Å; V302-Y305 WeakPolarHBondContact O-CB 3.49Å; V302-Y305 PolarHBondContact O-N 3.07Å; V302-Y305 VanDerWaalsContact O-N 3.15Å; D303-Y305 PolarHBondContact O-N 3.22Å; D303-Y305 VanDerWaalsContact O-N 3.12Å; Y305-F324 HydrophobicContact CD1-CD2 4.14Å; Y305-F324 HydrophobicContact CD1-CE2 4.2Å; Y305-F324 HydrophobicContact CE1-CB 4.42Å; Y305-F324 AromaticContact CE1-CD2 3.25Å; Y305-F324 HydrophobicContact CE1-CD2 3.25Å; Y305-F324 AromaticContact CE1-CE2 3.75Å; Y305-F324 HydrophobicContact CE1-CE2 3.75Å; Y305-F324 HydrophobicContact CE1-CG 4.15Å; Y305-F324 AromaticContact CZ-CD2 3.51Å; Y305-F324 WeakPolarHBondContact OH-CA 3.23Å; Y305-F324 WeakPolarHBondContact OH-CB 3.32Å; Y305-F324 WeakPolarHBondContact OH-CD2 3.24Å; Y305-L327 HydrophobicContact CD1-CD1 4.12Å; Y305-L327 HydrophobicContact CE1-CB 4.3Å; Y305-L327 HydrophobicContact CE1-CD1 3.57Å
306F67.9Low68.4Low45 Ų4575.9 Ų75.920%0.19741%0.414CS..Hα-helixtrans-86.2-19.5-178.6-59.5-81.9000112.7A300 D303 S308 F324 L327 Q328 R331A300-F306 VanDerWaalsContact O-CE2 3.27Å; A300-F306 WeakPolarHBondContact O-CE2 3.4Å; D303-F306 PolarHBondContact O-N 3.2Å; D303-F306 VanDerWaalsContact O-N 3.12Å; F306-S308 PolarHBondContact O-N 3.46Å; F306-F324 HydrophobicContact CD1-CE2 4.12Å; F306-F324 HydrophobicContact CD1-CZ 4.14Å; F306-F324 HydrophobicContact CE1-CE2 4.47Å; F306-L327 HydrophobicContact CZ-CB 4.17Å; F306-Q328 HydrophobicContact CE1-CB 4.33Å; F306-R331 HydrophobicContact CZ-CB 4.46Å
307S62Low66.2Low95 Ų9583 Ų8366%0.66445%0.452SS*.SBendtrans-71.4-16.5175.3-58.50000113.6D303 P309D303-S307 PolarHBondContact O-N 3.27Å; D303-S307 PolarHBondContact O-OG 3.17Å; S307-P309 WeakPolarHBondContact O-CD 3.41Å
308S56.7Low64.1Low64 Ų6486.8 Ų86.845%0.44849%0.491SS..SBendtrans-100.3110.3-177.2-57.60000110.4S304 F306 K310S304-S308 PolarHBondContact O-OG 2.9Å; F306-S308 PolarHBondContact O-N 3.46Å; S308-K310 VanDerWaalsContact C-N 3.3Å; S308-K310 PolarHBondContact O-N 3.19Å
309P49.9Very low62.5Low122 Ų12291.2 Ų91.279%0.79252%0.519SS*.  trans-68.491.1172.426.9-31.2000108.4S307 K311S307-P309 WeakPolarHBondContact O-CD 3.41Å; P309-K311 PolarHBondContact O-N 3.49Å
310K52.9Low61.7Low138 Ų13897.4 Ų97.460%0.655%0.548SS*.  trans-71.477.1169.8-73.7-168.2179-175.70108.8S308 M312S308-K310 VanDerWaalsContact C-N 3.3Å; S308-K310 PolarHBondContact O-N 3.19Å; K310-M312 PolarHBondContact O-N 3.39Å
311K46.6Very low61.4Low193 Ų19399.5 Ų99.584%0.83956%0.558SS**  trans-62.1113.3145.7-73.5-174.8176.7179.10104.7P309 E313P309-K311 PolarHBondContact O-N 3.49Å; K311-E313 PolarHBondContact O-N 3.13Å; K311-E313 VanDerWaalsContact O-N 3.08Å
312M46.6Very low61.6Low113 Ų11398.5 Ų98.556%0.55756%0.559SS**  trans-47.8120.6177.1-70.1175.154.500109.6K310 N314K310-M312 PolarHBondContact O-N 3.39Å; M312-N314 WeakPolarHBondContact CB-O 3.25Å; M312-N314 VanDerWaalsContact CE-O 3.28Å; M312-N314 WeakPolarHBondContact CE-O 3.19Å; M312-N314 PolarHBondContact O-N 3.07Å
313E43.9Very low61.9Low197 Ų19797.5 Ų97.592%0.92155%0.552SS**SBendtrans-68.8-9.1175.4-88.7-175.3159.300112.7K311K311-E313 PolarHBondContact O-N 3.13Å; K311-E313 VanDerWaalsContact O-N 3.08Å
314N45.6Very low62.6Low138 Ų13895.3 Ų95.374%0.73854%0.539SS*.SBendtrans-124.4117.2171-73.9-33.1000108.4M312M312-N314 WeakPolarHBondContact CB-O 3.25Å; M312-N314 VanDerWaalsContact CE-O 3.28Å; M312-N314 WeakPolarHBondContact CE-O 3.19Å; M312-N314 PolarHBondContact O-N 3.07Å
315G38.6Very low63.6Low58 Ų5894.9 Ų94.960%0.59853%0.533SS*.  trans-61.1160.2-162.400000115.6
316L49Very low65.1Low138 Ų13893.9 Ų93.972%0.72353%0.53SS*.SBendtrans164.7102.8140.7-85151.4000107.7G318L316-G318 PolarHBondContact O-N 3.37Å
317N52.6Low66.4Low150 Ų15091.7 Ų91.780%0.80252%0.52SS*.THydrogen-bonded Turntrans63.924.9155.9-61.7-8.9000121V319N317-V319 HydrophobicContact CB-CG2 4.45Å; N317-V319 PolarHBondContact O-N 3.2Å
318G54.9Low67.9Low83 Ų8390.5 Ų90.586%0.85650%0.504SS*.THydrogen-bonded Turntrans60.622.3168.600000114.4L316L316-G318 PolarHBondContact O-N 3.37Å
319V63.9Low69.8Low102 Ų10289.7 Ų89.762%0.61850%0.496SS*.PPolyproline II helixtrans-81.7121.3173.3-175.80000107.5N317N317-V319 HydrophobicContact CB-CG2 4.45Å; N317-V319 PolarHBondContact O-N 3.2Å
320E81.2Confident72.1Confident130 Ų13083.9 Ų83.961%0.60746%0.459SS*.PPolyproline II helixtrans-66143.1176.9-65.8-176.3160.800110.9P322 V325E320-P322 WeakPolarHBondContact O-CD 3.49Å; E320-V325 HydrophobicContact CB-CG2 3.66Å
321D88.6Confident74.1Confident44 Ų4482.1 Ų82.124%0.23545%0.448CS..PPolyproline II helixtrans-57.9121.9175178.6-4.1000109.4R263 A323 F324 V325R263-D321 IonicContact CZ-OD1 3.69Å; R263-D321 IonicContact CZ-OD2 3.4Å; R263-D321 IonicContact NE-OD1 2.77Å; R263-D321 IonicContact NH2-OD1 3.9Å; R263-D321 PolarHBondContact NH2-OD1 3.29Å; R263-D321 IonicContact NH2-OD2 3.92Å; R263-D321 PolarHBondContact NH2-OD2 3.48Å; D321-A323 PolarHBondContact O-N 3.41Å; D321-A323 VanDerWaalsContact O-N 3.09Å; D321-A323 WeakPolarHBondContact OD1-CB 3.47Å; D321-A323 PolarHBondContact OD1-N 3.42Å; D321-F324 HydrophobicContact CB-CB 4Å; D321-F324 WeakPolarHBondContact O-CA 3.25Å; D321-F324 VanDerWaalsContact O-CB 3.27Å; D321-F324 WeakPolarHBondContact O-CB 3.16Å; D321-F324 PolarHBondContact O-N 3.38Å; D321-V325 PolarHBondContact O-N 2.98Å
322P91.9Very high76.4Confident57 Ų5778.1 Ų78.137%0.3744%0.436SS..Hα-helixtrans-55.1-32.2-179.2-26.634.2000113.6K16 E320 V325 A326K16-P322 HydrophobicContact CB-CB 3.98Å; K16-P322 HydrophobicContact CB-CG 4.41Å; K16-P322 WeakPolarHBondContact O-CB 3.48Å; E320-P322 WeakPolarHBondContact O-CD 3.49Å; P322-V325 PolarHBondContact O-N 3Å; P322-A326 WeakPolarHBondContact O-CB 3.48Å; P322-A326 PolarHBondContact O-N 2.87Å
323A93.3Very high78.8Confident0 Ų079.4 Ų79.40%044%0.439CS..Hα-helixtrans-66.7-37.617500000112.3T259 T262 R263 D321 L327T259-A323 HydrophobicContact CG2-CB 4.35Å; T262-A323 HydrophobicContact CG2-CB 4.03Å; R263-A323 HydrophobicContact CG-CB 3.81Å; D321-A323 PolarHBondContact O-N 3.41Å; D321-A323 VanDerWaalsContact O-N 3.09Å; D321-A323 WeakPolarHBondContact OD1-CB 3.47Å; D321-A323 PolarHBondContact OD1-N 3.42Å; A323-L327 WeakPolarHBondContact O-CG 3.46Å; A323-L327 PolarHBondContact O-N 3.14Å
324F91.8Very high81.4Confident47 Ų4770.7 Ų70.721%0.20640%0.398CS..Hα-helixtrans-64.8-46.5174.1-179.2-89.3000110.6Y305 F306 D321 A326 L327 Q328Y305-F324 HydrophobicContact CD1-CD2 4.14Å; Y305-F324 HydrophobicContact CD1-CE2 4.2Å; Y305-F324 HydrophobicContact CE1-CB 4.42Å; Y305-F324 AromaticContact CE1-CD2 3.25Å; Y305-F324 HydrophobicContact CE1-CD2 3.25Å; Y305-F324 AromaticContact CE1-CE2 3.75Å; Y305-F324 HydrophobicContact CE1-CE2 3.75Å; Y305-F324 HydrophobicContact CE1-CG 4.15Å; Y305-F324 AromaticContact CZ-CD2 3.51Å; Y305-F324 WeakPolarHBondContact OH-CA 3.23Å; Y305-F324 WeakPolarHBondContact OH-CB 3.32Å; Y305-F324 WeakPolarHBondContact OH-CD2 3.24Å; F306-F324 HydrophobicContact CD1-CE2 4.12Å; F306-F324 HydrophobicContact CD1-CZ 4.14Å; F306-F324 HydrophobicContact CE1-CE2 4.47Å; D321-F324 HydrophobicContact CB-CB 4Å; D321-F324 WeakPolarHBondContact O-CA 3.25Å; D321-F324 VanDerWaalsContact O-CB 3.27Å; D321-F324 WeakPolarHBondContact O-CB 3.16Å; D321-F324 PolarHBondContact O-N 3.38Å; F324-A326 VanDerWaalsContact C-N 3.32Å; F324-A326 PolarHBondContact O-N 3.24Å; F324-L327 PolarHBondContact O-N 3.42Å; F324-Q328 WeakPolarHBondContact O-CB 3.35Å; F324-Q328 PolarHBondContact O-N 2.85Å
325V93.9Very high83.9Confident55 Ų5566.5 Ų66.533%0.33337%0.374SS..Hα-helixtrans-61.1-41.1177.7179.10000111.4E320 D321 P322 Q328 T329E320-V325 HydrophobicContact CB-CG2 3.66Å; D321-V325 PolarHBondContact O-N 2.98Å; P322-V325 PolarHBondContact O-N 3Å; V325-Q328 PolarHBondContact O-N 3.3Å; V325-T329 WeakPolarHBondContact O-CB 3.48Å; V325-T329 PolarHBondContact O-N 3.2Å; V325-T329 PolarHBondContact O-OG1 3.15Å
326A96.2Very high86.7Confident2 Ų267 Ų672%0.01737%0.365CS..Hα-helixtrans-63.9-43175.900000112.2L18 T262 L266 P322 F324 T329 A330L18-A326 HydrophobicContact CB-CB 4.12Å; T262-A326 HydrophobicContact CG2-CB 3.95Å; L266-A326 HydrophobicContact CD1-CB 3.63Å; L266-A326 HydrophobicContact CD2-CB 3.99Å; L266-A326 HydrophobicContact CG-CB 4.32Å; P322-A326 WeakPolarHBondContact O-CB 3.48Å; P322-A326 PolarHBondContact O-N 2.87Å; F324-A326 VanDerWaalsContact C-N 3.32Å; F324-A326 PolarHBondContact O-N 3.24Å; A326-T329 WeakPolarHBondContact O-CB 3.41Å; A326-T329 PolarHBondContact O-N 3.26Å; A326-A330 WeakPolarHBondContact O-CB 3.38Å; A326-A330 PolarHBondContact O-N 2.86Å
327L95.2Very high89.1Confident0 Ų060.4 Ų60.40%033%0.33CS..Hα-helixtrans-65.5-38.9175.4-74.6172.5000112.2T262 L296 L299 Y305 F306 A323 F324 T329 A330 R331T262-L327 HydrophobicContact CG2-CG 4.19Å; T262-L327 WeakPolarHBondContact OG1-CD2 3.4Å; L296-L327 HydrophobicContact CD2-CD2 4.38Å; L299-L327 HydrophobicContact CB-CD2 3.63Å; Y305-L327 HydrophobicContact CD1-CD1 4.12Å; Y305-L327 HydrophobicContact CE1-CB 4.3Å; Y305-L327 HydrophobicContact CE1-CD1 3.57Å; F306-L327 HydrophobicContact CZ-CB 4.17Å; A323-L327 WeakPolarHBondContact O-CG 3.46Å; A323-L327 PolarHBondContact O-N 3.14Å; F324-L327 PolarHBondContact O-N 3.42Å; L327-T329 VanDerWaalsContact C-N 3.32Å; L327-A330 PolarHBondContact O-N 3.38Å; L327-R331 WeakPolarHBondContact O-CB 3.36Å; L327-R331 PolarHBondContact O-N 2.87Å
328Q93.5Very high91.2Very high70 Ų7053.4 Ų53.433%0.32729%0.293SS..Hα-helixtrans-63.5-40.1173.5-172.165.311.900111.2F306 F324 V325 R331 N332F306-Q328 HydrophobicContact CE1-CB 4.33Å; F324-Q328 WeakPolarHBondContact O-CB 3.35Å; F324-Q328 PolarHBondContact O-N 2.85Å; V325-Q328 PolarHBondContact O-N 3.3Å; Q328-R331 PolarHBondContact O-N 2.71Å; Q328-N332 WeakPolarHBondContact O-CB 3.27Å; Q328-N332 VanDerWaalsContact O-CG 3.23Å; Q328-N332 PolarHBondContact O-N 3.33Å; Q328-N332 VanDerWaalsContact O-N 3.16Å; Q328-N332 PolarHBondContact O-ND2 3.17Å
329T96Very high93.3Very high46 Ų4650.1 Ų50.128%0.28226%0.256SS..Hα-helixtrans-64.7-48.2175.4-59.70000110.9L18 L20 V325 A326 L327 R331 N332 K333L18-T329 HydrophobicContact CD2-CG2 4.3Å; L20-T329 HydrophobicContact CD1-CG2 4.05Å; V325-T329 WeakPolarHBondContact O-CB 3.48Å; V325-T329 PolarHBondContact O-N 3.2Å; V325-T329 PolarHBondContact O-OG1 3.15Å; A326-T329 WeakPolarHBondContact O-CB 3.41Å; A326-T329 PolarHBondContact O-N 3.26Å; L327-T329 VanDerWaalsContact C-N 3.32Å; T329-R331 VanDerWaalsContact C-N 3.34Å; T329-R331 PolarHBondContact O-N 3.11Å; T329-N332 PolarHBondContact O-N 3.17Å; T329-N332 VanDerWaalsContact O-N 3.16Å; T329-K333 HydrophobicContact CG2-CG 4.19Å; T329-K333 VanDerWaalsContact O-CB 3.25Å; T329-K333 WeakPolarHBondContact O-CB 3.42Å; T329-K333 WeakPolarHBondContact O-CG 3.32Å; T329-K333 PolarHBondContact O-N 2.79Å
330A97.1Very high95Very high1 Ų145.2 Ų45.21%0.00823%0.227CC..Hα-helixtrans-56.5-46.5175.400000111.4L18 L296 A300 A326 L327 N332 K333 L334L18-A330 HydrophobicContact CD2-CB 4.07Å; L296-A330 HydrophobicContact CB-CB 4.25Å; A300-A330 HydrophobicContact CB-CB 3.96Å; A326-A330 WeakPolarHBondContact O-CB 3.38Å; A326-A330 PolarHBondContact O-N 2.86Å; L327-A330 PolarHBondContact O-N 3.38Å; A330-N332 VanDerWaalsContact C-N 3.26Å; A330-N332 PolarHBondContact O-N 2.89Å; A330-K333 PolarHBondContact O-N 3.22Å; A330-L334 HydrophobicContact CB-CD1 3.92Å; A330-L334 HydrophobicContact CB-CG 4.4Å; A330-L334 WeakPolarHBondContact O-CB 3.44Å; A330-L334 PolarHBondContact O-N 3.23Å
331R94.9Very high95.8Very high101 Ų10139 Ų3938%0.38120%0.198SC..Hα-helixtrans-57.4-37.6177.5-168.3172.6178.1124.2-2.2113.1A300 D303 F306 L327 Q328 T329A300-R331 HydrophobicContact CB-CB 3.93Å; A300-R331 WeakPolarHBondContact O-CD 3.45Å; A300-R331 PolarHBondContact O-NH1 2.98Å; D303-R331 IonicContact OD1-CZ 3.21Å; D303-R331 VanDerWaalsContact OD1-CZ 3.26Å; D303-R331 IonicContact OD1-NH1 3.82Å; D303-R331 PolarHBondContact OD1-NH1 3.35Å; D303-R331 IonicContact OD1-NH2 2.76Å; D303-R331 PolarHBondContact OD1-NH2 2.81Å; F306-R331 HydrophobicContact CZ-CB 4.46Å; L327-R331 WeakPolarHBondContact O-CB 3.36Å; L327-R331 PolarHBondContact O-N 2.87Å; Q328-R331 PolarHBondContact O-N 2.71Å; T329-R331 VanDerWaalsContact C-N 3.34Å; T329-R331 PolarHBondContact O-N 3.11Å
332N95.2Very high96.3Very high108 Ų10837 Ų3758%0.57819%0.187SC*.Hα-helixtrans-91.3-21.1-174.6-66.9-31.6000113.9Q328 T329 A330Q328-N332 WeakPolarHBondContact O-CB 3.27Å; Q328-N332 VanDerWaalsContact O-CG 3.23Å; Q328-N332 PolarHBondContact O-N 3.33Å; Q328-N332 VanDerWaalsContact O-N 3.16Å; Q328-N332 PolarHBondContact O-ND2 3.17Å; T329-N332 PolarHBondContact O-N 3.17Å; T329-N332 VanDerWaalsContact O-N 3.16Å; A330-N332 VanDerWaalsContact C-N 3.26Å; A330-N332 PolarHBondContact O-N 2.89Å
333K97.5Very high96.6Very high141 Ų14134.3 Ų34.361%0.61317%0.17SC*.Hα-helixtrans-122.9-22.9-168.4-62.1-64-173.3-179.70114.5L20 T329 A330L20-K333 HydrophobicContact CD1-CB 3.54Å; L20-K333 HydrophobicContact CD1-CG 4.2Å; T329-K333 HydrophobicContact CG2-CG 4.19Å; T329-K333 VanDerWaalsContact O-CB 3.25Å; T329-K333 WeakPolarHBondContact O-CB 3.42Å; T329-K333 WeakPolarHBondContact O-CG 3.32Å; T329-K333 PolarHBondContact O-N 2.79Å; A330-K333 PolarHBondContact O-N 3.22Å
334L98.2Very high96.9Very high13 Ų1334.3 Ų34.37%0.06817%0.17CC..SBendtrans-93.1139.7173.1-61.2-179.9000109.8L20 L55 L56 L293 L296 A330L20-L334 HydrophobicContact CD2-CD2 3.95Å; L55-L334 CarbonylContact O-C 3.55Å; L55-L334 WeakPolarHBondContact O-CA 3.16Å; L56-L334 HydrophobicContact CD2-CD2 3.62Å; L56-L334 HydrophobicContact CG-CD2 4.37Å; L293-L334 HydrophobicContact CD2-CD1 4.33Å; L293-L334 HydrophobicContact CD2-CD2 4.41Å; L296-L334 HydrophobicContact CB-CD1 4.3Å; A330-L334 HydrophobicContact CB-CD1 3.92Å; A330-L334 HydrophobicContact CB-CG 4.4Å; A330-L334 WeakPolarHBondContact O-CB 3.44Å; A330-L334 PolarHBondContact O-N 3.23Å
335K98.3Very high97.2Very high51 Ų5134.5 Ų34.522%0.22217%0.171CC..PPolyproline II helixtrans-62.1146.5166.6-60.6-173.8-171.4169.60109.8D54 L55 D57 S297 I337 Y346D54-K335 WeakPolarHBondContact O-CD 3.24Å; D54-K335 WeakPolarHBondContact O-CE 3.35Å; D54-K335 PolarHBondContact O-NZ 3.36Å; D54-K335 IonicContact OD1-NZ 3.56Å; D54-K335 PolarHBondContact OD1-NZ 2.9Å; L55-K335 HydrophobicContact CD2-CB 4.37Å; L55-K335 WeakPolarHBondContact CD2-O 3.4Å; L55-K335 PolarHBondContact O-N 3.4Å; D57-K335 WeakPolarHBondContact OD1-CE 3.36Å; D57-K335 IonicContact OD1-NZ 2.71Å; D57-K335 PolarHBondContact OD1-NZ 2.55Å; S297-K335 PolarHBondContact OG-O 3.19Å; K335-I337 PolarHBondContact O-N 3.09Å; K335-Y346 HydrophobicContact CD-CD1 4.14Å; K335-Y346 HydrophobicContact CD-CE1 4.01Å
336T98Very high97.4Very high67 Ų6736.4 Ų36.441%0.41117%0.173SC..PPolyproline II helixtrans-58.6129.8168.8-57.20000109.4Q301 P344 Q345Q301-T336 VanDerWaalsContact CD-CG2 3.49Å; T336-P344 WeakPolarHBondContact O-CA 3.3Å; T336-Q345 HydrophobicContact CG2-CB 3.8Å; T336-Q345 HydrophobicContact CG2-CG 4.27Å; T336-Q345 WeakPolarHBondContact O-CB 3.46Å; T336-Q345 PolarHBondContact O-N 3.09Å
337I98.3Very high97.5Very high1 Ų136.3 Ų36.31%0.00517%0.172CC..EExtended strand (participates in β ladder)trans-105.6144.2174.8-155.9178.5000111.5L55 W241 A294 S297 L298 K335 C342 M343L55-I337 HydrophobicContact CD1-CD1 4.04Å; L55-I337 HydrophobicContact CD2-CB 3.87Å; L55-I337 HydrophobicContact CD2-CD1 4.18Å; L55-I337 HydrophobicContact CD2-CG1 4.08Å; W241-I337 HydrophobicContact CH2-CD1 3.96Å; W241-I337 HydrophobicContact CH2-CG1 4.34Å; W241-I337 HydrophobicContact CH2-CG2 4.11Å; W241-I337 HydrophobicContact CZ3-CD1 3.93Å; W241-I337 HydrophobicContact CZ3-CG2 3.72Å; A294-I337 HydrophobicContact CB-CD1 3.48Å; A294-I337 VanDerWaalsContact CB-CD1 3.48Å; S297-I337 PolarHBondContact OG-N 2.83Å; L298-I337 HydrophobicContact CD2-CG2 3.73Å; L298-I337 WeakPolarHBondContact CD2-O 3.02Å; L298-I337 HydrophobicContact CG-CG2 3.7Å; K335-I337 PolarHBondContact O-N 3.09Å; I337-C342 HydrophobicContact CD1-CB 4.44Å; I337-C342 VanDerWaalsContact CD1-SG 3.6Å; I337-M343 WeakPolarHBondContact CG1-O 3.34Å
338N98.4Very high97.7Very high3 Ų336.4 Ų36.42%0.01617%0.173CC..EExtended strand (participates in β ladder)trans-79.7126.8173.9179.2-90.6000111.3W241 V340 L341 C342 M343 Q345 I348W241-N338 WeakPolarHBondContact CH2-O 3.4Å; N338-V340 PolarHBondContact O-N 3.23Å; N338-V340 WeakPolarHBondContact OD1-CA 3.4Å; N338-V340 WeakPolarHBondContact OD1-CB 3.46Å; N338-V340 PolarHBondContact OD1-N 2.91Å; N338-L341 PolarHBondContact OD1-N 3.08Å; N338-C342 PolarHBondContact O-N 2.86Å; N338-C342 VanDerWaalsContact O-N 3.15Å; N338-M343 WeakPolarHBondContact CB-O 3.34Å; N338-M343 PolarHBondContact N-O 3.04Å; N338-Q345 PolarHBondContact ND2-OE1 3.49Å; N338-I348 HydrophobicContact CB-CD1 4.36Å; N338-I348 HydrophobicContact CB-CG1 3.57Å
339P98.4Very high97.9Very high13 Ų1337.7 Ų37.78%0.08418%0.182CC..THydrogen-bonded Turntrans-71-13.2-174.530.3-37000113.9Y193 A245 A248 I249 L298 L357Y193-P339 WeakPolarHBondContact CE2-O 3.34Å; A245-P339 HydrophobicContact CB-CB 4.41Å; A245-P339 WeakPolarHBondContact CB-O 3.39Å; A248-P339 HydrophobicContact CB-CB 3.96Å; A248-P339 HydrophobicContact CB-CG 4.47Å; I249-P339 HydrophobicContact CG1-CB 4.17Å; I249-P339 HydrophobicContact CG1-CG 4.28Å; L298-P339 HydrophobicContact CD1-CB 4.03Å; L298-P339 HydrophobicContact CD2-CB 4.03Å; P339-L357 HydrophobicContact CG-CD1 4.41Å; P339-L357 HydrophobicContact CG-CD2 4.3Å
340V98.8Very high98Very high0 Ų039.6 Ų39.60%018%0.184CC..THydrogen-bonded Turntrans-90.7-48.3-178.2-177.90000111.2F143 Y193 A200 I201 I249 N338 F355 L357F143-V340 WeakPolarHBondContact CZ-O 3.38Å; Y193-V340 PolarHBondContact OH-O 2.7Å; A200-V340 HydrophobicContact CB-CG1 4.5Å; A200-V340 HydrophobicContact CB-CG2 4.12Å; I201-V340 HydrophobicContact CD1-CG1 3.96Å; I201-V340 HydrophobicContact CG1-CG1 3.7Å; I249-V340 HydrophobicContact CD1-CG2 3.84Å; I249-V340 HydrophobicContact CG1-CG2 3.88Å; N338-V340 PolarHBondContact O-N 3.23Å; N338-V340 WeakPolarHBondContact OD1-CA 3.4Å; N338-V340 WeakPolarHBondContact OD1-CB 3.46Å; N338-V340 PolarHBondContact OD1-N 2.91Å; V340-F355 HydrophobicContact CB-CD1 3.75Å; V340-F355 HydrophobicContact CB-CE1 3.96Å; V340-F355 HydrophobicContact CB-CG 4.08Å; V340-F355 HydrophobicContact CB-CZ 4.48Å; V340-F355 HydrophobicContact CG1-CD1 3.57Å; V340-F355 HydrophobicContact CG1-CE1 3.76Å; V340-F355 HydrophobicContact CG1-CG 4.34Å; V340-F355 HydrophobicContact CG2-CB 3.95Å; V340-F355 HydrophobicContact CG2-CD1 3.9Å; V340-F355 HydrophobicContact CG2-CD2 4.44Å; V340-F355 HydrophobicContact CG2-CG 3.82Å; V340-L357 HydrophobicContact CG2-CD2 3.72Å
341L98.6Very high98.1Very high0 Ų041.4 Ų41.40%019%0.193CC..THydrogen-bonded Turntrans-101.8-2.6-172.8-67.5-176.6000114.9Q99 F143 A147 I151 I201 N338 M343 I348 L353 F355Q99-L341 PolarHBondContact NE2-O 3.33Å; F143-L341 HydrophobicContact CZ-CD2 4.42Å; A147-L341 HydrophobicContact CB-CD2 3.65Å; I151-L341 HydrophobicContact CD1-CD1 4.11Å; I151-L341 HydrophobicContact CG1-CD1 3.77Å; I201-L341 HydrophobicContact CD1-CD2 3.99Å; N338-L341 PolarHBondContact OD1-N 3.08Å; L341-M343 VanDerWaalsContact C-N 3.27Å; L341-M343 HydrophobicContact CB-CG 4.3Å; L341-M343 HydrophobicContact CB-SD 4.4Å; L341-M343 WeakPolarHBondContact O-CG 2.99Å; L341-M343 PolarHBondContact O-N 3.28Å; L341-I348 HydrophobicContact CB-CD1 4.25Å; L341-I348 HydrophobicContact CD1-CD1 3.84Å; L341-L353 HydrophobicContact CD1-CD1 3.79Å; L341-F355 HydrophobicContact CD1-CE1 3.94Å; L341-F355 HydrophobicContact CD1-CZ 3.6Å; L341-F355 HydrophobicContact CG-CE1 3.87Å; L341-F355 HydrophobicContact CG-CZ 3.81Å
342C98.6Very high98.3Very high2 Ų244.4 Ų44.41%0.01421%0.212CC..THydrogen-bonded Turntrans50.549.8-173.3-161.70000111.4Y47 T51 W241 I337 N338Y47-C342 WeakPolarHBondContact OH-CB 3.44Å; Y47-C342 PolarHBondContact OH-O 3.29Å; T51-C342 WeakPolarHBondContact CG2-O 3.37Å; W241-C342 HydrophobicContact CD2-CB 4.45Å; W241-C342 VanDerWaalsContact CE2-CB 3.49Å; W241-C342 HydrophobicContact CH2-CB 3.87Å; W241-C342 HydrophobicContact CZ2-CB 3.18Å; W241-C342 VanDerWaalsContact CZ2-SG 3.56Å; I337-C342 HydrophobicContact CD1-CB 4.44Å; I337-C342 VanDerWaalsContact CD1-SG 3.6Å; N338-C342 PolarHBondContact O-N 2.86Å; N338-C342 VanDerWaalsContact O-N 3.15Å
343M98.6Very high98.4Very high0 Ų040.3 Ų40.30%019%0.19CC..EExtended strand (participates in β ladder)trans-133.5146.6177.8-67.3-178.876.100109.1Q99 A102 I151 I337 N338 L341 Q345 I347 I348Q99-M343 HydrophobicContact CB-CE 4.3Å; Q99-M343 HydrophobicContact CB-SD 4.09Å; Q99-M343 HydrophobicContact CG-SD 3.85Å; Q99-M343 WeakPolarHBondContact O-CE 3.34Å; A102-M343 HydrophobicContact CB-CE 3.88Å; I151-M343 HydrophobicContact CD1-SD 4.31Å; I337-M343 WeakPolarHBondContact CG1-O 3.34Å; N338-M343 WeakPolarHBondContact CB-O 3.34Å; N338-M343 PolarHBondContact N-O 3.04Å; L341-M343 VanDerWaalsContact C-N 3.27Å; L341-M343 HydrophobicContact CB-CG 4.3Å; L341-M343 HydrophobicContact CB-SD 4.4Å; L341-M343 WeakPolarHBondContact O-CG 2.99Å; L341-M343 PolarHBondContact O-N 3.28Å; M343-Q345 PolarHBondContact O-N 3.04Å; M343-I347 HydrophobicContact CE-CB 4.42Å; M343-I347 HydrophobicContact CE-CD1 4.15Å; M343-I347 HydrophobicContact CE-CG2 3.64Å; M343-I348 HydrophobicContact CB-CD1 4.09Å
344P98.5Very high98.5Very high0 Ų041.3 Ų41.30%019%0.194CC..EExtended strand (participates in β ladder)trans-50.5134.4172.7-34.140.7000112.5D54 L55 T336 Y346 I347D54-P344 HydrophobicContact CB-CG 4.15Å; D54-P344 WeakPolarHBondContact OD2-CG 3.31Å; L55-P344 HydrophobicContact CD2-CG 4.06Å; L55-P344 HydrophobicContact CG-CG 4.41Å; T336-P344 WeakPolarHBondContact O-CA 3.3Å; P344-Y346 HydrophobicContact CB-CD1 3.61Å; P344-Y346 HydrophobicContact CB-CE1 3.59Å; P344-Y346 HydrophobicContact CG-CE1 4.43Å; P344-Y346 PolarHBondContact O-N 3.39Å; P344-Y346 VanDerWaalsContact O-N 3.17Å; P344-I347 HydrophobicContact CB-CD1 4.24Å; P344-I347 HydrophobicContact CG-CD1 4.38Å; P344-I347 WeakPolarHBondContact O-CB 3.27Å; P344-I347 PolarHBondContact O-N 3.12Å
345Q98.4Very high98.5Very high50 Ų5042 Ų4223%0.23420%0.197CC..Hα-helixtrans-60.2-31.6-171.3-17559.347.100112.2T336 N338 M343 I347 I348 D349T336-Q345 HydrophobicContact CG2-CB 3.8Å; T336-Q345 HydrophobicContact CG2-CG 4.27Å; T336-Q345 WeakPolarHBondContact O-CB 3.46Å; T336-Q345 PolarHBondContact O-N 3.09Å; N338-Q345 PolarHBondContact ND2-OE1 3.49Å; M343-Q345 PolarHBondContact O-N 3.04Å; Q345-I347 PolarHBondContact O-N 3.15Å; Q345-I348 WeakPolarHBondContact O-CA 3.4Å; Q345-I348 VanDerWaalsContact O-CB 3.31Å; Q345-I348 WeakPolarHBondContact O-CB 3.49Å; Q345-I348 PolarHBondContact O-N 3.12Å; Q345-I348 VanDerWaalsContact O-N 3.08Å; Q345-D349 PolarHBondContact NE2-OD1 3.06Å; Q345-D349 PolarHBondContact O-N 2.92Å
346Y98.4Very high98.5Very high95 Ų9541.4 Ų41.437%0.37320%0.195SC..Hα-helixtrans-62.8-29177.485.8-89.2000113.2D54 K335 P344 R350D54-Y346 PolarHBondContact OD1-OH 2.9Å; D54-Y346 WeakPolarHBondContact OD2-CE1 3.35Å; D54-Y346 PolarHBondContact OD2-OH 2.63Å; D54-Y346 VanDerWaalsContact OD2-OH 3.04Å; K335-Y346 HydrophobicContact CD-CD1 4.14Å; K335-Y346 HydrophobicContact CD-CE1 4.01Å; P344-Y346 HydrophobicContact CB-CD1 3.61Å; P344-Y346 HydrophobicContact CB-CE1 3.59Å; P344-Y346 HydrophobicContact CG-CE1 4.43Å; P344-Y346 PolarHBondContact O-N 3.39Å; P344-Y346 VanDerWaalsContact O-N 3.17Å; Y346-R350 WeakPolarHBondContact O-CB 3.41Å; Y346-R350 PolarHBondContact O-N 2.76Å
347I98.6Very high98.5Very high0 Ų042.3 Ų42.30%020%0.197CC..Hα-helixtrans-72.5-42.3174.9-62.4165000109.7D54 M103 M343 P344 Q345 D349 R350 L351D54-I347 WeakPolarHBondContact OD2-CD1 3.14Å; M103-I347 HydrophobicContact CB-CD1 4.11Å; M103-I347 HydrophobicContact CG-CD1 3.85Å; M343-I347 HydrophobicContact CE-CB 4.42Å; M343-I347 HydrophobicContact CE-CD1 4.15Å; M343-I347 HydrophobicContact CE-CG2 3.64Å; P344-I347 HydrophobicContact CB-CD1 4.24Å; P344-I347 HydrophobicContact CG-CD1 4.38Å; P344-I347 WeakPolarHBondContact O-CB 3.27Å; P344-I347 PolarHBondContact O-N 3.12Å; Q345-I347 PolarHBondContact O-N 3.15Å; I347-D349 VanDerWaalsContact C-N 3.29Å; I347-D349 PolarHBondContact O-N 3.22Å; I347-R350 PolarHBondContact O-N 3.03Å; I347-L351 HydrophobicContact CG2-CD1 4Å; I347-L351 HydrophobicContact CG2-CG 4.4Å; I347-L351 WeakPolarHBondContact O-CB 3.28Å; I347-L351 WeakPolarHBondContact O-CG 3.47Å; I347-L351 PolarHBondContact O-N 3.34Å
348I98.7Very high98.4Very high2 Ų247.6 Ų47.61%0.0122%0.224CC..Hα-helixtrans-58.8-44.4175.3-59.8-47000110.8N338 L341 M343 Q345 L351 Q352 L353 F355N338-I348 HydrophobicContact CB-CD1 4.36Å; N338-I348 HydrophobicContact CB-CG1 3.57Å; L341-I348 HydrophobicContact CB-CD1 4.25Å; L341-I348 HydrophobicContact CD1-CD1 3.84Å; M343-I348 HydrophobicContact CB-CD1 4.09Å; Q345-I348 WeakPolarHBondContact O-CA 3.4Å; Q345-I348 VanDerWaalsContact O-CB 3.31Å; Q345-I348 WeakPolarHBondContact O-CB 3.49Å; Q345-I348 PolarHBondContact O-N 3.12Å; Q345-I348 VanDerWaalsContact O-N 3.08Å; I348-L351 CarbonylContact O-C 3.59Å; I348-L351 PolarHBondContact O-N 2.81Å; I348-Q352 PolarHBondContact O-N 3Å; I348-L353 HydrophobicContact CD1-CD1 4.12Å; I348-L353 HydrophobicContact CG2-CB 4.14Å; I348-L353 PolarHBondContact O-N 2.79Å; I348-L353 VanDerWaalsContact O-N 3.13Å; I348-F355 HydrophobicContact CG2-CE2 3.61Å; I348-F355 HydrophobicContact CG2-CZ 4.32Å
349D98.7Very high98.4Very high98 Ų9849.9 Ų49.952%0.52424%0.235SC..Hα-helixtrans-66.4-43.2178.6-61.2-22.8000111.3Q345 I347 L351 Q352Q345-D349 PolarHBondContact NE2-OD1 3.06Å; Q345-D349 PolarHBondContact O-N 2.92Å; I347-D349 VanDerWaalsContact C-N 3.29Å; I347-D349 PolarHBondContact O-N 3.22Å; D349-L351 VanDerWaalsContact C-N 3.32Å; D349-L351 PolarHBondContact O-N 3.4Å; D349-Q352 PolarHBondContact O-N 3.27Å
350R98.5Very high98.4Very high85 Ų8551.8 Ų51.832%0.32124%0.242SC..Hα-helixtrans-59.1-42.6174.8175.1170.352.681.82.3111.9A102 D105 Y346 I347 Q352A102-R350 PolarHBondContact O-NH1 3.28Å; A102-R350 PolarHBondContact O-NH2 3.49Å; D105-R350 IonicContact OD1-CZ 3.16Å; D105-R350 IonicContact OD1-NH1 3.44Å; D105-R350 PolarHBondContact OD1-NH1 3.41Å; Y346-R350 WeakPolarHBondContact O-CB 3.41Å; Y346-R350 PolarHBondContact O-N 2.76Å; I347-R350 PolarHBondContact O-N 3.03Å; R350-Q352 PolarHBondContact O-N 3.24Å
351L98.5Very high98.3Very high39 Ų3954.7 Ų54.720%0.20426%0.256CS..THydrogen-bonded Turntrans-80.2-4.5177.7-65.3178.3000113.4A102 L107 I151 I347 I348 D349 L353A102-L351 HydrophobicContact CB-CD1 3.95Å; L107-L351 HydrophobicContact CD1-CD1 4.48Å; L107-L351 HydrophobicContact CD1-CD2 3.95Å; I151-L351 HydrophobicContact CG2-CD1 4.05Å; I347-L351 HydrophobicContact CG2-CD1 4Å; I347-L351 HydrophobicContact CG2-CG 4.4Å; I347-L351 WeakPolarHBondContact O-CB 3.28Å; I347-L351 WeakPolarHBondContact O-CG 3.47Å; I347-L351 PolarHBondContact O-N 3.34Å; I348-L351 CarbonylContact O-C 3.59Å; I348-L351 PolarHBondContact O-N 2.81Å; D349-L351 VanDerWaalsContact C-N 3.32Å; D349-L351 PolarHBondContact O-N 3.4Å; L351-L353 HydrophobicContact CB-CD1 3.92Å; L351-L353 HydrophobicContact CB-CD2 4.31Å; L351-L353 HydrophobicContact CB-CG 3.67Å; L351-L353 HydrophobicContact CD1-CD1 3.91Å; L351-L353 PolarHBondContact O-N 3.23Å
352Q98.5Very high98.3Very high164 Ų16457.9 Ų57.977%0.76627%0.271SS*.THydrogen-bonded Turntrans55.431.2-179.4-53.7-177.5-12.900113.8I348 D349 R350I348-Q352 PolarHBondContact O-N 3Å; D349-Q352 PolarHBondContact O-N 3.27Å; R350-Q352 PolarHBondContact O-N 3.24Å
353L98.5Very high98.3Very high23 Ų2361.4 Ų61.412%0.1229%0.287CS..  trans-74.2141.7-178.7-58.6173.8000110.2H150 I151 L341 I348 L351 F355H150-L353 WeakPolarHBondContact O-CD2 3.33Å; I151-L353 HydrophobicContact CG1-CD1 4.1Å; L341-L353 HydrophobicContact CD1-CD1 3.79Å; I348-L353 HydrophobicContact CD1-CD1 4.12Å; I348-L353 HydrophobicContact CG2-CB 4.14Å; I348-L353 PolarHBondContact O-N 2.79Å; I348-L353 VanDerWaalsContact O-N 3.13Å; L351-L353 HydrophobicContact CB-CD1 3.92Å; L351-L353 HydrophobicContact CB-CD2 4.31Å; L351-L353 HydrophobicContact CB-CG 3.67Å; L351-L353 HydrophobicContact CD1-CD1 3.91Å; L351-L353 PolarHBondContact O-N 3.23Å; L353-F355 HydrophobicContact CB-CE2 4.13Å; L353-F355 HydrophobicContact CB-CZ 3.87Å
354K98.2Very high98.3Very high161 Ų16165.5 Ų65.570%0.731%0.306SS*.  trans-128.6136.7-175.1-66.8-176.8-177.8177.60110.4H150H150-K354 PolarHBondContact NE2-N 3.46Å; H150-K354 PolarHBondContact NE2-O 2.97Å
355F98.5Very high98.3Very high28 Ų2870.1 Ų70.112%0.12333%0.328CS..  trans-126156.9-179.4-47.3-81.7000110.5H150 I201 V340 L341 I348 L353 L357H150-F355 AromaticContact CD2-CE1 3.66Å; H150-F355 AromaticContact NE2-CE1 3.77Å; I201-F355 HydrophobicContact CG1-CD1 3.69Å; I201-F355 HydrophobicContact CG1-CE1 3.77Å; V340-F355 HydrophobicContact CB-CD1 3.75Å; V340-F355 HydrophobicContact CB-CE1 3.96Å; V340-F355 HydrophobicContact CB-CG 4.08Å; V340-F355 HydrophobicContact CB-CZ 4.48Å; V340-F355 HydrophobicContact CG1-CD1 3.57Å; V340-F355 HydrophobicContact CG1-CE1 3.76Å; V340-F355 HydrophobicContact CG1-CG 4.34Å; V340-F355 HydrophobicContact CG2-CB 3.95Å; V340-F355 HydrophobicContact CG2-CD1 3.9Å; V340-F355 HydrophobicContact CG2-CD2 4.44Å; V340-F355 HydrophobicContact CG2-CG 3.82Å; L341-F355 HydrophobicContact CD1-CE1 3.94Å; L341-F355 HydrophobicContact CD1-CZ 3.6Å; L341-F355 HydrophobicContact CG-CE1 3.87Å; L341-F355 HydrophobicContact CG-CZ 3.81Å; I348-F355 HydrophobicContact CG2-CE2 3.61Å; I348-F355 HydrophobicContact CG2-CZ 4.32Å; L353-F355 HydrophobicContact CB-CE2 4.13Å; L353-F355 HydrophobicContact CB-CZ 3.87Å; F355-L357 HydrophobicContact CB-CD2 4.12Å; F355-L357 HydrophobicContact CB-CG 4.37Å
356Q98.6Very high98.2Very high39 Ų3971.7 Ų71.718%0.18234%0.335CS..  trans-85107.7163-173.6-17719.100108.7A200 R203 L205 L358A200-Q356 WeakPolarHBondContact CB-O 3.17Å; A200-Q356 PolarHBondContact O-N 2.84Å; R203-Q356 VanDerWaalsContact CA-OE1 3.32Å; R203-Q356 HydrophobicContact CB-CB 4.18Å; R203-Q356 HydrophobicContact CG-CB 4.35Å; R203-Q356 PolarHBondContact O-OE1 3.08Å; L205-Q356 HydrophobicContact CD1-CB 4.27Å; L205-Q356 HydrophobicContact CD1-CG 4.03Å; L205-Q356 WeakPolarHBondContact CD1-O 3.13Å; L205-Q356 HydrophobicContact CG-CG 4.36Å; Q356-L358 HydrophobicContact CG-CD2 4.39Å
357L97.6Very high98.2Very high86 Ų8669.8 Ų69.845%0.4533%0.332SS..  trans-111.1146.2168.3-49.4-179.4000107.8I249 P339 V340 F355I249-L357 HydrophobicContact CB-CD2 4.3Å; I249-L357 HydrophobicContact CG1-CD2 3.92Å; I249-L357 HydrophobicContact CG2-CD2 4.19Å; P339-L357 HydrophobicContact CG-CD1 4.41Å; P339-L357 HydrophobicContact CG-CD2 4.3Å; V340-L357 HydrophobicContact CG2-CD2 3.72Å; F355-L357 HydrophobicContact CB-CD2 4.12Å; F355-L357 HydrophobicContact CB-CG 4.37Å
358L96.1Very high98.2Very high112 Ų11276.1 Ų76.159%0.58636%0.363SS*.  trans-106.60-173.8-60-178.5000113.8L205 I210 I249 G251 Q356L205-L358 HydrophobicContact CD1-CD1 4.27Å; L205-L358 HydrophobicContact CD1-CG 4.04Å; I210-L358 HydrophobicContact CD1-CD1 3.97Å; I210-L358 HydrophobicContact CG1-CD1 3.92Å; I210-L358 HydrophobicContact CG2-CD1 3.97Å; I249-L358 PolarHBondContact O-N 2.87Å; G251-L358 WeakPolarHBondContact CA-O 3.47Å; G251-L358 PolarHBondContact N-O 3.31Å; Q356-L358 HydrophobicContact CG-CD2 4.39Å

Retrieved 358 of 358 residues in 118 ms (Link to these results)

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