A0A061ICA2_CRIGR Loading...

Bestrophin

Forms calcium-sensitive chloride channels. Permeable to bicarbonate.

AlphaFold DB , UniProt , Accession A0A061ICA2, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Best2, Length 508 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
1M63.7Low91.7Very high150 Ų15092.3 Ų92.374%0.73952%0.519SS*.  01040-57.4-169.4-154.800111R25 D302 E306M1-R25 VanDerWaalsContact CB-NH2 3.29Å; M1-R25 PolarHBondContact O-NH2 3.16Å; M1-D302 CarbonylContact C-O 3.26Å; M1-D302 VanDerWaalsContact C-O 3.26Å; M1-E306 WeakPolarHBondContact CA-OE1 3.47Å; M1-E306 WeakPolarHBondContact CA-OE2 3.37Å; M1-E306 HydrophobicContact CB-CG 4.36Å; M1-E306 HydrophobicContact CG-CG 4.36Å; M1-E306 WeakPolarHBondContact CG-OE2 3.31Å; M1-E306 PolarHBondContact N-OE1 2.61Å; M1-E306 PolarHBondContact N-OE2 3.27Å; M1-E306 VanDerWaalsContact N-OE2 3.07Å
2T91Very high91.9Very high47 Ų4794.4 Ų94.429%0.28856%0.557SS.*  trans-37.4141.2168.5-40.30000111.9T4 D302 D303 D304 E306T2-T4 PolarHBondContact O-N 2.94Å; T2-D302 VanDerWaalsContact CA-O 3.28Å; T2-D302 WeakPolarHBondContact CA-O 3.41Å; T2-D302 PolarHBondContact N-O 3.47Å; T2-D303 WeakPolarHBondContact CG2-OD1 3.3Å; T2-D304 PolarHBondContact OG1-O 3.38Å; T2-E306 PolarHBondContact N-OE1 3.13Å
3V94.9Very high91.9Very high27 Ų27101.5 Ų101.516%0.16457%0.568CS.*  trans-89.296.1-171.7-175.30000110.9R25 D302 D303V3-R25 HydrophobicContact CG2-CG 4.03Å; V3-D302 HydrophobicContact CG2-CB 4.21Å; V3-D303 WeakPolarHBondContact CB-OD1 3.32Å; V3-D303 PolarHBondContact N-OD1 3.2Å
4T96.4Very high92Very high118 Ų118109.6 Ų109.672%0.72460%0.595SS**  trans-86.9116.6176.1-54.50000111.7T2T2-T4 PolarHBondContact O-N 2.94Å
5Y96.2Very high91.9Very high110 Ų110103.6 Ų103.643%0.43157%0.568SS.*  trans-123.110.6175.862-88.4000114.2A7 R8 V9 L20Y5-A7 VanDerWaalsContact C-N 3.3Å; Y5-A7 PolarHBondContact O-N 2.81Å; Y5-R8 WeakPolarHBondContact O-CB 3.38Å; Y5-R8 PolarHBondContact O-N 2.84Å; Y5-V9 HydrophobicContact CD2-CG1 4.22Å; Y5-V9 HydrophobicContact CD2-CG2 4.09Å; Y5-V9 HydrophobicContact CE2-CG2 4.29Å; Y5-L20 HydrophobicContact CD2-CD1 4.25Å; Y5-L20 HydrophobicContact CD2-CD2 4.21Å; Y5-L20 HydrophobicContact CE2-CD1 4.19Å
6T96.3Very high92Very high102 Ų10298.2 Ų98.263%0.62654%0.544SS*.G310 helixtrans-49.4-44.7-176.9-48.90000113.5R8 V9 A10T6-R8 VanDerWaalsContact C-N 3.26Å; T6-R8 PolarHBondContact O-N 3.1Å; T6-V9 WeakPolarHBondContact O-CG2 3.5Å; T6-V9 PolarHBondContact O-N 2.89Å; T6-A10 PolarHBondContact O-N 2.84Å
7A95Very high92.1Very high93 Ų93101.6 Ų101.677%0.76955%0.552SS**G310 helixtrans-63.3-29.5-179.800000113.4Y5 V9Y5-A7 VanDerWaalsContact C-N 3.3Å; Y5-A7 PolarHBondContact O-N 2.81Å; A7-V9 VanDerWaalsContact C-N 3.32Å
8R93.7Very high92.3Very high154 Ų154100.4 Ų100.458%0.58155%0.553SS**G310 helixtrans-74.4-24.5-179.9-60.5-173.8-178.9-156.30.6112.5Y5 T6Y5-R8 WeakPolarHBondContact O-CB 3.38Å; Y5-R8 PolarHBondContact O-N 2.84Å; T6-R8 VanDerWaalsContact C-N 3.26Å; T6-R8 PolarHBondContact O-N 3.1Å
9V94.8Very high92.3Very high45 Ų45101.6 Ų101.627%0.27355%0.554SS.*G310 helixtrans-11215.1-177.7-63.30000113Y5 T6 A7 N11 F17 L20Y5-V9 HydrophobicContact CD2-CG1 4.22Å; Y5-V9 HydrophobicContact CD2-CG2 4.09Å; Y5-V9 HydrophobicContact CE2-CG2 4.29Å; T6-V9 WeakPolarHBondContact O-CG2 3.5Å; T6-V9 PolarHBondContact O-N 2.89Å; A7-V9 VanDerWaalsContact C-N 3.32Å; V9-N11 PolarHBondContact O-N 2.79Å; V9-F17 HydrophobicContact CB-CE1 4.34Å; V9-F17 HydrophobicContact CG1-CD1 4.01Å; V9-F17 HydrophobicContact CG1-CE1 3.83Å; V9-L20 HydrophobicContact CG1-CD1 3.92Å; V9-L20 HydrophobicContact CG1-CD2 4.32Å; V9-L20 HydrophobicContact CG1-CG 4.48Å
10A94.6Very high92.5Very high71 Ų7198.6 Ų98.659%0.58754%0.537SS*.SBendtrans-61-27.2-179.300000113.3T6T6-A10 PolarHBondContact O-N 2.84Å
11N92.8Very high92.7Very high98 Ų9899 Ų9952%0.52454%0.538SS..SBendtrans-126.7139178.2-66.5-63.7000110.7V9 R13V9-N11 PolarHBondContact O-N 2.79Å; N11-R13 HydrophobicContact CB-CG 4.11Å; N11-R13 PolarHBondContact O-N 2.9Å
12A94.2Very high94.2Very high118 Ų11899.2 Ų99.298%0.97554%0.541SS*.  trans-73.895.9171.400000110.2
13R91.9Very high94.5Very high186 Ų18698.9 Ų98.970%0.70254%0.538SS*.  trans-114.6160.1178.5-63-178.5-179.11781.1111.3N11 G15 G16N11-R13 HydrophobicContact CB-CG 4.11Å; N11-R13 PolarHBondContact O-N 2.9Å; R13-G15 PolarHBondContact O-N 3Å; R13-G16 PolarHBondContact O-N 3.16Å
14F92.6Very high94.6Very high216 Ų216104.8 Ų104.895%0.94756%0.557SS**THydrogen-bonded Turntrans-56.2129169.7179.5-102.8000110.1G16F14-G16 VanDerWaalsContact C-N 3.3Å; F14-G16 PolarHBondContact O-N 3.15Å
15G91Very high94.5Very high19 Ų19105.1 Ų105.120%0.19655%0.545CS..THydrogen-bonded Turntrans72.713.3-177.300000115.5R13 F17 S18 Q19R13-G15 PolarHBondContact O-N 3Å; G15-F17 PolarHBondContact O-N 3.21Å; G15-S18 PolarHBondContact O-N 3.5Å; G15-Q19 WeakPolarHBondContact O-CG 3.42Å; G15-Q19 PolarHBondContact O-N 3.34Å
16G92.5Very high94.4Very high17 Ų17101 Ų10118%0.17554%0.535CS..THydrogen-bonded Turntrans-53-56.7-178.600000113.4R13 F14R13-G16 PolarHBondContact O-N 3.16Å; F14-G16 VanDerWaalsContact C-N 3.3Å; F14-G16 PolarHBondContact O-N 3.15Å
17F94.6Very high94.4Very high157 Ų15796.7 Ų96.769%0.68951%0.51SS*.THydrogen-bonded Turntrans-78.5-25.3176.1-71-6.4000113.5V9 G15 Q19 L20V9-F17 HydrophobicContact CB-CE1 4.34Å; V9-F17 HydrophobicContact CG1-CD1 4.01Å; V9-F17 HydrophobicContact CG1-CE1 3.83Å; G15-F17 PolarHBondContact O-N 3.21Å; F17-Q19 PolarHBondContact O-N 3.32Å; F17-L20 HydrophobicContact CD1-CD1 3.79Å; F17-L20 HydrophobicContact CE1-CD1 4.39Å; F17-L20 HydrophobicContact CG-CD1 4.4Å; F17-L20 VanDerWaalsContact O-CB 3.3Å; F17-L20 WeakPolarHBondContact O-CB 3.49Å; F17-L20 PolarHBondContact O-N 3.37Å
18S94.9Very high94.5Very high80 Ų8095.1 Ų95.156%0.55949%0.488SS*.G310 helixtrans-60.4-35.5176.3-49.90000111.8G15 L20 L21G15-S18 PolarHBondContact O-N 3.5Å; S18-L20 PolarHBondContact O-N 3.2Å; S18-L21 WeakPolarHBondContact O-CB 3.19Å; S18-L21 PolarHBondContact O-N 2.9Å
19Q93.3Very high94.7Very high122 Ų12291.3 Ų91.357%0.5747%0.474SS*.G310 helixtrans-65.1-25.2173.9-70.91767.600113.1G15 F17 L21 L22G15-Q19 WeakPolarHBondContact O-CG 3.42Å; G15-Q19 PolarHBondContact O-N 3.34Å; F17-Q19 PolarHBondContact O-N 3.32Å; Q19-L21 VanDerWaalsContact C-N 3.29Å; Q19-L21 PolarHBondContact O-N 2.94Å; Q19-L22 PolarHBondContact O-N 2.83Å
20L95.8Very high94.8Very high42 Ų4293 Ų9322%0.2248%0.477CS..G310 helixtrans-70.3-27.8179.7-57.6-178.9000112.5Y5 V9 F17 S18 L22 L23Y5-L20 HydrophobicContact CD2-CD1 4.25Å; Y5-L20 HydrophobicContact CD2-CD2 4.21Å; Y5-L20 HydrophobicContact CE2-CD1 4.19Å; V9-L20 HydrophobicContact CG1-CD1 3.92Å; V9-L20 HydrophobicContact CG1-CD2 4.32Å; V9-L20 HydrophobicContact CG1-CG 4.48Å; F17-L20 HydrophobicContact CD1-CD1 3.79Å; F17-L20 HydrophobicContact CE1-CD1 4.39Å; F17-L20 HydrophobicContact CG-CD1 4.4Å; F17-L20 VanDerWaalsContact O-CB 3.3Å; F17-L20 WeakPolarHBondContact O-CB 3.49Å; F17-L20 PolarHBondContact O-N 3.37Å; S18-L20 PolarHBondContact O-N 3.2Å; L20-L22 PolarHBondContact O-N 3.35Å; L20-L22 VanDerWaalsContact O-N 3.12Å; L20-L23 HydrophobicContact CB-CD1 4.4Å; L20-L23 HydrophobicContact CD2-CD1 4.06Å; L20-L23 WeakPolarHBondContact O-CD1 3.25Å; L20-L23 PolarHBondContact O-N 2.73Å; L20-L23 VanDerWaalsContact O-N 3.15Å
21L96.1Very high94.8Very high107 Ų10791.6 Ų91.656%0.5646%0.46SS*.G310 helixtrans-66.6-9.4176.5-58.7177.6000113.3S18 Q19 Y29S18-L21 WeakPolarHBondContact O-CB 3.19Å; S18-L21 PolarHBondContact O-N 2.9Å; Q19-L21 VanDerWaalsContact C-N 3.29Å; Q19-L21 PolarHBondContact O-N 2.94Å; L21-Y29 WeakPolarHBondContact O-CE2 3.41Å; L21-Y29 PolarHBondContact O-OH 3.43Å; L21-Y29 VanDerWaalsContact O-OH 3.07Å
22L96.2Very high95Very high154 Ų15487 Ų8781%0.80644%0.435SS*.G310 helixtrans-96.1-4.3177.3-60176.3000113Q19 L20Q19-L22 PolarHBondContact O-N 2.83Å; L20-L22 PolarHBondContact O-N 3.35Å; L20-L22 VanDerWaalsContact O-N 3.12Å
23L96.4Very high95.2Very high40 Ų4086.8 Ų86.821%0.20941%0.409CS..  trans-81142176.7-74.396.5000111.3L20 S27L20-L23 HydrophobicContact CB-CD1 4.4Å; L20-L23 HydrophobicContact CD2-CD1 4.06Å; L20-L23 WeakPolarHBondContact O-CD1 3.25Å; L20-L23 PolarHBondContact O-N 2.73Å; L20-L23 VanDerWaalsContact O-N 3.15Å; L23-S27 WeakPolarHBondContact O-CB 3.18Å; L23-S27 PolarHBondContact O-OG 2.93Å
24W96.7Very high95.4Very high152 Ų15286.1 Ų86.158%0.57641%0.407SS*.  trans-99.8-42.4178.5179.2-106.6000113.8G26 S27 K30W24-G26 PolarHBondContact O-N 3.08Å; W24-S27 WeakPolarHBondContact O-CB 3.31Å; W24-S27 PolarHBondContact O-N 2.77Å; W24-S27 PolarHBondContact O-OG 2.89Å; W24-K30 HydrophobicContact CD2-CB 4.46Å; W24-K30 HydrophobicContact CH2-CB 4.45Å; W24-K30 HydrophobicContact CZ2-CB 4.09Å; W24-K30 HydrophobicContact CZ2-CG 4.22Å
25R95.6Very high95.7Very high125 Ų12579 Ų7947%0.47238%0.376SS..THydrogen-bonded Turntrans-69.8129.7-176.9-174-177174.2155.56.1110.7M1 V3 S27 D302M1-R25 VanDerWaalsContact CB-NH2 3.29Å; M1-R25 PolarHBondContact O-NH2 3.16Å; V3-R25 HydrophobicContact CG2-CG 4.03Å; R25-S27 PolarHBondContact O-N 2.91Å; R25-D302 HydrophobicContact CG-CB 4.21Å; R25-D302 WeakPolarHBondContact CG-OD2 3.45Å
26G93.6Very high95.9Very high22 Ų2279.7 Ų79.723%0.22738%0.376CS..THydrogen-bonded Turntrans58.720.7-173.200000113.9W24 D302W24-G26 PolarHBondContact O-N 3.08Å; G26-D302 PolarHBondContact N-OD2 2.69Å
27S96.8Very high96.2Very high12 Ų1284 Ų848%0.08439%0.394CS..  trans-88.4157.7-176.374.20000112.6L23 W24 R25 Y29 K30 L31L23-S27 WeakPolarHBondContact O-CB 3.18Å; L23-S27 PolarHBondContact O-OG 2.93Å; W24-S27 WeakPolarHBondContact O-CB 3.31Å; W24-S27 PolarHBondContact O-N 2.77Å; W24-S27 PolarHBondContact O-OG 2.89Å; R25-S27 PolarHBondContact O-N 2.91Å; S27-Y29 PolarHBondContact O-N 2.98Å; S27-Y29 PolarHBondContact OG-N 3.36Å; S27-K30 PolarHBondContact O-N 2.76Å; S27-K30 VanDerWaalsContact O-N 3.15Å; S27-K30 PolarHBondContact OG-N 2.98Å; S27-L31 PolarHBondContact O-N 2.64Å
28I96.8Very high96.3Very high60 Ų6080.1 Ų80.131%0.30839%0.385SS..Hα-helixtrans-53.9-34170.1-170.3167.9000112.7L31 L32 F282I28-L31 PolarHBondContact O-N 2.71Å; I28-L32 HydrophobicContact CD1-CD1 4.04Å; I28-L32 HydrophobicContact CG1-CD1 3.59Å; I28-L32 HydrophobicContact CG1-CG 4.21Å; I28-L32 WeakPolarHBondContact O-CB 3.39Å; I28-L32 PolarHBondContact O-N 3.09Å; I28-F282 HydrophobicContact CD1-CD1 4.4Å; I28-F282 WeakPolarHBondContact CD1-O 3.22Å; I28-F282 HydrophobicContact CG1-CD1 4.44Å
29Y96.7Very high96.5Very high74 Ų7477 Ų7729%0.2936%0.362SS..Hα-helixtrans-67.9-41.9-179.8-44.7-69.5000111.6L21 S27 L31 L32 W33 F282L21-Y29 WeakPolarHBondContact O-CE2 3.41Å; L21-Y29 PolarHBondContact O-OH 3.43Å; L21-Y29 VanDerWaalsContact O-OH 3.07Å; S27-Y29 PolarHBondContact O-N 2.98Å; S27-Y29 PolarHBondContact OG-N 3.36Å; Y29-L31 VanDerWaalsContact C-N 3.26Å; Y29-L31 PolarHBondContact O-N 3.18Å; Y29-L32 PolarHBondContact O-N 3.5Å; Y29-W33 WeakPolarHBondContact O-CB 3.33Å; Y29-W33 PolarHBondContact O-N 3.23Å; Y29-W33 VanDerWaalsContact O-N 3.12Å; Y29-F282 AromaticContact CD1-CE1 3.96Å; Y29-F282 HydrophobicContact CD1-CE1 3.96Å; Y29-F282 HydrophobicContact CD1-CZ 4.45Å; Y29-F282 HydrophobicContact CE1-CE1 4.34Å
30K96.9Very high96.7Very high80 Ų8073.7 Ų73.735%0.34835%0.348SS..Hα-helixtrans-65.4-31.8177.3-173.8176.8172.9-177.40111.7W24 S27 W33 D302W24-K30 HydrophobicContact CD2-CB 4.46Å; W24-K30 HydrophobicContact CH2-CB 4.45Å; W24-K30 HydrophobicContact CZ2-CB 4.09Å; W24-K30 HydrophobicContact CZ2-CG 4.22Å; S27-K30 PolarHBondContact O-N 2.76Å; S27-K30 VanDerWaalsContact O-N 3.15Å; S27-K30 PolarHBondContact OG-N 2.98Å; K30-W33 PolarHBondContact O-NE1 3.21Å; K30-D302 WeakPolarHBondContact CD-OD2 3.49Å; K30-D302 WeakPolarHBondContact CE-OD2 3.46Å; K30-D302 IonicContact NZ-OD1 3.22Å; K30-D302 PolarHBondContact NZ-OD1 3.21Å; K30-D302 IonicContact NZ-OD2 2.84Å; K30-D302 PolarHBondContact NZ-OD2 2.94Å
31L95.9Very high96.8Very high43 Ų4373.7 Ų73.723%0.22536%0.358CS..Hα-helixtrans-82.1-29.3179.6-62.7176.8000114.1S27 I28 Y29 K289S27-L31 PolarHBondContact O-N 2.64Å; I28-L31 PolarHBondContact O-N 2.71Å; Y29-L31 VanDerWaalsContact C-N 3.26Å; Y29-L31 PolarHBondContact O-N 3.18Å; L31-K289 HydrophobicContact CB-CB 4.34Å; L31-K289 HydrophobicContact CB-CD 4.43Å; L31-K289 HydrophobicContact CB-CG 4.23Å; L31-K289 HydrophobicContact CD1-CB 4.25Å; L31-K289 WeakPolarHBondContact O-CE 3.45Å
32L97.1Very high96.9Very high1 Ų173 Ų731%0.00536%0.355CS..Hα-helixtrans-107.7-12.4-171.7-73.4-179.2000115.9I28 Y29 R34 E35 L36 F281 F282 A285 K289I28-L32 HydrophobicContact CD1-CD1 4.04Å; I28-L32 HydrophobicContact CG1-CD1 3.59Å; I28-L32 HydrophobicContact CG1-CG 4.21Å; I28-L32 WeakPolarHBondContact O-CB 3.39Å; I28-L32 PolarHBondContact O-N 3.09Å; Y29-L32 PolarHBondContact O-N 3.5Å; L32-R34 PolarHBondContact O-N 3.12Å; L32-R34 VanDerWaalsContact O-N 3.11Å; L32-E35 PolarHBondContact O-N 2.91Å; L32-L36 VanDerWaalsContact O-CB 3.27Å; L32-L36 WeakPolarHBondContact O-CB 3.45Å; L32-L36 PolarHBondContact O-N 2.99Å; L32-F281 HydrophobicContact CD2-CE1 4.44Å; L32-F282 HydrophobicContact CD1-CD1 3.81Å; L32-F282 HydrophobicContact CD1-CE1 4.37Å; L32-A285 HydrophobicContact CD2-CB 3.78Å; L32-K289 HydrophobicContact CD2-CD 4.37Å; L32-K289 HydrophobicContact CD2-CG 3.45Å; L32-K289 VanDerWaalsContact CD2-CG 3.45Å; L32-K289 HydrophobicContact CG-CG 4.11Å
33W97.3Very high97Very high113 Ų11365.7 Ų65.743%0.42832%0.316SS..Hα-helixtrans-58.2-32.7-168.869.6-86.7000113.4Y29 K30 L37Y29-W33 WeakPolarHBondContact O-CB 3.33Å; Y29-W33 PolarHBondContact O-N 3.23Å; Y29-W33 VanDerWaalsContact O-N 3.12Å; K30-W33 PolarHBondContact O-NE1 3.21Å; W33-L37 HydrophobicContact CE3-CD1 3.73Å; W33-L37 HydrophobicContact CZ3-CD1 3.96Å; W33-L37 WeakPolarHBondContact O-CB 3.5Å; W33-L37 VanDerWaalsContact O-CG 3.24Å; W33-L37 WeakPolarHBondContact O-CG 3.37Å; W33-L37 PolarHBondContact O-N 3.35Å
34R97.6Very high97Very high173 Ų17367.6 Ų67.665%0.65333%0.325SS*.Hα-helixtrans-70.1-49.5178.8-66.1-176.9173.5173.4-1.3111.3L32 L36 L37 C38L32-R34 PolarHBondContact O-N 3.12Å; L32-R34 VanDerWaalsContact O-N 3.11Å; R34-L36 VanDerWaalsContact C-N 3.31Å; R34-L36 PolarHBondContact O-N 3.45Å; R34-L37 PolarHBondContact O-N 3.36Å; R34-C38 WeakPolarHBondContact O-CB 3.4Å; R34-C38 PolarHBondContact O-N 2.99Å
35E97.3Very high97.1Very high65 Ų6563.2 Ų63.230%0.30432%0.321SS..Hα-helixtrans-65.4-37.3179-65.386.4162.300111.1L32 C38 F39 F281 K289L32-E35 PolarHBondContact O-N 2.91Å; E35-C38 PolarHBondContact O-N 2.93Å; E35-F39 WeakPolarHBondContact O-CB 3.25Å; E35-F39 PolarHBondContact O-N 2.85Å; E35-F281 HydrophobicContact CB-CE1 4.37Å; E35-F281 HydrophobicContact CB-CZ 3.94Å; E35-K289 WeakPolarHBondContact OE1-CE 3.23Å; E35-K289 IonicContact OE1-NZ 3.8Å; E35-K289 PolarHBondContact OE1-NZ 2.93Å
36L96.6Very high97.2Very high35 Ų3559.8 Ų59.818%0.18331%0.312CS..Hα-helixtrans-63.8-46174.5-17868.2000111.7L32 R34 C38 F39 L40 L278 F281 F282L32-L36 VanDerWaalsContact O-CB 3.27Å; L32-L36 WeakPolarHBondContact O-CB 3.45Å; L32-L36 PolarHBondContact O-N 2.99Å; R34-L36 VanDerWaalsContact C-N 3.31Å; R34-L36 PolarHBondContact O-N 3.45Å; L36-C38 VanDerWaalsContact C-N 3.3Å; L36-C38 PolarHBondContact O-N 3.41Å; L36-F39 PolarHBondContact O-N 3.46Å; L36-L40 VanDerWaalsContact O-CB 3.27Å; L36-L40 WeakPolarHBondContact O-CB 3.47Å; L36-L40 PolarHBondContact O-N 2.89Å; L36-L278 HydrophobicContact CD1-CD2 3.98Å; L36-F281 HydrophobicContact CB-CE1 4.12Å; L36-F281 HydrophobicContact CD1-CD1 3.78Å; L36-F281 HydrophobicContact CD1-CE1 4.2Å; L36-F281 HydrophobicContact CD1-CG 4.48Å; L36-F282 HydrophobicContact CD1-CE2 4.35Å; L36-F282 HydrophobicContact CD2-CE1 4.33Å; L36-F282 HydrophobicContact CD2-CE2 3.91Å; L36-F282 HydrophobicContact CD2-CZ 3.5Å; L36-F282 VanDerWaalsContact CD2-CZ 3.5Å
37L97.6Very high97.3Very high107 Ų10758.8 Ų58.856%0.5630%0.301SS*.Hα-helixtrans-63.1-38.4175.7-75178.9000111.6W33 R34 G41W33-L37 HydrophobicContact CE3-CD1 3.73Å; W33-L37 HydrophobicContact CZ3-CD1 3.96Å; W33-L37 WeakPolarHBondContact O-CB 3.5Å; W33-L37 VanDerWaalsContact O-CG 3.24Å; W33-L37 WeakPolarHBondContact O-CG 3.37Å; W33-L37 PolarHBondContact O-N 3.35Å; R34-L37 PolarHBondContact O-N 3.36Å; L37-G41 PolarHBondContact O-N 3.33Å
38C98.2Very high97.3Very high75 Ų7560 Ų6051%0.50731%0.312SS..Hα-helixtrans-63.8-50.1174.9-174.30000111.4R34 E35 L36 L40 G41 L42R34-C38 WeakPolarHBondContact O-CB 3.4Å; R34-C38 PolarHBondContact O-N 2.99Å; E35-C38 PolarHBondContact O-N 2.93Å; L36-C38 VanDerWaalsContact C-N 3.3Å; L36-C38 PolarHBondContact O-N 3.41Å; C38-L40 PolarHBondContact O-N 2.87Å; C38-G41 PolarHBondContact O-N 3.3Å; C38-L42 WeakPolarHBondContact O-CG 3.49Å; C38-L42 PolarHBondContact O-N 2.88Å
39F97.9Very high97.3Very high14 Ų1458.5 Ų58.56%0.06131%0.309CS..Hα-helixtrans-59.8-46.5178.2-179.1-96.6000111.7E35 L36 L42 Y43 F248 L252 T277 L278 F281E35-F39 WeakPolarHBondContact O-CB 3.25Å; E35-F39 PolarHBondContact O-N 2.85Å; L36-F39 PolarHBondContact O-N 3.46Å; F39-L42 PolarHBondContact O-N 3.18Å; F39-Y43 VanDerWaalsContact O-CB 3.3Å; F39-Y43 WeakPolarHBondContact O-CB 3.4Å; F39-Y43 PolarHBondContact O-N 2.86Å; F39-F248 HydrophobicContact CE2-CB 4.3Å; F39-F248 HydrophobicContact CE2-CD1 4.31Å; F39-L252 HydrophobicContact CD2-CD1 4.35Å; F39-L252 HydrophobicContact CE2-CB 4.23Å; F39-L252 HydrophobicContact CE2-CD1 4.1Å; F39-T277 HydrophobicContact CE1-CG2 4.24Å; F39-T277 HydrophobicContact CZ-CG2 4.06Å; F39-L278 HydrophobicContact CD1-CD2 4.05Å; F39-L278 HydrophobicContact CE1-CD2 4.17Å; F39-F281 HydrophobicContact CB-CD2 4.31Å; F39-F281 HydrophobicContact CB-CE2 3.89Å; F39-F281 HydrophobicContact CB-CZ 4.19Å; F39-F281 HydrophobicContact CD1-CD2 4.15Å; F39-F281 HydrophobicContact CD2-CD2 4.09Å; F39-F281 HydrophobicContact CD2-CE2 4.05Å; F39-F281 HydrophobicContact CE2-CD2 4.49Å; F39-F281 AromaticContact CG-CD2 3.91Å; F39-F281 HydrophobicContact CG-CD2 3.91Å; F39-F281 AromaticContact CG-CE2 3.9Å; F39-F281 HydrophobicContact CG-CE2 3.9Å
40L97.3Very high97.4Very high53 Ų5355.4 Ų55.428%0.27730%0.297SS..Hα-helixtrans-64.3-42.5177.2-174.864.7000111.4L36 C38 Y43 M44 L278L36-L40 VanDerWaalsContact O-CB 3.27Å; L36-L40 WeakPolarHBondContact O-CB 3.47Å; L36-L40 PolarHBondContact O-N 2.89Å; C38-L40 PolarHBondContact O-N 2.87Å; L40-Y43 PolarHBondContact O-N 3.08Å; L40-M44 HydrophobicContact CD1-CG 4.12Å; L40-M44 HydrophobicContact CG-CG 4.29Å; L40-M44 WeakPolarHBondContact O-CB 3.47Å; L40-M44 VanDerWaalsContact O-CG 3.23Å; L40-M44 WeakPolarHBondContact O-CG 3.24Å; L40-M44 PolarHBondContact O-N 3.01Å; L40-L278 HydrophobicContact CD1-CD1 4.43Å; L40-L278 HydrophobicContact CD1-CD2 4.36Å
41G97.9Very high97.2Very high42 Ų4254.9 Ų54.943%0.43329%0.293SS..Hα-helixtrans-59.4-47.7176.800000112.4L37 C38 A45L37-G41 PolarHBondContact O-N 3.33Å; C38-G41 PolarHBondContact O-N 3.3Å; G41-A45 VanDerWaalsContact O-CB 3.28Å; G41-A45 WeakPolarHBondContact O-CB 3.43Å; G41-A45 PolarHBondContact O-N 3.5Å
42L98.2Very high97.2Very high94 Ų9460.9 Ų60.949%0.49232%0.317SS..Hα-helixtrans-64.1-42175.7-68.7175000111.9C38 F39 A45 L46 L252C38-L42 WeakPolarHBondContact O-CG 3.49Å; C38-L42 PolarHBondContact O-N 2.88Å; F39-L42 PolarHBondContact O-N 3.18Å; L42-A45 PolarHBondContact O-N 3.33Å; L42-L46 WeakPolarHBondContact O-CB 3.39Å; L42-L46 PolarHBondContact O-N 3.13Å; L42-L252 HydrophobicContact CB-CD1 3.94Å; L42-L252 HydrophobicContact CB-CD2 4.11Å; L42-L252 HydrophobicContact CD1-CD2 4.37Å
43Y98.1Very high97.2Very high0 Ų067.3 Ų67.30%035%0.351CS..Hα-helixtrans-61.5-49.3178.9-177.4-83.9000110.8F39 L40 L46 S47 L252 R255 Q256 F257 P274F39-Y43 VanDerWaalsContact O-CB 3.3Å; F39-Y43 WeakPolarHBondContact O-CB 3.4Å; F39-Y43 PolarHBondContact O-N 2.86Å; L40-Y43 PolarHBondContact O-N 3.08Å; Y43-L46 PolarHBondContact O-N 2.85Å; Y43-S47 WeakPolarHBondContact O-CB 3.28Å; Y43-S47 PolarHBondContact O-N 2.98Å; Y43-L252 HydrophobicContact CD2-CD1 4.4Å; Y43-R255 WeakPolarHBondContact CE2-O 3.5Å; Y43-R255 PolarHBondContact OH-O 3.22Å; Y43-Q256 HydrophobicContact CE2-CG 4.29Å; Y43-Q256 PolarHBondContact O-NE2 3.01Å; Y43-Q256 VanDerWaalsContact O-NE2 3.08Å; Y43-F257 WeakPolarHBondContact OH-CD2 3.15Å; Y43-P274 HydrophobicContact CD1-CG 3.92Å; Y43-P274 HydrophobicContact CD2-CG 4.12Å; Y43-P274 HydrophobicContact CE1-CB 4.29Å; Y43-P274 VanDerWaalsContact CE1-CD 3.46Å; Y43-P274 HydrophobicContact CE1-CG 3.58Å; Y43-P274 HydrophobicContact CE2-CB 4.17Å; Y43-P274 HydrophobicContact CE2-CG 3.77Å; Y43-P274 HydrophobicContact CG-CG 4.19Å; Y43-P274 VanDerWaalsContact CZ-CG 3.48Å
44M97.6Very high97.1Very high79 Ų7964.2 Ų64.239%0.38934%0.343SS..Hα-helixtrans-66.4-37.1179.7-66.5-53.8-65.800111.9L40 S47 A48L40-M44 HydrophobicContact CD1-CG 4.12Å; L40-M44 HydrophobicContact CG-CG 4.29Å; L40-M44 WeakPolarHBondContact O-CB 3.47Å; L40-M44 VanDerWaalsContact O-CG 3.23Å; L40-M44 WeakPolarHBondContact O-CG 3.24Å; L40-M44 PolarHBondContact O-N 3.01Å; M44-S47 WeakPolarHBondContact O-CB 3.49Å; M44-S47 PolarHBondContact O-N 3.35Å; M44-A48 WeakPolarHBondContact O-CB 3.27Å; M44-A48 PolarHBondContact O-N 3.33Å
45A97.8Very high97.1Very high61 Ų6158.8 Ų58.850%0.50434%0.335SS..Hα-helixtrans-62-45.1174.700000111.7G41 L42 S47 A48 A49G41-A45 VanDerWaalsContact O-CB 3.28Å; G41-A45 WeakPolarHBondContact O-CB 3.43Å; G41-A45 PolarHBondContact O-N 3.5Å; L42-A45 PolarHBondContact O-N 3.33Å; A45-S47 VanDerWaalsContact C-N 3.35Å; A45-A48 PolarHBondContact O-N 2.65Å; A45-A49 WeakPolarHBondContact O-CB 3.3Å; A45-A49 PolarHBondContact O-N 3.4Å
46L97.3Very high96.9Very high52 Ų5260.5 Ų60.527%0.27234%0.343SS..Hα-helixtrans-66.1-39.5176.9-166.665.9000111.5L42 Y43 A49 Y50 F62 I253 Q256L42-L46 WeakPolarHBondContact O-CB 3.39Å; L42-L46 PolarHBondContact O-N 3.13Å; Y43-L46 PolarHBondContact O-N 2.85Å; L46-A49 PolarHBondContact O-N 3.12Å; L46-Y50 PolarHBondContact O-N 3.46Å; L46-F62 HydrophobicContact CD1-CE2 3.94Å; L46-F62 HydrophobicContact CD1-CZ 4.3Å; L46-F62 HydrophobicContact CD2-CE2 4.06Å; L46-F62 HydrophobicContact CD2-CZ 3.94Å; L46-F62 HydrophobicContact CG-CE2 3.98Å; L46-F62 HydrophobicContact CG-CZ 3.84Å; L46-I253 HydrophobicContact CD2-CG1 4.09Å; L46-Q256 HydrophobicContact CD2-CG 4.05Å
47S96.8Very high96.8Very high1 Ų167 Ų671%0.00737%0.372CS..Hα-helixtrans-62.6-41.1174.8-123.80000112.9Y43 M44 A45 R51 Q256Y43-S47 WeakPolarHBondContact O-CB 3.28Å; Y43-S47 PolarHBondContact O-N 2.98Å; M44-S47 WeakPolarHBondContact O-CB 3.49Å; M44-S47 PolarHBondContact O-N 3.35Å; A45-S47 VanDerWaalsContact C-N 3.35Å; S47-R51 WeakPolarHBondContact O-CG 3.47Å; S47-R51 PolarHBondContact O-N 3.31Å; S47-R51 VanDerWaalsContact O-N 3.16Å; S47-R51 PolarHBondContact O-NH1 3.07Å; S47-R51 VanDerWaalsContact O-NH1 3.08Å; S47-R51 PolarHBondContact OG-NH1 3.21Å; S47-Q256 VanDerWaalsContact CB-OE1 3.31Å; S47-Q256 PolarHBondContact OG-OE1 3.38Å
48A97.1Very high96.7Very high38 Ų3867 Ų6731%0.31437%0.369SS..Hα-helixtrans-70.4-39.4176.300000111.4M44 A45 R51 F52M44-A48 WeakPolarHBondContact O-CB 3.27Å; M44-A48 PolarHBondContact O-N 3.33Å; A45-A48 PolarHBondContact O-N 2.65Å; A48-R51 PolarHBondContact O-N 3.2Å; A48-F52 HydrophobicContact CB-CD2 4.23Å; A48-F52 WeakPolarHBondContact O-CB 3.49Å; A48-F52 WeakPolarHBondContact O-CD2 3.47Å; A48-F52 PolarHBondContact O-N 2.97Å
49A97.2Very high96.5Very high28 Ų2865.1 Ų65.123%0.23135%0.352CS..Iπ-helixtrans-60.5-46.2174.300000111.7A45 L46 R51 L53 L54A45-A49 WeakPolarHBondContact O-CB 3.3Å; A45-A49 PolarHBondContact O-N 3.4Å; L46-A49 PolarHBondContact O-N 3.12Å; A49-R51 VanDerWaalsContact C-N 3.35Å; A49-R51 PolarHBondContact O-N 2.86Å; A49-L53 WeakPolarHBondContact O-CA 3.48Å; A49-L53 WeakPolarHBondContact O-CB 3.49Å; A49-L53 PolarHBondContact O-N 3.47Å; A49-L54 PolarHBondContact O-N 3.01Å
50Y96.8Very high96.4Very high10 Ų1067.4 Ų67.44%0.03936%0.361CS..Iπ-helixtrans-59.1-42.8175.6170.8-112000112.7L46 L54 K59 F62 E63 D259L46-Y50 PolarHBondContact O-N 3.46Å; Y50-L54 HydrophobicContact CD2-CD1 4.3Å; Y50-K59 HydrophobicContact CD2-CB 4.35Å; Y50-K59 HydrophobicContact CD2-CG 4Å; Y50-K59 HydrophobicContact CE2-CB 3.82Å; Y50-K59 HydrophobicContact CE2-CD 4.27Å; Y50-K59 HydrophobicContact CE2-CG 3.83Å; Y50-K59 WeakPolarHBondContact O-CE 3.37Å; Y50-F62 HydrophobicContact CD2-CB 4.41Å; Y50-F62 AromaticContact CD2-CD1 3.33Å; Y50-F62 HydrophobicContact CD2-CD1 3.33Å; Y50-F62 AromaticContact CD2-CE1 3.87Å; Y50-F62 HydrophobicContact CD2-CE1 3.87Å; Y50-F62 HydrophobicContact CD2-CG 4.12Å; Y50-F62 AromaticContact CE2-CD1 3.88Å; Y50-F62 HydrophobicContact CE2-CD1 3.88Å; Y50-F62 AromaticContact CG-CD1 3.89Å; Y50-F62 HydrophobicContact CG-CD1 3.89Å; Y50-F62 AromaticContact CG-CE1 3.92Å; Y50-F62 HydrophobicContact CG-CE1 3.92Å; Y50-E63 HydrophobicContact CE2-CG 4.1Å; Y50-E63 PolarHBondContact OH-OE1 3.12Å; Y50-D259 WeakPolarHBondContact OH-CB 3.47Å; Y50-D259 PolarHBondContact OH-N 3.31Å
51R94.7Very high96.4Very high69 Ų6972.7 Ų72.726%0.2638%0.378SS..Iπ-helixtrans-76.3-41.4-176.9-70.8-177-174.684.4-5113.9S47 A48 A49 D270S47-R51 WeakPolarHBondContact O-CG 3.47Å; S47-R51 PolarHBondContact O-N 3.31Å; S47-R51 VanDerWaalsContact O-N 3.16Å; S47-R51 PolarHBondContact O-NH1 3.07Å; S47-R51 VanDerWaalsContact O-NH1 3.08Å; S47-R51 PolarHBondContact OG-NH1 3.21Å; A48-R51 PolarHBondContact O-N 3.2Å; A49-R51 VanDerWaalsContact C-N 3.35Å; A49-R51 PolarHBondContact O-N 2.86Å; R51-D270 IonicContact CZ-OD2 3.03Å; R51-D270 IonicContact NE-OD2 2.56Å; R51-D270 VanDerWaalsContact NH2-CG 3.32Å; R51-D270 IonicContact NH2-OD1 2.78Å; R51-D270 PolarHBondContact NH2-OD1 3.04Å; R51-D270 VanDerWaalsContact NH2-OD1 3.1Å; R51-D270 IonicContact NH2-OD2 3.21Å; R51-D270 PolarHBondContact NH2-OD2 2.85Å
52F95.9Very high96.4Very high169 Ų16971.6 Ų71.674%0.74136%0.361SS*.Iπ-helixtrans-115.6-24.9-166.5-53.8-63.5000115.1A48A48-F52 HydrophobicContact CB-CD2 4.23Å; A48-F52 WeakPolarHBondContact O-CB 3.49Å; A48-F52 WeakPolarHBondContact O-CD2 3.47Å; A48-F52 PolarHBondContact O-N 2.97Å
53L96.4Very high96.3Very high136 Ų13667.1 Ų67.171%0.71234%0.338SS*.Iπ-helixtrans-103.4-37.6-174.9-78.782.4000113.1A49A49-L53 WeakPolarHBondContact O-CA 3.48Å; A49-L53 WeakPolarHBondContact O-CB 3.49Å; A49-L53 PolarHBondContact O-N 3.47Å
54L95.6Very high96.2Very high48 Ų4873.6 Ų73.625%0.25137%0.366SS..SBendtrans-73.9132.3-176.9-65.9-174.2000111.5A49 Y50 Q58 K59 F62A49-L54 PolarHBondContact O-N 3.01Å; Y50-L54 HydrophobicContact CD2-CD1 4.3Å; L54-Q58 HydrophobicContact CB-CB 4.17Å; L54-Q58 HydrophobicContact CD2-CB 4.08Å; L54-K59 HydrophobicContact CB-CG 3.82Å; L54-K59 VanDerWaalsContact O-CE 3.25Å; L54-K59 WeakPolarHBondContact O-CE 3.45Å; L54-F62 HydrophobicContact CD1-CB 3.93Å; L54-F62 HydrophobicContact CD1-CD2 4.36Å; L54-F62 HydrophobicContact CD1-CG 4.09Å
55A95.9Very high96.1Very high59 Ų5972.6 Ų72.649%0.48836%0.362SS..  trans-69.5161169.200000111.1E57 Q58 K59A55-E57 VanDerWaalsContact C-N 3.28Å; A55-E57 PolarHBondContact O-N 3.23Å; A55-Q58 WeakPolarHBondContact O-CB 3.23Å; A55-Q58 PolarHBondContact O-N 2.98Å; A55-K59 WeakPolarHBondContact O-CG 3.45Å; A55-K59 PolarHBondContact O-N 2.96Å
56E93.9Very high96Very high101 Ų10169.7 Ų69.747%0.47234%0.338SS..Hα-helixtrans-54.3-40.6-176.3-75-57.1130.600113.5Q58 K59 R60E56-Q58 PolarHBondContact O-N 3.31Å; E56-K59 PolarHBondContact O-N 3.47Å; E56-K59 IonicContact OE1-NZ 2.84Å; E56-K59 PolarHBondContact OE1-NZ 3.34Å; E56-R60 WeakPolarHBondContact O-CG 3.36Å; E56-R60 PolarHBondContact O-N 3.34Å; E56-R60 IonicContact OE2-CZ 2.75Å; E56-R60 IonicContact OE2-NE 2.72Å; E56-R60 IonicContact OE2-NH2 3.58Å; E56-R60 PolarHBondContact OE2-NH2 3.35Å
57E93.8Very high95.9Very high171 Ų17170 Ų7080%0.79934%0.338SS*.Hα-helixtrans-64.3-41.8176.6-170.8-179.8-178.600112.4A55 R60 Y61A55-E57 VanDerWaalsContact C-N 3.28Å; A55-E57 PolarHBondContact O-N 3.23Å; E57-R60 PolarHBondContact O-N 2.88Å; E57-Y61 PolarHBondContact O-N 3.34Å
58Q95.4Very high95.8Very high106 Ų10675.8 Ų75.850%0.49536%0.361SS..Hα-helixtrans-69.2-34.4178.2-64.7175.6-31.700111.8L54 A55 E56 R60 Y61 F62L54-Q58 HydrophobicContact CB-CB 4.17Å; L54-Q58 HydrophobicContact CD2-CB 4.08Å; A55-Q58 WeakPolarHBondContact O-CB 3.23Å; A55-Q58 PolarHBondContact O-N 2.98Å; E56-Q58 PolarHBondContact O-N 3.31Å; Q58-R60 VanDerWaalsContact C-N 3.34Å; Q58-R60 PolarHBondContact O-N 3.46Å; Q58-Y61 PolarHBondContact O-N 3.49Å; Q58-F62 WeakPolarHBondContact O-CB 3.36Å; Q58-F62 PolarHBondContact O-N 3.46Å
59K95.6Very high95.7Very high37 Ų3774.7 Ų74.716%0.16135%0.351CS..Hα-helixtrans-59.7-43.5173.1-71.6-177.7-174170.30111.5Y50 L54 A55 E56 Y61 F62 E63Y50-K59 HydrophobicContact CD2-CB 4.35Å; Y50-K59 HydrophobicContact CD2-CG 4Å; Y50-K59 HydrophobicContact CE2-CB 3.82Å; Y50-K59 HydrophobicContact CE2-CD 4.27Å; Y50-K59 HydrophobicContact CE2-CG 3.83Å; Y50-K59 WeakPolarHBondContact O-CE 3.37Å; L54-K59 HydrophobicContact CB-CG 3.82Å; L54-K59 VanDerWaalsContact O-CE 3.25Å; L54-K59 WeakPolarHBondContact O-CE 3.45Å; A55-K59 WeakPolarHBondContact O-CG 3.45Å; A55-K59 PolarHBondContact O-N 2.96Å; E56-K59 PolarHBondContact O-N 3.47Å; E56-K59 IonicContact OE1-NZ 2.84Å; E56-K59 PolarHBondContact OE1-NZ 3.34Å; K59-Y61 VanDerWaalsContact C-N 3.28Å; K59-Y61 PolarHBondContact O-N 3.26Å; K59-F62 WeakPolarHBondContact O-CB 3.45Å; K59-F62 PolarHBondContact O-N 3.15Å; K59-E63 WeakPolarHBondContact O-CB 3.25Å; K59-E63 VanDerWaalsContact O-CD 3.3Å; K59-E63 VanDerWaalsContact O-CG 3.25Å; K59-E63 WeakPolarHBondContact O-CG 3.49Å; K59-E63 PolarHBondContact O-N 3.12Å
60R96Very high95.6Very high62 Ų6275.3 Ų75.323%0.23435%0.351CS..Hα-helixtrans-61.2-36.7175.9-55-55140.6-150.77.3112.7E56 E57 Q58 E63 K64 Q262E56-R60 WeakPolarHBondContact O-CG 3.36Å; E56-R60 PolarHBondContact O-N 3.34Å; E56-R60 IonicContact OE2-CZ 2.75Å; E56-R60 IonicContact OE2-NE 2.72Å; E56-R60 IonicContact OE2-NH2 3.58Å; E56-R60 PolarHBondContact OE2-NH2 3.35Å; E57-R60 PolarHBondContact O-N 2.88Å; Q58-R60 VanDerWaalsContact C-N 3.34Å; Q58-R60 PolarHBondContact O-N 3.46Å; R60-E63 WeakPolarHBondContact CA-OE2 3.43Å; R60-E63 WeakPolarHBondContact CD-OE2 3.14Å; R60-E63 IonicContact CZ-OE1 3.59Å; R60-E63 IonicContact CZ-OE2 3.89Å; R60-E63 IonicContact NE-OE2 2.73Å; R60-E63 IonicContact NH1-OE1 2.74Å; R60-E63 PolarHBondContact NH1-OE1 3.2Å; R60-E63 IonicContact NH1-OE2 3.37Å; R60-E63 PolarHBondContact NH1-OE2 3.39Å; R60-K64 WeakPolarHBondContact O-CG 3.38Å; R60-K64 PolarHBondContact O-N 2.65Å; R60-Q262 VanDerWaalsContact NH1-OE1 3.15Å
61Y96.5Very high95.3Very high164 Ų16480.9 Ų80.964%0.64338%0.377SS*.Hα-helixtrans-70.7-43.2175.2-177.7-98.3000111.6E57 Q58 K59 E63 K64 L65E57-Y61 PolarHBondContact O-N 3.34Å; Q58-Y61 PolarHBondContact O-N 3.49Å; K59-Y61 VanDerWaalsContact C-N 3.28Å; K59-Y61 PolarHBondContact O-N 3.26Å; Y61-E63 PolarHBondContact O-N 3.11Å; Y61-K64 WeakPolarHBondContact O-CB 3.39Å; Y61-K64 PolarHBondContact O-N 3.45Å; Y61-L65 PolarHBondContact O-N 3.49Å
62F97.3Very high95Very high18 Ų1883 Ų838%0.07939%0.386CS..Hα-helixtrans-59.5-44.9176.4-176.6-99.8000111.8L46 Y50 L54 Q58 K59 K64 L65 V66 I253 Q256L46-F62 HydrophobicContact CD1-CE2 3.94Å; L46-F62 HydrophobicContact CD1-CZ 4.3Å; L46-F62 HydrophobicContact CD2-CE2 4.06Å; L46-F62 HydrophobicContact CD2-CZ 3.94Å; L46-F62 HydrophobicContact CG-CE2 3.98Å; L46-F62 HydrophobicContact CG-CZ 3.84Å; Y50-F62 HydrophobicContact CD2-CB 4.41Å; Y50-F62 AromaticContact CD2-CD1 3.33Å; Y50-F62 HydrophobicContact CD2-CD1 3.33Å; Y50-F62 AromaticContact CD2-CE1 3.87Å; Y50-F62 HydrophobicContact CD2-CE1 3.87Å; Y50-F62 HydrophobicContact CD2-CG 4.12Å; Y50-F62 AromaticContact CE2-CD1 3.88Å; Y50-F62 HydrophobicContact CE2-CD1 3.88Å; Y50-F62 AromaticContact CG-CD1 3.89Å; Y50-F62 HydrophobicContact CG-CD1 3.89Å; Y50-F62 AromaticContact CG-CE1 3.92Å; Y50-F62 HydrophobicContact CG-CE1 3.92Å; L54-F62 HydrophobicContact CD1-CB 3.93Å; L54-F62 HydrophobicContact CD1-CD2 4.36Å; L54-F62 HydrophobicContact CD1-CG 4.09Å; Q58-F62 WeakPolarHBondContact O-CB 3.36Å; Q58-F62 PolarHBondContact O-N 3.46Å; K59-F62 WeakPolarHBondContact O-CB 3.45Å; K59-F62 PolarHBondContact O-N 3.15Å; F62-K64 VanDerWaalsContact C-N 3.28Å; F62-K64 PolarHBondContact O-N 3.3Å; F62-L65 CarbonylContact O-C 3.56Å; F62-L65 WeakPolarHBondContact O-CA 3.34Å; F62-L65 WeakPolarHBondContact O-CB 3.42Å; F62-L65 PolarHBondContact O-N 3.4Å; F62-V66 HydrophobicContact CD1-CG2 3.85Å; F62-V66 HydrophobicContact CE1-CG2 3.5Å; F62-V66 HydrophobicContact CE2-CG2 4.5Å; F62-V66 HydrophobicContact CZ-CG2 3.87Å; F62-V66 WeakPolarHBondContact O-CG2 3.41Å; F62-V66 PolarHBondContact O-N 3.46Å; F62-I253 HydrophobicContact CE2-CG2 4.49Å; F62-Q256 HydrophobicContact CE1-CB 4.14Å; F62-Q256 HydrophobicContact CE1-CG 4.37Å; F62-Q256 HydrophobicContact CZ-CB 4.28Å; F62-Q256 HydrophobicContact CZ-CG 4.01Å
63E96.4Very high94.7Very high0 Ų075.1 Ų75.10%035%0.352CS..Hα-helixtrans-56.8-40.7175.9-73.3155-173.800112.2Y50 K59 R60 Y61 V66 M67 L258 Y264Y50-E63 HydrophobicContact CE2-CG 4.1Å; Y50-E63 PolarHBondContact OH-OE1 3.12Å; K59-E63 WeakPolarHBondContact O-CB 3.25Å; K59-E63 VanDerWaalsContact O-CD 3.3Å; K59-E63 VanDerWaalsContact O-CG 3.25Å; K59-E63 WeakPolarHBondContact O-CG 3.49Å; K59-E63 PolarHBondContact O-N 3.12Å; R60-E63 WeakPolarHBondContact CA-OE2 3.43Å; R60-E63 WeakPolarHBondContact CD-OE2 3.14Å; R60-E63 IonicContact CZ-OE1 3.59Å; R60-E63 IonicContact CZ-OE2 3.89Å; R60-E63 IonicContact NE-OE2 2.73Å; R60-E63 IonicContact NH1-OE1 2.74Å; R60-E63 PolarHBondContact NH1-OE1 3.2Å; R60-E63 IonicContact NH1-OE2 3.37Å; R60-E63 PolarHBondContact NH1-OE2 3.39Å; Y61-E63 PolarHBondContact O-N 3.11Å; E63-V66 PolarHBondContact O-N 3.02Å; E63-M67 WeakPolarHBondContact O-CE 3.47Å; E63-M67 WeakPolarHBondContact O-CG 3.46Å; E63-M67 PolarHBondContact O-N 2.82Å; E63-M67 VanDerWaalsContact O-N 3.12Å; E63-L258 HydrophobicContact CB-CD1 4.19Å; E63-L258 HydrophobicContact CB-CD2 4.38Å; E63-L258 HydrophobicContact CG-CB 4.49Å; E63-L258 HydrophobicContact CG-CD1 4.11Å; E63-L258 HydrophobicContact CG-CD2 3.77Å; E63-L258 HydrophobicContact CG-CG 4.34Å; E63-Y264 HydrophobicContact CB-CE2 3.91Å; E63-Y264 HydrophobicContact CG-CE2 3.92Å; E63-Y264 WeakPolarHBondContact OE2-CE2 3.42Å; E63-Y264 PolarHBondContact OE2-OH 2.83Å; E63-Y264 VanDerWaalsContact OE2-OH 3.09Å
64K95.4Very high93.7Very high136 Ų13672.9 Ų72.959%0.59135%0.348SS*.Hα-helixtrans-64.1-40.4173-68.6172.7-176.6176.80112.2R60 Y61 F62 M67 Y68R60-K64 WeakPolarHBondContact O-CG 3.38Å; R60-K64 PolarHBondContact O-N 2.65Å; Y61-K64 WeakPolarHBondContact O-CB 3.39Å; Y61-K64 PolarHBondContact O-N 3.45Å; F62-K64 VanDerWaalsContact C-N 3.28Å; F62-K64 PolarHBondContact O-N 3.3Å; K64-M67 HydrophobicContact CG-CE 4.33Å; K64-M67 PolarHBondContact O-N 3.42Å; K64-Y68 WeakPolarHBondContact O-CB 3.49Å; K64-Y68 PolarHBondContact O-N 3.18Å
65L96.5Very high92.9Very high59 Ų5976.6 Ų76.631%0.30937%0.367SS..Hα-helixtrans-65.7-39.7177.1-175.666.8000111.8Y61 F62 Y68 C69 I253Y61-L65 PolarHBondContact O-N 3.49Å; F62-L65 CarbonylContact O-C 3.56Å; F62-L65 WeakPolarHBondContact O-CA 3.34Å; F62-L65 WeakPolarHBondContact O-CB 3.42Å; F62-L65 PolarHBondContact O-N 3.4Å; L65-Y68 HydrophobicContact CD1-CD1 4.45Å; L65-Y68 WeakPolarHBondContact O-CB 3.48Å; L65-Y68 PolarHBondContact O-N 3.2Å; L65-C69 PolarHBondContact O-N 2.83Å; L65-C69 PolarHBondContact O-SG 3.37Å; L65-C69 VanDerWaalsContact O-SG 3.41Å; L65-I253 HydrophobicContact CD2-CG2 4.13Å; L65-I253 HydrophobicContact CG-CG2 4.01Å
66V96.5Very high92Very high0 Ų076.3 Ų76.30%036%0.357CS..Hα-helixtrans-58.6-52.5174.4172.70000110.3F62 E63 Y68 C69 D70 I253 G254 Q256 L258F62-V66 HydrophobicContact CD1-CG2 3.85Å; F62-V66 HydrophobicContact CE1-CG2 3.5Å; F62-V66 HydrophobicContact CE2-CG2 4.5Å; F62-V66 HydrophobicContact CZ-CG2 3.87Å; F62-V66 WeakPolarHBondContact O-CG2 3.41Å; F62-V66 PolarHBondContact O-N 3.46Å; E63-V66 PolarHBondContact O-N 3.02Å; V66-Y68 VanDerWaalsContact C-N 3.27Å; V66-Y68 PolarHBondContact O-N 3.28Å; V66-C69 PolarHBondContact O-N 3.14Å; V66-D70 PolarHBondContact O-N 3.49Å; V66-I253 HydrophobicContact CG2-CG2 4.22Å; V66-I253 WeakPolarHBondContact CG2-O 3.27Å; V66-G254 WeakPolarHBondContact CG1-O 3.38Å; V66-G254 VanDerWaalsContact O-CA 3.32Å; V66-G254 WeakPolarHBondContact O-CA 3.27Å; V66-Q256 HydrophobicContact CG2-CB 4.11Å; V66-L258 HydrophobicContact CB-CD1 4.47Å; V66-L258 HydrophobicContact CB-CD2 4.01Å; V66-L258 HydrophobicContact CG1-CD1 4.23Å; V66-L258 HydrophobicContact CG1-CD2 4Å; V66-L258 HydrophobicContact CG1-CG 4.24Å; V66-L258 HydrophobicContact CG2-CD2 3.83Å
67M94.4Very high91.6Very high57 Ų5776 Ų7628%0.28136%0.363SS..Hα-helixtrans-60.1-37.2177.8-68.3-175.8-73.200112.6E63 K64 Q71 Y264E63-M67 WeakPolarHBondContact O-CE 3.47Å; E63-M67 WeakPolarHBondContact O-CG 3.46Å; E63-M67 PolarHBondContact O-N 2.82Å; E63-M67 VanDerWaalsContact O-N 3.12Å; K64-M67 HydrophobicContact CG-CE 4.33Å; K64-M67 PolarHBondContact O-N 3.42Å; M67-Q71 WeakPolarHBondContact O-CG 3.36Å; M67-Q71 PolarHBondContact O-N 3.03Å; M67-Y264 HydrophobicContact CE-CD1 4.02Å; M67-Y264 HydrophobicContact CE-CE1 3.76Å; M67-Y264 HydrophobicContact SD-CD1 3.85Å; M67-Y264 HydrophobicContact SD-CE1 4.22Å
68Y94.6Very high91.4Very high124 Ų12468 Ų6849%0.48633%0.326SS..Hα-helixtrans-62.7-52.1174.5175.9-95.2000111.3K64 L65 V66 D70 Q71 Y72K64-Y68 WeakPolarHBondContact O-CB 3.49Å; K64-Y68 PolarHBondContact O-N 3.18Å; L65-Y68 HydrophobicContact CD1-CD1 4.45Å; L65-Y68 WeakPolarHBondContact O-CB 3.48Å; L65-Y68 PolarHBondContact O-N 3.2Å; V66-Y68 VanDerWaalsContact C-N 3.27Å; V66-Y68 PolarHBondContact O-N 3.28Å; Y68-D70 VanDerWaalsContact C-N 3.33Å; Y68-D70 PolarHBondContact O-N 3.41Å; Y68-Q71 PolarHBondContact O-N 2.99Å; Y68-Y72 HydrophobicContact CD1-CD2 4.32Å; Y68-Y72 HydrophobicContact CD1-CE2 4.46Å; Y68-Y72 HydrophobicContact CD2-CD2 4.37Å; Y68-Y72 AromaticContact CD2-CE2 3.9Å; Y68-Y72 HydrophobicContact CD2-CE2 3.9Å; Y68-Y72 AromaticContact CE1-CD2 3.97Å; Y68-Y72 HydrophobicContact CE1-CD2 3.97Å; Y68-Y72 AromaticContact CE1-CE2 3.9Å; Y68-Y72 HydrophobicContact CE1-CE2 3.9Å; Y68-Y72 HydrophobicContact CE2-CD2 4.05Å; Y68-Y72 AromaticContact CE2-CE2 3.28Å; Y68-Y72 HydrophobicContact CE2-CE2 3.28Å; Y68-Y72 HydrophobicContact CG-CD2 4.5Å; Y68-Y72 HydrophobicContact CG-CE2 4.45Å; Y68-Y72 AromaticContact CZ-CD2 3.81Å; Y68-Y72 AromaticContact CZ-CE2 3.25Å; Y68-Y72 AromaticContact CZ-CZ 3.94Å; Y68-Y72 WeakPolarHBondContact O-CD2 3.3Å; Y68-Y72 PolarHBondContact O-N 3.48Å; Y68-Y72 WeakPolarHBondContact OH-CE2 3.19Å
69C95.6Very high91.2Very high14 Ų1465.4 Ų65.410%0.09532%0.32CS..Hα-helixtrans-63.5-35.9-178.8-71.20000113.1L65 V66 Q71 Y72 A73 I253L65-C69 PolarHBondContact O-N 2.83Å; L65-C69 PolarHBondContact O-SG 3.37Å; L65-C69 VanDerWaalsContact O-SG 3.41Å; V66-C69 PolarHBondContact O-N 3.14Å; C69-Q71 VanDerWaalsContact C-N 3.35Å; C69-Q71 PolarHBondContact O-N 2.75Å; C69-Y72 PolarHBondContact O-N 3.46Å; C69-A73 PolarHBondContact O-N 2.96Å; C69-I253 HydrophobicContact CB-CB 4.16Å; C69-I253 HydrophobicContact CB-CG2 4.29Å
70D93.9Very high91.1Very high42 Ų4270.4 Ų70.423%0.22534%0.342CS..Hα-helixtrans-66.6-35.9179.6-167.640.2000112.9V66 Y68 Y72 A73 S74 R255V66-D70 PolarHBondContact O-N 3.49Å; Y68-D70 VanDerWaalsContact C-N 3.33Å; Y68-D70 PolarHBondContact O-N 3.41Å; D70-Y72 PolarHBondContact O-N 2.9Å; D70-A73 PolarHBondContact O-N 3.43Å; D70-S74 PolarHBondContact O-N 3.28Å; D70-S74 PolarHBondContact O-OG 3.03Å; D70-R255 IonicContact OD1-CZ 3.73Å; D70-R255 IonicContact OD1-NE 3.98Å; D70-R255 PolarHBondContact OD1-NE 2.92Å; D70-R255 IonicContact OD1-NH2 2.81Å; D70-R255 PolarHBondContact OD1-NH2 3.32Å
71Q91.4Very high90.9Very high127 Ų12768.8 Ų68.859%0.59334%0.339SS*.Hα-helixtrans-61-45.5173.3-71175.311.500111.5M67 Y68 C69 S74 L75M67-Q71 WeakPolarHBondContact O-CG 3.36Å; M67-Q71 PolarHBondContact O-N 3.03Å; Y68-Q71 PolarHBondContact O-N 2.99Å; C69-Q71 VanDerWaalsContact C-N 3.35Å; C69-Q71 PolarHBondContact O-N 2.75Å; Q71-S74 PolarHBondContact O-N 3.21Å; Q71-L75 WeakPolarHBondContact O-CG 3.06Å
72Y88.6Confident90.8Very high113 Ų11361 Ų6144%0.44331%0.308SS..Hα-helixtrans-70.8-34.5178.9-79.3-86.4000113.1Y68 C69 D70 S74 L75 I76Y68-Y72 HydrophobicContact CD1-CD2 4.32Å; Y68-Y72 HydrophobicContact CD1-CE2 4.46Å; Y68-Y72 HydrophobicContact CD2-CD2 4.37Å; Y68-Y72 AromaticContact CD2-CE2 3.9Å; Y68-Y72 HydrophobicContact CD2-CE2 3.9Å; Y68-Y72 AromaticContact CE1-CD2 3.97Å; Y68-Y72 HydrophobicContact CE1-CD2 3.97Å; Y68-Y72 AromaticContact CE1-CE2 3.9Å; Y68-Y72 HydrophobicContact CE1-CE2 3.9Å; Y68-Y72 HydrophobicContact CE2-CD2 4.05Å; Y68-Y72 AromaticContact CE2-CE2 3.28Å; Y68-Y72 HydrophobicContact CE2-CE2 3.28Å; Y68-Y72 HydrophobicContact CG-CD2 4.5Å; Y68-Y72 HydrophobicContact CG-CE2 4.45Å; Y68-Y72 AromaticContact CZ-CD2 3.81Å; Y68-Y72 AromaticContact CZ-CE2 3.25Å; Y68-Y72 AromaticContact CZ-CZ 3.94Å; Y68-Y72 WeakPolarHBondContact O-CD2 3.3Å; Y68-Y72 PolarHBondContact O-N 3.48Å; Y68-Y72 WeakPolarHBondContact OH-CE2 3.19Å; C69-Y72 PolarHBondContact O-N 3.46Å; D70-Y72 PolarHBondContact O-N 2.9Å; Y72-S74 PolarHBondContact O-N 3.15Å; Y72-L75 HydrophobicContact CD1-CD1 4.33Å; Y72-L75 PolarHBondContact O-N 3.32Å; Y72-I76 WeakPolarHBondContact O-CG1 3.29Å; Y72-I76 PolarHBondContact O-N 2.84Å
73A88Confident90.7Very high3 Ų360.9 Ų60.93%0.02531%0.312CS..Hα-helixtrans-57.8-33.5174.700000112C69 D70 L75 Y247 A250C69-A73 PolarHBondContact O-N 2.96Å; D70-A73 PolarHBondContact O-N 3.43Å; A73-L75 VanDerWaalsContact C-N 3.34Å; A73-Y247 HydrophobicContact CB-CE2 4.43Å; A73-Y247 WeakPolarHBondContact O-CE2 3.46Å; A73-A250 HydrophobicContact CB-CB 4.01Å
74S76.4Confident90.7Very high90 Ų9066.4 Ų66.463%0.62934%0.336SS*.Hα-helixtrans-77.3-17178.7-57.70000114D70 Q71 Y72D70-S74 PolarHBondContact O-N 3.28Å; D70-S74 PolarHBondContact O-OG 3.03Å; Q71-S74 PolarHBondContact O-N 3.21Å; Y72-S74 PolarHBondContact O-N 3.15Å
75L78.5Confident90.8Very high126 Ų12660.2 Ų60.266%0.6631%0.309SS*.Hα-helixtrans-91.5-18.8-176.8-70.4167000113.5Q71 Y72 A73 P77Q71-L75 WeakPolarHBondContact O-CG 3.06Å; Y72-L75 HydrophobicContact CD1-CD1 4.33Å; Y72-L75 PolarHBondContact O-N 3.32Å; A73-L75 VanDerWaalsContact C-N 3.34Å; L75-P77 VanDerWaalsContact O-CD 3.28Å; L75-P77 WeakPolarHBondContact O-CD 3.48Å
76I77.1Confident90.9Very high52 Ų5257.9 Ų57.927%0.26730%0.297SS..  trans-80.6115.7-174.4-57.1164.1000109.9Y72 V78 Y247Y72-I76 WeakPolarHBondContact O-CG1 3.29Å; Y72-I76 PolarHBondContact O-N 2.84Å; I76-V78 HydrophobicContact CB-CG2 4.16Å; I76-V78 HydrophobicContact CG2-CG2 3.45Å; I76-V78 VanDerWaalsContact CG2-CG2 3.45Å; I76-V78 PolarHBondContact O-N 3.33Å; I76-Y247 HydrophobicContact CD1-CD2 4.49Å
77P85.3Confident91Very high95 Ų9562.4 Ų62.462%0.61733%0.325SS*.  trans-82.458.5-178.535.6-36.1000111.9L75 S79 F80L75-P77 VanDerWaalsContact O-CD 3.28Å; L75-P77 WeakPolarHBondContact O-CD 3.48Å; P77-S79 VanDerWaalsContact C-N 3.26Å; P77-S79 PolarHBondContact O-N 2.99Å; P77-F80 PolarHBondContact O-N 3.36Å
78V90.1Very high91.2Very high2 Ų262.8 Ų62.81%0.01233%0.328CS..Hα-helixtrans-56.3-40.6-175.7-175.20000111.7I76 F80 V81 L82 V244 Y247 Y284I76-V78 HydrophobicContact CB-CG2 4.16Å; I76-V78 HydrophobicContact CG2-CG2 3.45Å; I76-V78 VanDerWaalsContact CG2-CG2 3.45Å; I76-V78 PolarHBondContact O-N 3.33Å; V78-F80 VanDerWaalsContact C-N 3.25Å; V78-F80 PolarHBondContact O-N 2.92Å; V78-V81 VanDerWaalsContact O-CG1 3.28Å; V78-V81 WeakPolarHBondContact O-CG1 3.46Å; V78-V81 PolarHBondContact O-N 3.13Å; V78-L82 HydrophobicContact CG1-CD1 4.1Å; V78-L82 WeakPolarHBondContact O-CB 3.24Å; V78-L82 PolarHBondContact O-N 3.31Å; V78-V244 HydrophobicContact CG1-CG2 3.77Å; V78-Y247 HydrophobicContact CG2-CD2 4.01Å; V78-Y247 HydrophobicContact CG2-CG 3.83Å; V78-Y284 HydrophobicContact CB-CD1 4.21Å; V78-Y284 HydrophobicContact CB-CE1 4.13Å; V78-Y284 HydrophobicContact CG1-CD1 3.82Å; V78-Y284 HydrophobicContact CG1-CE1 4.23Å; V78-Y284 HydrophobicContact CG1-CG 4.42Å
79S92Very high91.3Very high52 Ų5257 Ų5736%0.36431%0.305SS..Hα-helixtrans-57.7-36-178-48.40000113.5P77 G83 Y284P77-S79 VanDerWaalsContact C-N 3.26Å; P77-S79 PolarHBondContact O-N 2.99Å; S79-G83 PolarHBondContact O-N 2.96Å; S79-Y284 WeakPolarHBondContact OG-CE1 3.37Å; S79-Y284 PolarHBondContact OG-OH 2.95Å
80F92.2Very high91.5Very high142 Ų14259 Ų5962%0.62332%0.317SS*.Hα-helixtrans-70.1-57.4-178.3-179.9-87.1000110.4P77 V78 L82 G83 F84P77-F80 PolarHBondContact O-N 3.36Å; V78-F80 VanDerWaalsContact C-N 3.25Å; V78-F80 PolarHBondContact O-N 2.92Å; F80-L82 PolarHBondContact O-N 2.72Å; F80-G83 PolarHBondContact O-N 3.46Å; F80-F84 AromaticContact CD1-CD2 3.89Å; F80-F84 HydrophobicContact CD1-CD2 3.89Å; F80-F84 HydrophobicContact CD1-CE2 4.01Å; F80-F84 HydrophobicContact CD2-CD2 4.26Å; F80-F84 AromaticContact CD2-CE2 3.63Å; F80-F84 HydrophobicContact CD2-CE2 3.63Å; F80-F84 AromaticContact CE1-CD2 3.67Å; F80-F84 HydrophobicContact CE1-CD2 3.67Å; F80-F84 AromaticContact CE1-CE2 3.61Å; F80-F84 HydrophobicContact CE1-CE2 3.61Å; F80-F84 HydrophobicContact CE2-CD2 4.11Å; F80-F84 AromaticContact CE2-CE2 3.24Å; F80-F84 HydrophobicContact CE2-CE2 3.24Å; F80-F84 HydrophobicContact CE2-CZ 4.01Å; F80-F84 HydrophobicContact CG-CD2 4.18Å; F80-F84 HydrophobicContact CG-CE2 4.01Å; F80-F84 AromaticContact CZ-CD2 3.79Å; F80-F84 HydrophobicContact CZ-CD2 3.79Å; F80-F84 AromaticContact CZ-CE2 3.21Å; F80-F84 HydrophobicContact CZ-CE2 3.21Å; F80-F84 AromaticContact CZ-CZ 3.98Å; F80-F84 HydrophobicContact CZ-CZ 3.98Å; F80-F84 VanDerWaalsContact O-CD2 3.24Å; F80-F84 WeakPolarHBondContact O-CD2 3.42Å; F80-F84 PolarHBondContact O-N 2.95Å; F80-F84 VanDerWaalsContact O-N 3.16Å
81V91.3Very high91.7Very high29 Ų2962.4 Ų62.418%0.17633%0.332CS..Hα-helixtrans-60.8-38.3-177.462.90000111.4V78 Y85 V239 V240 A243V78-V81 VanDerWaalsContact O-CG1 3.28Å; V78-V81 WeakPolarHBondContact O-CG1 3.46Å; V78-V81 PolarHBondContact O-N 3.13Å; V81-Y85 VanDerWaalsContact O-CB 3.31Å; V81-Y85 WeakPolarHBondContact O-CB 3.32Å; V81-Y85 PolarHBondContact O-N 3.31Å; V81-Y85 VanDerWaalsContact O-N 3.14Å; V81-V239 HydrophobicContact CG2-CG1 4.45Å; V81-V240 HydrophobicContact CG2-CG2 3.79Å; V81-A243 HydrophobicContact CG1-CB 4.07Å
82L94.4Very high92Very high0 Ų058.2 Ų58.20%031%0.31CS..Hα-helixtrans-72.5-39-179.7-154.6150.9000111.5V78 F80 Y85 V86 V240 V244 W287 L288V78-L82 HydrophobicContact CG1-CD1 4.1Å; V78-L82 WeakPolarHBondContact O-CB 3.24Å; V78-L82 PolarHBondContact O-N 3.31Å; F80-L82 PolarHBondContact O-N 2.72Å; L82-Y85 PolarHBondContact O-N 3.3Å; L82-V86 HydrophobicContact CD2-CG2 3.59Å; L82-V86 HydrophobicContact CG-CG2 4.35Å; L82-V86 WeakPolarHBondContact O-CB 3.44Å; L82-V86 VanDerWaalsContact O-CG2 3.24Å; L82-V86 WeakPolarHBondContact O-CG2 3.44Å; L82-V86 PolarHBondContact O-N 3.38Å; L82-V240 HydrophobicContact CG-CG1 4.44Å; L82-V244 HydrophobicContact CD1-CG2 3.49Å; L82-V244 VanDerWaalsContact CD1-CG2 3.49Å; L82-W287 HydrophobicContact CD2-CB 3.5Å; L82-W287 HydrophobicContact CD2-CD2 3.12Å; L82-W287 HydrophobicContact CD2-CE3 3.57Å; L82-W287 HydrophobicContact CD2-CG 3.08Å; L82-W287 HydrophobicContact CD2-CZ2 4.34Å; L82-W287 HydrophobicContact CD2-CZ3 4.31Å; L82-W287 HydrophobicContact CG-CD2 4.48Å; L82-L288 HydrophobicContact CD1-CB 4.27Å
83G95.7Very high92.5Very high15 Ų1555.7 Ų55.716%0.15530%0.3CS..Hα-helixtrans-60.2-47.7175.500000113.6S79 F80 T87S79-G83 PolarHBondContact O-N 2.96Å; F80-G83 PolarHBondContact O-N 3.46Å; G83-T87 WeakPolarHBondContact O-CB 3.4Å; G83-T87 PolarHBondContact O-N 3.06Å; G83-T87 VanDerWaalsContact O-N 3.07Å; G83-T87 PolarHBondContact O-OG1 3.47Å
84F96.5Very high93Very high117 Ų11761.2 Ų61.251%0.51332%0.32SS..Hα-helixtrans-65.2-42.6176.9-77-74.5000112.3F80 L88F80-F84 AromaticContact CD1-CD2 3.89Å; F80-F84 HydrophobicContact CD1-CD2 3.89Å; F80-F84 HydrophobicContact CD1-CE2 4.01Å; F80-F84 HydrophobicContact CD2-CD2 4.26Å; F80-F84 AromaticContact CD2-CE2 3.63Å; F80-F84 HydrophobicContact CD2-CE2 3.63Å; F80-F84 AromaticContact CE1-CD2 3.67Å; F80-F84 HydrophobicContact CE1-CD2 3.67Å; F80-F84 AromaticContact CE1-CE2 3.61Å; F80-F84 HydrophobicContact CE1-CE2 3.61Å; F80-F84 HydrophobicContact CE2-CD2 4.11Å; F80-F84 AromaticContact CE2-CE2 3.24Å; F80-F84 HydrophobicContact CE2-CE2 3.24Å; F80-F84 HydrophobicContact CE2-CZ 4.01Å; F80-F84 HydrophobicContact CG-CD2 4.18Å; F80-F84 HydrophobicContact CG-CE2 4.01Å; F80-F84 AromaticContact CZ-CD2 3.79Å; F80-F84 HydrophobicContact CZ-CD2 3.79Å; F80-F84 AromaticContact CZ-CE2 3.21Å; F80-F84 HydrophobicContact CZ-CE2 3.21Å; F80-F84 AromaticContact CZ-CZ 3.98Å; F80-F84 HydrophobicContact CZ-CZ 3.98Å; F80-F84 VanDerWaalsContact O-CD2 3.24Å; F80-F84 WeakPolarHBondContact O-CD2 3.42Å; F80-F84 PolarHBondContact O-N 2.95Å; F80-F84 VanDerWaalsContact O-N 3.16Å; F84-L88 PolarHBondContact O-N 3.05Å; F84-L88 VanDerWaalsContact O-N 3.09Å
85Y97.9Very high94.1Very high6 Ų658.8 Ų58.82%0.02430%0.3CS..Hα-helixtrans-65-49.7-179.8179.8-106000112.2V81 L82 T87 L88 V89 I232 Y236 T237 V240 A291V81-Y85 VanDerWaalsContact O-CB 3.31Å; V81-Y85 WeakPolarHBondContact O-CB 3.32Å; V81-Y85 PolarHBondContact O-N 3.31Å; V81-Y85 VanDerWaalsContact O-N 3.14Å; L82-Y85 PolarHBondContact O-N 3.3Å; Y85-T87 VanDerWaalsContact C-N 3.3Å; Y85-T87 PolarHBondContact O-N 3.25Å; Y85-L88 WeakPolarHBondContact O-CB 3.45Å; Y85-L88 PolarHBondContact O-N 3.42Å; Y85-V89 HydrophobicContact CD1-CG2 4.36Å; Y85-V89 HydrophobicContact CE1-CG2 4.04Å; Y85-V89 HydrophobicContact CE2-CG2 4.45Å; Y85-V89 WeakPolarHBondContact O-CG2 3.4Å; Y85-V89 PolarHBondContact O-N 2.72Å; Y85-I232 HydrophobicContact CE2-CD1 4.37Å; Y85-I232 HydrophobicContact CE2-CG2 3.95Å; Y85-Y236 HydrophobicContact CD2-CD1 4.08Å; Y85-Y236 HydrophobicContact CD2-CD2 4.2Å; Y85-Y236 HydrophobicContact CD2-CE1 4.08Å; Y85-Y236 HydrophobicContact CD2-CE2 4.18Å; Y85-Y236 HydrophobicContact CD2-CG 4.14Å; Y85-Y236 PolarHBondContact N-OH 2.84Å; Y85-T237 WeakPolarHBondContact OH-CG2 3.28Å; Y85-T237 PolarHBondContact OH-OG1 3.39Å; Y85-V240 HydrophobicContact CD1-CB 4.31Å; Y85-V240 HydrophobicContact CD1-CG1 3.92Å; Y85-V240 HydrophobicContact CD1-CG2 4.05Å; Y85-V240 HydrophobicContact CD2-CG2 3.75Å; Y85-V240 HydrophobicContact CE1-CG1 4.47Å; Y85-V240 HydrophobicContact CE2-CG2 4.41Å; Y85-V240 HydrophobicContact CG-CB 4.29Å; Y85-V240 HydrophobicContact CG-CG1 4.22Å; Y85-V240 HydrophobicContact CG-CG2 3.53Å; Y85-A291 HydrophobicContact CD1-CB 3.86Å; Y85-A291 HydrophobicContact CE1-CB 3.5Å; Y85-A291 VanDerWaalsContact CE1-CB 3.5Å
86V98.1Very high95Very high9 Ų953.1 Ų53.16%0.05527%0.27CS..Hα-helixtrans-62.6-39.4178.9173.70000110.9L82 L88 V89 V90 W287 V290 A291L82-V86 HydrophobicContact CD2-CG2 3.59Å; L82-V86 HydrophobicContact CG-CG2 4.35Å; L82-V86 WeakPolarHBondContact O-CB 3.44Å; L82-V86 VanDerWaalsContact O-CG2 3.24Å; L82-V86 WeakPolarHBondContact O-CG2 3.44Å; L82-V86 PolarHBondContact O-N 3.38Å; V86-L88 VanDerWaalsContact C-N 3.33Å; V86-L88 PolarHBondContact O-N 3.06Å; V86-V89 PolarHBondContact O-N 2.83Å; V86-V90 HydrophobicContact CG1-CG2 4.14Å; V86-V90 WeakPolarHBondContact O-CG2 3.38Å; V86-V90 PolarHBondContact O-N 3.34Å; V86-W287 WeakPolarHBondContact CG2-O 3.27Å; V86-V290 HydrophobicContact CG1-CG1 4.08Å; V86-A291 HydrophobicContact CG2-CB 3.95Å
87T98.3Very high96Very high95 Ų9555.8 Ų55.858%0.58328%0.278SS*.Hα-helixtrans-60.7-42.6176-57.80000111.7G83 Y85 V90 H91G83-T87 WeakPolarHBondContact O-CB 3.4Å; G83-T87 PolarHBondContact O-N 3.06Å; G83-T87 VanDerWaalsContact O-N 3.07Å; G83-T87 PolarHBondContact O-OG1 3.47Å; Y85-T87 VanDerWaalsContact C-N 3.3Å; Y85-T87 PolarHBondContact O-N 3.25Å; T87-V90 PolarHBondContact O-N 3.27Å; T87-H91 WeakPolarHBondContact O-CB 3.23Å; T87-H91 PolarHBondContact O-N 2.72Å
88L98.3Very high96.6Very high66 Ų6655.5 Ų55.535%0.34627%0.271SS..Hα-helixtrans-61.5-43.8174.7174.864.4000111.7F84 Y85 V86 H91 R92 I232 Y236F84-L88 PolarHBondContact O-N 3.05Å; F84-L88 VanDerWaalsContact O-N 3.09Å; Y85-L88 WeakPolarHBondContact O-CB 3.45Å; Y85-L88 PolarHBondContact O-N 3.42Å; V86-L88 VanDerWaalsContact C-N 3.33Å; V86-L88 PolarHBondContact O-N 3.06Å; L88-H91 PolarHBondContact O-N 3.01Å; L88-R92 WeakPolarHBondContact O-CG 3.3Å; L88-R92 PolarHBondContact O-N 3.19Å; L88-I232 HydrophobicContact CD2-CD1 4.24Å; L88-I232 HydrophobicContact CD2-CG1 4.37Å; L88-I232 HydrophobicContact CD2-CG2 4.11Å; L88-I232 HydrophobicContact CG-CD1 4.24Å; L88-Y236 HydrophobicContact CD2-CD1 4.15Å; L88-Y236 HydrophobicContact CD2-CE1 3.88Å
89V98.6Very high97Very high1 Ų156.3 Ų56.31%0.00628%0.276CS..Hα-helixtrans-62.7-50178175.60000110.9Y85 V86 H91 R92 W93 I232 A291 L294Y85-V89 HydrophobicContact CD1-CG2 4.36Å; Y85-V89 HydrophobicContact CE1-CG2 4.04Å; Y85-V89 HydrophobicContact CE2-CG2 4.45Å; Y85-V89 WeakPolarHBondContact O-CG2 3.4Å; Y85-V89 PolarHBondContact O-N 2.72Å; V86-V89 PolarHBondContact O-N 2.83Å; V89-H91 VanDerWaalsContact C-N 3.29Å; V89-H91 PolarHBondContact O-N 2.69Å; V89-R92 PolarHBondContact O-N 2.84Å; V89-W93 WeakPolarHBondContact O-CB 3.45Å; V89-W93 PolarHBondContact O-N 3.38Å; V89-I232 HydrophobicContact CB-CD1 4.36Å; V89-I232 HydrophobicContact CG2-CD1 3.39Å; V89-A291 HydrophobicContact CB-CB 4.37Å; V89-A291 HydrophobicContact CG1-CB 4.42Å; V89-A291 HydrophobicContact CG2-CB 3.97Å; V89-L294 HydrophobicContact CG1-CB 3.72Å
90V98.4Very high97.2Very high58 Ų5854.1 Ų54.135%0.35226%0.26SS..Hα-helixtrans-60.3-39.8178.9172.30000111.3V86 T87 W93 W94 L294V86-V90 HydrophobicContact CG1-CG2 4.14Å; V86-V90 WeakPolarHBondContact O-CG2 3.38Å; V86-V90 PolarHBondContact O-N 3.34Å; T87-V90 PolarHBondContact O-N 3.27Å; V90-W93 WeakPolarHBondContact O-CB 3.46Å; V90-W93 PolarHBondContact O-N 2.88Å; V90-W94 PolarHBondContact O-N 3.02Å; V90-L294 HydrophobicContact CG2-CD1 3.91Å
91H98.5Very high97.4Very high113 Ų11347.5 Ų47.552%0.52323%0.231SC..Hα-helixtrans-62.8-45.3176.2-175.373.5000112T87 L88 V89 N95T87-H91 WeakPolarHBondContact O-CB 3.23Å; T87-H91 PolarHBondContact O-N 2.72Å; L88-H91 PolarHBondContact O-N 3.01Å; V89-H91 VanDerWaalsContact C-N 3.29Å; V89-H91 PolarHBondContact O-N 2.69Å; H91-N95 PolarHBondContact CD2-ND2 3.19Å; H91-N95 PolarHBondContact NE2-ND2 2.95Å; H91-N95 VanDerWaalsContact O-CG 3.31Å; H91-N95 PolarHBondContact O-N 3.37Å; H91-N95 VanDerWaalsContact O-N 3.1Å; H91-N95 PolarHBondContact O-ND2 2.97Å
92R98.5Very high97.7Very high39 Ų3949.4 Ų49.415%0.14724%0.24CC..Hα-helixtrans-64.8-42.5175.1-73.5176.656.9970.2112.1L88 V89 W94 N95 Q96 Y227 I230L88-R92 WeakPolarHBondContact O-CG 3.3Å; L88-R92 PolarHBondContact O-N 3.19Å; V89-R92 PolarHBondContact O-N 2.84Å; R92-W94 PolarHBondContact O-N 3.04Å; R92-N95 PolarHBondContact O-N 2.93Å; R92-Q96 WeakPolarHBondContact O-CB 3.17Å; R92-Q96 VanDerWaalsContact O-CG 3.28Å; R92-Q96 WeakPolarHBondContact O-CG 3.5Å; R92-Q96 PolarHBondContact O-N 2.95Å; R92-Q96 PolarHBondContact O-NE2 3.4Å; R92-Y227 HydrophobicContact CB-CE1 4.4Å; R92-Y227 HydrophobicContact CG-CE1 4.18Å; R92-Y227 PolarHBondContact NH2-O 3.48Å; R92-Y227 VanDerWaalsContact NH2-O 3.13Å; R92-I230 PolarHBondContact NH1-O 3.45Å; R92-I230 PolarHBondContact NH2-O 3.28Å
93W98.6Very high97.9Very high59 Ų5949.7 Ų49.722%0.22324%0.242CC..Hα-helixtrans-54.7-50.6176.5167.186.5000111.3V89 V90 Q96 Y97 L294 F305V89-W93 WeakPolarHBondContact O-CB 3.45Å; V89-W93 PolarHBondContact O-N 3.38Å; V90-W93 WeakPolarHBondContact O-CB 3.46Å; V90-W93 PolarHBondContact O-N 2.88Å; W93-Q96 WeakPolarHBondContact O-CB 3.33Å; W93-Q96 PolarHBondContact O-N 3.44Å; W93-Y97 PolarHBondContact O-N 3.42Å; W93-Y97 VanDerWaalsContact O-N 3.15Å; W93-L294 HydrophobicContact CB-CB 4.24Å; W93-L294 HydrophobicContact CD2-CD2 4.42Å; W93-L294 HydrophobicContact CG-CB 4.24Å; W93-L294 HydrophobicContact CG-CD2 4.15Å; W93-F305 AromaticContact CD1-CZ 3.74Å; W93-F305 HydrophobicContact CD2-CZ 4.42Å; W93-F305 AromaticContact CE2-CE1 3.71Å; W93-F305 AromaticContact CE2-CZ 3.86Å; W93-F305 HydrophobicContact CG-CZ 4.33Å; W93-F305 AromaticContact CZ2-CE1 3.93Å; W93-F305 HydrophobicContact CZ2-CE1 3.93Å; W93-F305 HydrophobicContact CZ2-CZ 4.46Å; W93-F305 AromaticContact NE1-CE1 3.35Å; W93-F305 AromaticContact NE1-CZ 3.39Å
94W98.5Very high98Very high120 Ų12051.2 Ų51.246%0.45525%0.247SC..Hα-helixtrans-66.1-42.5-179.8-174.3-115000112.4V90 R92 Q96 Y97 L98V90-W94 PolarHBondContact O-N 3.02Å; R92-W94 PolarHBondContact O-N 3.04Å; W94-Q96 VanDerWaalsContact C-N 3.3Å; W94-Q96 PolarHBondContact O-N 3.27Å; W94-Y97 HydrophobicContact CE3-CD1 4.13Å; W94-Y97 HydrophobicContact CH2-CD1 4Å; W94-Y97 HydrophobicContact CH2-CE1 4.17Å; W94-Y97 AromaticContact CZ3-CD1 3.71Å; W94-Y97 HydrophobicContact CZ3-CD1 3.71Å; W94-Y97 HydrophobicContact CZ3-CE1 4.14Å; W94-Y97 HydrophobicContact CZ3-CG 4.43Å; W94-Y97 WeakPolarHBondContact O-CB 3.33Å; W94-Y97 PolarHBondContact O-N 2.94Å; W94-Y97 VanDerWaalsContact O-N 3.16Å; W94-L98 HydrophobicContact CZ2-CD2 4.21Å; W94-L98 WeakPolarHBondContact O-CG 3.47Å; W94-L98 PolarHBondContact O-N 3.21Å
95N98.5Very high98.1Very high38 Ų3848.2 Ų48.220%0.20324%0.244CC..Hα-helixtrans-65.5-34.2177.9-69.7-16.9000112.3H91 R92 L98 C99 Y227H91-N95 PolarHBondContact CD2-ND2 3.19Å; H91-N95 PolarHBondContact NE2-ND2 2.95Å; H91-N95 VanDerWaalsContact O-CG 3.31Å; H91-N95 PolarHBondContact O-N 3.37Å; H91-N95 VanDerWaalsContact O-N 3.1Å; H91-N95 PolarHBondContact O-ND2 2.97Å; R92-N95 PolarHBondContact O-N 2.93Å; N95-L98 PolarHBondContact O-N 3.32Å; N95-C99 PolarHBondContact O-N 3.38Å; N95-C99 PolarHBondContact O-SG 3.21Å; N95-Y227 HydrophobicContact CB-CE2 4.2Å; N95-Y227 VanDerWaalsContact CB-OH 3.23Å; N95-Y227 WeakPolarHBondContact CB-OH 3.3Å
96Q98.4Very high98.1Very high8 Ų848.1 Ų48.14%0.03724%0.244CC..Hα-helixtrans-61.9-42.7172.2-76.6175.510000111.6R92 W93 W94 L98 C99 M100 Y227 F298 F305R92-Q96 WeakPolarHBondContact O-CB 3.17Å; R92-Q96 VanDerWaalsContact O-CG 3.28Å; R92-Q96 WeakPolarHBondContact O-CG 3.5Å; R92-Q96 PolarHBondContact O-N 2.95Å; R92-Q96 PolarHBondContact O-NE2 3.4Å; W93-Q96 WeakPolarHBondContact O-CB 3.33Å; W93-Q96 PolarHBondContact O-N 3.44Å; W94-Q96 VanDerWaalsContact C-N 3.3Å; W94-Q96 PolarHBondContact O-N 3.27Å; Q96-L98 PolarHBondContact O-N 3.49Å; Q96-C99 PolarHBondContact O-N 3.3Å; Q96-C99 VanDerWaalsContact O-N 3.16Å; Q96-M100 PolarHBondContact O-N 3.41Å; Q96-Y227 HydrophobicContact CG-CD1 4Å; Q96-Y227 HydrophobicContact CG-CD2 3.49Å; Q96-Y227 VanDerWaalsContact CG-CD2 3.49Å; Q96-Y227 HydrophobicContact CG-CE2 4.1Å; Q96-Y227 HydrophobicContact CG-CG 3.45Å; Q96-Y227 VanDerWaalsContact CG-CG 3.45Å; Q96-F298 HydrophobicContact CB-CE2 4.12Å; Q96-F298 HydrophobicContact CB-CZ 4.34Å; Q96-F298 HydrophobicContact CG-CE2 4.36Å; Q96-F305 HydrophobicContact CB-CE2 4.34Å
97Y98.2Very high98.1Very high107 Ų10748.6 Ų48.642%0.4225%0.246SC..Hα-helixtrans-59.1-44.5173.7-179.3-105.8000112.2W93 W94 C99 M100 F305W93-Y97 PolarHBondContact O-N 3.42Å; W93-Y97 VanDerWaalsContact O-N 3.15Å; W94-Y97 HydrophobicContact CE3-CD1 4.13Å; W94-Y97 HydrophobicContact CH2-CD1 4Å; W94-Y97 HydrophobicContact CH2-CE1 4.17Å; W94-Y97 AromaticContact CZ3-CD1 3.71Å; W94-Y97 HydrophobicContact CZ3-CD1 3.71Å; W94-Y97 HydrophobicContact CZ3-CE1 4.14Å; W94-Y97 HydrophobicContact CZ3-CG 4.43Å; W94-Y97 WeakPolarHBondContact O-CB 3.33Å; W94-Y97 PolarHBondContact O-N 2.94Å; W94-Y97 VanDerWaalsContact O-N 3.16Å; Y97-C99 PolarHBondContact O-N 3.49Å; Y97-M100 VanDerWaalsContact O-CB 3.23Å; Y97-M100 WeakPolarHBondContact O-CB 3.22Å; Y97-M100 PolarHBondContact O-N 3.33Å; Y97-M100 VanDerWaalsContact O-N 3.1Å; Y97-F305 AromaticContact CD2-CD1 3.99Å; Y97-F305 HydrophobicContact CD2-CD1 3.99Å; Y97-F305 AromaticContact CD2-CE1 3.83Å; Y97-F305 HydrophobicContact CD2-CE1 3.83Å; Y97-F305 HydrophobicContact CD2-CG 4.47Å; Y97-F305 HydrophobicContact CD2-CZ 4.18Å; Y97-F305 HydrophobicContact CG-CE1 4.26Å; Y97-F305 HydrophobicContact CG-CZ 4.31Å
98L98.1Very high98.1Very high90 Ų9048 Ų4847%0.47124%0.244SC..Hα-helixtrans-66.4-24.2177.9-64.1177.7000113.3W94 N95 Q96 M100W94-L98 HydrophobicContact CZ2-CD2 4.21Å; W94-L98 WeakPolarHBondContact O-CG 3.47Å; W94-L98 PolarHBondContact O-N 3.21Å; N95-L98 PolarHBondContact O-N 3.32Å; Q96-L98 PolarHBondContact O-N 3.49Å; L98-M100 VanDerWaalsContact C-N 3.25Å; L98-M100 PolarHBondContact O-N 3.27Å
99C97.5Very high98.1Very high18 Ų1845.2 Ų45.212%0.12223%0.231CC..THydrogen-bonded Turntrans-82.74.1175.1-65.20000113.4N95 Q96 Y97 K220 M223 L224N95-C99 PolarHBondContact O-N 3.38Å; N95-C99 PolarHBondContact O-SG 3.21Å; Q96-C99 PolarHBondContact O-N 3.3Å; Q96-C99 VanDerWaalsContact O-N 3.16Å; Y97-C99 PolarHBondContact O-N 3.49Å; C99-K220 WeakPolarHBondContact O-CB 3.37Å; C99-M223 HydrophobicContact CB-CB 4.02Å; C99-M223 WeakPolarHBondContact SG-CB 3.37Å; C99-L224 HydrophobicContact CB-CD2 3.86Å; C99-L224 HydrophobicContact CB-CG 4.21Å
100M97.6Very high98.1Very high6 Ų645.2 Ų45.23%0.0323%0.231CC..SBendtrans-62128.5176-15266.9172.500110.4Q96 Y97 L98 L102 L140 F298 T307 L310Q96-M100 PolarHBondContact O-N 3.41Å; Y97-M100 VanDerWaalsContact O-CB 3.23Å; Y97-M100 WeakPolarHBondContact O-CB 3.22Å; Y97-M100 PolarHBondContact O-N 3.33Å; Y97-M100 VanDerWaalsContact O-N 3.1Å; L98-M100 VanDerWaalsContact C-N 3.25Å; L98-M100 PolarHBondContact O-N 3.27Å; M100-L102 PolarHBondContact O-N 2.93Å; M100-L140 HydrophobicContact CE-CD1 4.01Å; M100-L140 HydrophobicContact CE-CD2 3.52Å; M100-L140 HydrophobicContact CE-CG 4.44Å; M100-L140 HydrophobicContact SD-CD2 3.87Å; M100-F298 HydrophobicContact CE-CE1 4.44Å; M100-F298 HydrophobicContact SD-CE1 3.99Å; M100-T307 HydrophobicContact CE-CG2 3.46Å; M100-T307 VanDerWaalsContact CE-CG2 3.46Å; M100-L310 HydrophobicContact CE-CB 4.48Å; M100-L310 HydrophobicContact CE-CD1 3.79Å; M100-L310 HydrophobicContact CG-CD1 3.83Å
101P95.4Very high98.1Very high3 Ų344.1 Ų44.12%0.01922%0.224CC..  trans-7694.1-176.529.5-35.2000110.9A136 I139 L140 F217 L224P101-A136 HydrophobicContact CB-CB 3.98Å; P101-A136 HydrophobicContact CG-CB 3.64Å; P101-I139 HydrophobicContact CG-CG2 4.43Å; P101-L140 HydrophobicContact CG-CD1 4.44Å; P101-F217 HydrophobicContact CB-CD2 4.31Å; P101-F217 HydrophobicContact CB-CE1 4.24Å; P101-F217 HydrophobicContact CB-CE2 3.68Å; P101-F217 HydrophobicContact CB-CZ 3.66Å; P101-L224 HydrophobicContact CG-CD1 4.45Å
102L97.6Very high98Very high69 Ų6941 Ų4136%0.36122%0.223SC..  trans-96.6132.1177.2-57.3-178.4000110.7M100 D104 F217 N314M100-L102 PolarHBondContact O-N 2.93Å; L102-D104 VanDerWaalsContact C-N 3.32Å; L102-D104 PolarHBondContact O-N 3.17Å; L102-F217 WeakPolarHBondContact O-CD2 3.43Å; L102-N314 WeakPolarHBondContact CD2-ND2 3.42Å
103P97.7Very high98Very high7 Ų739.9 Ų39.95%0.04522%0.22CC..  trans-82.1-5-174.935-38.2000114.1A105 L106 M107 M129 N314P103-A105 PolarHBondContact O-N 3.2Å; P103-L106 CarbonylContact O-C 3.07Å; P103-L106 WeakPolarHBondContact O-CA 3.15Å; P103-L106 PolarHBondContact O-N 3.34Å; P103-M107 PolarHBondContact O-N 3.19Å; P103-M129 HydrophobicContact CB-CE 3.57Å; P103-N314 HydrophobicContact CG-CB 3.74Å
104D98.3Very high98Very high46 Ų4637 Ų3725%0.24621%0.21CC..Hα-helixtrans-59.8-40-164.3-60.6-121000114.3L102 M107 C108 R313L102-D104 VanDerWaalsContact C-N 3.32Å; L102-D104 PolarHBondContact O-N 3.17Å; D104-M107 HydrophobicContact CB-CE 3.98Å; D104-M107 VanDerWaalsContact O-CG 3.27Å; D104-M107 WeakPolarHBondContact O-CG 3.47Å; D104-C108 PolarHBondContact O-N 3.05Å; D104-C108 PolarHBondContact O-SG 3.19Å; D104-R313 VanDerWaalsContact CG-NH1 3.3Å; D104-R313 IonicContact OD1-CZ 2.91Å; D104-R313 IonicContact OD1-NH1 3.29Å; D104-R313 PolarHBondContact OD1-NH1 3.06Å; D104-R313 IonicContact OD1-NH2 3.31Å; D104-R313 PolarHBondContact OD1-NH2 3.05Å; D104-R313 IonicContact OD2-CZ 3.87Å; D104-R313 IonicContact OD2-NH1 2.61Å; D104-R313 PolarHBondContact OD2-NH1 3.34Å; D104-R313 IonicContact OD2-NH2 3.48Å
105A98.3Very high98Very high55 Ų5533.3 Ų33.346%0.45520%0.197SC..Hα-helixtrans-68.1-42.2174.900000111.4P103 C108 A109 E213P103-A105 PolarHBondContact O-N 3.2Å; A105-C108 PolarHBondContact O-N 3.29Å; A105-A109 PolarHBondContact O-N 2.99Å; A105-A109 VanDerWaalsContact O-N 3.15Å; A105-E213 VanDerWaalsContact CB-OE2 3.3Å; A105-E213 WeakPolarHBondContact CB-OE2 3.28Å
106L98.1Very high97.9Very high3 Ų332.1 Ų32.12%0.01619%0.194CC..Hα-helixtrans-69.5-38-178.1-166.165.4000112.3P103 A109 V110 M129 A132 F188 E213 L214P103-L106 CarbonylContact O-C 3.07Å; P103-L106 WeakPolarHBondContact O-CA 3.15Å; P103-L106 PolarHBondContact O-N 3.34Å; L106-A109 PolarHBondContact O-N 3.16Å; L106-V110 VanDerWaalsContact O-CG2 3.31Å; L106-V110 WeakPolarHBondContact O-CG2 3.43Å; L106-V110 PolarHBondContact O-N 3.07Å; L106-M129 HydrophobicContact CB-CE 4.42Å; L106-M129 HydrophobicContact CG-SD 4.37Å; L106-A132 HydrophobicContact CD2-CB 3.59Å; L106-F188 HydrophobicContact CD1-CE1 4.49Å; L106-F188 HydrophobicContact CD1-CE2 4.46Å; L106-F188 HydrophobicContact CD1-CZ 3.86Å; L106-F188 HydrophobicContact CD2-CE2 3.73Å; L106-F188 HydrophobicContact CD2-CZ 3.98Å; L106-F188 HydrophobicContact CG-CE2 4.23Å; L106-F188 HydrophobicContact CG-CZ 4.07Å; L106-E213 HydrophobicContact CD1-CB 3.68Å; L106-L214 HydrophobicContact CD1-CB 4.32Å; L106-L214 HydrophobicContact CD2-CD1 4.29Å
107M98.3Very high97.8Very high20 Ų2040.7 Ų40.710%0.09923%0.226CC..Hα-helixtrans-65.8-39178.373.6-172.4-173.900111.6P103 D104 V110 V111 M129 V317 A321 V322P103-M107 PolarHBondContact O-N 3.19Å; D104-M107 HydrophobicContact CB-CE 3.98Å; D104-M107 VanDerWaalsContact O-CG 3.27Å; D104-M107 WeakPolarHBondContact O-CG 3.47Å; M107-V110 PolarHBondContact O-N 3.1Å; M107-V111 WeakPolarHBondContact O-CG1 3.35Å; M107-V111 PolarHBondContact O-N 3.47Å; M107-M129 HydrophobicContact CB-CE 3.79Å; M107-M129 HydrophobicContact CB-SD 4.03Å; M107-V317 HydrophobicContact CE-CG1 3.96Å; M107-V317 HydrophobicContact SD-CG1 4Å; M107-A321 HydrophobicContact CE-CB 4.48Å; M107-A321 HydrophobicContact CG-CB 4.27Å; M107-A321 HydrophobicContact SD-CB 3.9Å; M107-V322 HydrophobicContact CB-CG1 3.95Å
108C98.6Very high97.7Very high81 Ų8139 Ų3955%0.54722%0.224SC..Hα-helixtrans-62.6-42.9173.6-69.10000111.4D104 A105 V111 G112D104-C108 PolarHBondContact O-N 3.05Å; D104-C108 PolarHBondContact O-SG 3.19Å; A105-C108 PolarHBondContact O-N 3.29Å; C108-V111 WeakPolarHBondContact O-CG1 3.37Å; C108-G112 PolarHBondContact O-N 3.37Å
109A98.3Very high97.7Very high9 Ų941 Ų417%0.07424%0.236CC..Hα-helixtrans-64.1-43.8175.100000111.7A105 L106 T113 L209 L210 E213A105-A109 PolarHBondContact O-N 2.99Å; A105-A109 VanDerWaalsContact O-N 3.15Å; L106-A109 PolarHBondContact O-N 3.16Å; A109-T113 WeakPolarHBondContact O-CB 3.43Å; A109-T113 VanDerWaalsContact O-CG2 3.31Å; A109-T113 WeakPolarHBondContact O-CG2 3.16Å; A109-T113 PolarHBondContact O-N 3.27Å; A109-T113 VanDerWaalsContact O-N 3.13Å; A109-T113 PolarHBondContact O-OG1 2.84Å; A109-L209 HydrophobicContact CB-CG 4.44Å; A109-L210 HydrophobicContact CB-CD2 3.83Å; A109-E213 HydrophobicContact CB-CG 4.35Å
110V98.6Very high97.7Very high0 Ų045.7 Ų45.70%025%0.251CS..Hα-helixtrans-64.2-48.8179.9169.20000111.9L106 M107 G112 T113 V114 R125 L128 M129 F188 L210 V322L106-V110 VanDerWaalsContact O-CG2 3.31Å; L106-V110 WeakPolarHBondContact O-CG2 3.43Å; L106-V110 PolarHBondContact O-N 3.07Å; M107-V110 PolarHBondContact O-N 3.1Å; V110-G112 VanDerWaalsContact C-N 3.29Å; V110-G112 PolarHBondContact O-N 3.14Å; V110-T113 PolarHBondContact O-N 2.63Å; V110-V114 HydrophobicContact CG1-CB 4.49Å; V110-V114 HydrophobicContact CG1-CG2 4.24Å; V110-V114 WeakPolarHBondContact O-CB 3.41Å; V110-V114 PolarHBondContact O-N 2.9Å; V110-R125 HydrophobicContact CG1-CB 4.09Å; V110-R125 HydrophobicContact CG1-CG 3.96Å; V110-L128 HydrophobicContact CG1-CD1 4.38Å; V110-L128 HydrophobicContact CG2-CB 4.37Å; V110-L128 HydrophobicContact CG2-CD1 4.46Å; V110-M129 HydrophobicContact CB-SD 4.12Å; V110-M129 HydrophobicContact CG1-CG 4.47Å; V110-M129 HydrophobicContact CG2-SD 3.8Å; V110-F188 HydrophobicContact CG2-CZ 4.06Å; V110-L210 HydrophobicContact CB-CD2 4.37Å; V110-L210 HydrophobicContact CG2-CD2 3.6Å; V110-V322 HydrophobicContact CB-CG1 4.2Å; V110-V322 HydrophobicContact CG1-CB 4.28Å; V110-V322 HydrophobicContact CG1-CG1 3.97Å
111V98.3Very high97.8Very high35 Ų3545.4 Ų45.421%0.21225%0.249CC..Hα-helixtrans-63.9-36-178.672.30000111.8M107 C108 A321 V322 Y326M107-V111 WeakPolarHBondContact O-CG1 3.35Å; M107-V111 PolarHBondContact O-N 3.47Å; C108-V111 WeakPolarHBondContact O-CG1 3.37Å; V111-A321 WeakPolarHBondContact CG2-O 3.24Å; V111-V322 HydrophobicContact CB-CG1 4.4Å; V111-Y326 HydrophobicContact CG2-CD2 3.88Å; V111-Y326 HydrophobicContact CG2-CG 4.48Å
112G97.2Very high97.9Very high49 Ų4950.4 Ų50.451%0.50527%0.268SS..Hα-helixtrans-77.8-22.5-179.800000115.2C108 V110 H115C108-G112 PolarHBondContact O-N 3.37Å; V110-G112 VanDerWaalsContact C-N 3.29Å; V110-G112 PolarHBondContact O-N 3.14Å; G112-H115 PolarHBondContact O-CE1 2.68Å
113T98.1Very high97.9Very high14 Ų1452.3 Ų52.39%0.08628%0.278CS..Hα-helixtrans-116.1-21.6-170.660.90000115.3A109 V110 H115 A206 L210A109-T113 WeakPolarHBondContact O-CB 3.43Å; A109-T113 VanDerWaalsContact O-CG2 3.31Å; A109-T113 WeakPolarHBondContact O-CG2 3.16Å; A109-T113 PolarHBondContact O-N 3.27Å; A109-T113 VanDerWaalsContact O-N 3.13Å; A109-T113 PolarHBondContact O-OG1 2.84Å; V110-T113 PolarHBondContact O-N 2.63Å; T113-H115 PolarHBondContact O-CD2 3.04Å; T113-A206 HydrophobicContact CG2-CB 3.66Å; T113-L210 WeakPolarHBondContact OG1-CD1 3.24Å
114V98.4Very high98Very high0 Ų052.5 Ų52.50%028%0.278CS..SBendtrans-104101.8-176.4-176.70000110.1V110 R125 L128 I201 L210V110-V114 HydrophobicContact CG1-CB 4.49Å; V110-V114 HydrophobicContact CG1-CG2 4.24Å; V110-V114 WeakPolarHBondContact O-CB 3.41Å; V110-V114 PolarHBondContact O-N 2.9Å; V114-R125 HydrophobicContact CB-CG 3.83Å; V114-R125 HydrophobicContact CG1-CG 3.75Å; V114-R125 WeakPolarHBondContact O-CD 3.49Å; V114-R125 PolarHBondContact O-NH1 2.85Å; V114-L128 HydrophobicContact CG1-CD1 4.49Å; V114-L128 HydrophobicContact CG2-CD1 3.82Å; V114-I201 HydrophobicContact CG2-CD1 4.31Å; V114-I201 HydrophobicContact CG2-CG1 4.02Å; V114-L210 HydrophobicContact CG2-CD1 4.06Å
115H98.1Very high98Very high41 Ų4150.6 Ų50.619%0.1927%0.267CS..  trans-95.2155.7-168.9-53.9-78000115G112 T113 R200 R202 Y326G112-H115 PolarHBondContact O-CE1 2.68Å; T113-H115 PolarHBondContact O-CD2 3.04Å; H115-R200 PolarHBondContact CD2-O 3.36Å; H115-R200 PolarHBondContact N-O 3.06Å; H115-R200 VanDerWaalsContact O-CD 3.32Å; H115-R200 WeakPolarHBondContact O-CD 3.35Å; H115-R202 PolarHBondContact CD2-NE 2.72Å; H115-Y326 WeakPolarHBondContact CA-OH 3.47Å; H115-Y326 WeakPolarHBondContact CB-OH 3.22Å
116G96.6Very high98Very high14 Ų1452.1 Ų52.114%0.14426%0.261CS..  trans132.2123.3173.500000112.3D118 R125 Y326G116-D118 WeakPolarHBondContact CA-OD1 3.48Å; G116-R125 PolarHBondContact O-NH1 3.34Å; G116-R125 PolarHBondContact O-NH2 3.49Å; G116-Y326 PolarHBondContact N-OH 2.83Å
117R96.1Very high98.1Very high188 Ų18852.9 Ų52.971%0.70927%0.266SS*.SBendtrans-87.2-10.3174.4-66.9-174.5178.7-156.3-2.8113Y326 D327R117-Y326 HydrophobicContact CG-CD1 4.5Å; R117-Y326 HydrophobicContact CG-CE1 3.96Å; R117-D327 IonicContact CZ-OD2 3.93Å; R117-D327 VanDerWaalsContact CZ-OD2 3.23Å; R117-D327 IonicContact NE-OD2 3.28Å; R117-D327 PolarHBondContact NE-OD2 3.36Å; R117-D327 VanDerWaalsContact NH2-CG 3.29Å; R117-D327 PolarHBondContact NH2-O 3.16Å; R117-D327 IonicContact NH2-OD1 3.93Å; R117-D327 IonicContact NH2-OD2 2.84Å; R117-D327 PolarHBondContact NH2-OD2 3.12Å
118D97.6Very high98.1Very high70 Ų7051.9 Ų51.937%0.37426%0.261SS..SBendtrans-73161.7173.862.7-45.9000111.8G116 R120 G121 R122 R200G116-D118 WeakPolarHBondContact CA-OD1 3.48Å; D118-R120 PolarHBondContact O-N 3.3Å; D118-R120 VanDerWaalsContact O-N 3.07Å; D118-R120 WeakPolarHBondContact OD2-CB 3.22Å; D118-G121 PolarHBondContact O-N 3.26Å; D118-R122 PolarHBondContact O-N 3.45Å; D118-R122 VanDerWaalsContact O-N 3.08Å; D118-R200 IonicContact OD1-CZ 2.8Å; D118-R200 IonicContact OD1-NH1 3.42Å; D118-R200 PolarHBondContact OD1-NH1 3.45Å; D118-R200 IonicContact OD1-NH2 3.21Å; D118-R200 IonicContact OD2-CZ 2.73Å; D118-R200 IonicContact OD2-NH1 3.88Å; D118-R200 PolarHBondContact OD2-NH1 3.21Å; D118-R200 IonicContact OD2-NH2 3.01Å; D118-R200 PolarHBondContact OD2-NH2 3.28Å
119D97.9Very high98.1Very high133 Ų13348 Ų4871%0.71124%0.235SC*.Hα-helixtrans-54.1-33.6-178.6-70.1-26000112.9L123D119-L123 WeakPolarHBondContact O-CB 3.33Å; D119-L123 PolarHBondContact O-N 2.8Å
120R97.7Very high98.1Very high116 Ų11649 Ų4944%0.43824%0.237SC..Hα-helixtrans-68.1-42.7177.1-169.1-179-174.784.8-1.2112D118 L123 Y124 E198D118-R120 PolarHBondContact O-N 3.3Å; D118-R120 VanDerWaalsContact O-N 3.07Å; D118-R120 WeakPolarHBondContact OD2-CB 3.22Å; R120-L123 PolarHBondContact O-N 2.97Å; R120-Y124 HydrophobicContact CG-CD2 4.12Å; R120-Y124 HydrophobicContact CG-CE2 3.91Å; R120-Y124 VanDerWaalsContact O-CD2 3.24Å; R120-Y124 WeakPolarHBondContact O-CD2 2.72Å; R120-Y124 PolarHBondContact O-N 3Å; R120-E198 IonicContact CZ-OE1 2.87Å; R120-E198 IonicContact CZ-OE2 2.8Å; R120-E198 VanDerWaalsContact CZ-OE2 3.28Å; R120-E198 IonicContact NE-OE2 3.77Å; R120-E198 PolarHBondContact NE-OE2 3.02Å; R120-E198 IonicContact NH2-OE1 2.85Å; R120-E198 PolarHBondContact NH2-OE1 3.18Å; R120-E198 IonicContact NH2-OE2 3.52Å; R120-E198 PolarHBondContact NH2-OE2 3.42Å
121G97.9Very high98.2Very high0 Ų050.4 Ų50.40%024%0.242CC..Hα-helixtrans-62.9-44.9176.500000111.7D118 L123 Y124 R125D118-G121 PolarHBondContact O-N 3.26Å; G121-L123 PolarHBondContact O-N 3.48Å; G121-Y124 WeakPolarHBondContact O-CB 3.43Å; G121-Y124 PolarHBondContact O-N 3.42Å; G121-R125 PolarHBondContact O-N 3.07Å; G121-R125 PolarHBondContact O-NH1 3.27Å
122R98.4Very high98.2Very high109 Ų10948.8 Ų48.841%0.41123%0.232SC..Hα-helixtrans-57.3-46.7171.8-179.9177.6-176-163.85.9112.1D118 Y124 R125 R126 D323D118-R122 PolarHBondContact O-N 3.45Å; D118-R122 VanDerWaalsContact O-N 3.08Å; R122-Y124 VanDerWaalsContact C-N 3.34Å; R122-Y124 PolarHBondContact O-N 3.35Å; R122-R125 PolarHBondContact O-N 3.5Å; R122-R126 HydrophobicContact CG-CG 4.37Å; R122-R126 WeakPolarHBondContact O-CB 3.4Å; R122-R126 WeakPolarHBondContact O-CG 3.26Å; R122-R126 PolarHBondContact O-N 3.12Å; R122-D323 WeakPolarHBondContact CD-OD1 3.32Å; R122-D323 VanDerWaalsContact CG-OD1 3.24Å; R122-D323 WeakPolarHBondContact CG-OD1 3.36Å; R122-D323 IonicContact CZ-OD1 3.23Å; R122-D323 IonicContact CZ-OD2 3.81Å; R122-D323 VanDerWaalsContact CZ-OD2 3.22Å; R122-D323 IonicContact NE-OD1 2.69Å; R122-D323 PolarHBondContact NE-OD1 3.41Å; R122-D323 IonicContact NE-OD2 3.34Å; R122-D323 PolarHBondContact NE-OD2 2.87Å; R122-D323 IonicContact NH2-OD1 2.72Å; R122-D323 IonicContact NH2-OD2 2.72Å; R122-D323 PolarHBondContact NH2-OD2 2.96Å
123L98.5Very high98.3Very high109 Ų10947.2 Ų47.257%0.57122%0.216SC*.Hα-helixtrans-61.6-39.9179.3-174.665.5000112.2D119 R120 G121 T127D119-L123 WeakPolarHBondContact O-CB 3.33Å; D119-L123 PolarHBondContact O-N 2.8Å; R120-L123 PolarHBondContact O-N 2.97Å; G121-L123 PolarHBondContact O-N 3.48Å; L123-T127 WeakPolarHBondContact O-CB 3.38Å; L123-T127 PolarHBondContact O-N 3.32Å; L123-T127 PolarHBondContact O-OG1 3.2Å
124Y98.8Very high98.3Very high11 Ų1146.6 Ų46.64%0.04321%0.212CC..Hα-helixtrans-58.7-54.4174.1-89.9-65.7000111.8R120 G121 R122 R126 T127 L128 L191 Q194 A195 E198 R200R120-Y124 HydrophobicContact CG-CD2 4.12Å; R120-Y124 HydrophobicContact CG-CE2 3.91Å; R120-Y124 VanDerWaalsContact O-CD2 3.24Å; R120-Y124 WeakPolarHBondContact O-CD2 2.72Å; R120-Y124 PolarHBondContact O-N 3Å; G121-Y124 WeakPolarHBondContact O-CB 3.43Å; G121-Y124 PolarHBondContact O-N 3.42Å; R122-Y124 VanDerWaalsContact C-N 3.34Å; R122-Y124 PolarHBondContact O-N 3.35Å; Y124-R126 PolarHBondContact O-N 3.04Å; Y124-T127 PolarHBondContact O-N 3.45Å; Y124-L128 WeakPolarHBondContact O-CB 3.34Å; Y124-L128 VanDerWaalsContact O-CG 3.3Å; Y124-L128 WeakPolarHBondContact O-CG 3.21Å; Y124-L128 PolarHBondContact O-N 3.06Å; Y124-L191 HydrophobicContact CD1-CD1 3.86Å; Y124-L191 HydrophobicContact CD1-CD2 4.41Å; Y124-L191 HydrophobicContact CD1-CG 3.95Å; Y124-L191 HydrophobicContact CE1-CD1 3.52Å; Y124-L191 HydrophobicContact CE1-CG 4.02Å; Y124-Q194 PolarHBondContact OH-NE2 2.84Å; Y124-A195 HydrophobicContact CD1-CB 3.85Å; Y124-A195 HydrophobicContact CE1-CB 3.78Å; Y124-A195 HydrophobicContact CG-CB 4.39Å; Y124-E198 WeakPolarHBondContact CE2-OE2 3.28Å; Y124-E198 PolarHBondContact OH-OE1 3.48Å; Y124-E198 PolarHBondContact OH-OE2 3.43Å; Y124-R200 HydrophobicContact CD2-CG 4.04Å; Y124-R200 HydrophobicContact CE2-CG 3.96Å
125R98.8Very high98.3Very high6 Ų646.6 Ų46.62%0.02321%0.212CC..Hα-helixtrans-59.1-49.8-178.3-74.3-166.7-59.2-82.5-0.8112.3V110 V114 G116 G121 R122 T127 L128 M129 V322 Y326V110-R125 HydrophobicContact CG1-CB 4.09Å; V110-R125 HydrophobicContact CG1-CG 3.96Å; V114-R125 HydrophobicContact CB-CG 3.83Å; V114-R125 HydrophobicContact CG1-CG 3.75Å; V114-R125 WeakPolarHBondContact O-CD 3.49Å; V114-R125 PolarHBondContact O-NH1 2.85Å; G116-R125 PolarHBondContact O-NH1 3.34Å; G116-R125 PolarHBondContact O-NH2 3.49Å; G121-R125 PolarHBondContact O-N 3.07Å; G121-R125 PolarHBondContact O-NH1 3.27Å; R122-R125 PolarHBondContact O-N 3.5Å; R125-T127 PolarHBondContact O-N 3.05Å; R125-L128 PolarHBondContact O-N 3.18Å; R125-M129 PolarHBondContact O-N 3.08Å; R125-M129 VanDerWaalsContact O-N 3.16Å; R125-V322 HydrophobicContact CB-CB 4.01Å; R125-V322 HydrophobicContact CB-CG2 4.01Å; R125-V322 WeakPolarHBondContact CD-O 3.26Å; R125-V322 PolarHBondContact NE-O 2.84Å; R125-Y326 VanDerWaalsContact CZ-CD1 3.41Å
126R98.8Very high98.3Very high86 Ų8645 Ų4533%0.32521%0.207SC..Hα-helixtrans-63-41.3178.8-67.2179.368.376.88.9112.2R122 Y124 M129 R130 M319 D323R122-R126 HydrophobicContact CG-CG 4.37Å; R122-R126 WeakPolarHBondContact O-CB 3.4Å; R122-R126 WeakPolarHBondContact O-CG 3.26Å; R122-R126 PolarHBondContact O-N 3.12Å; Y124-R126 PolarHBondContact O-N 3.04Å; R126-M129 PolarHBondContact O-N 3.22Å; R126-R130 WeakPolarHBondContact O-CB 3.45Å; R126-R130 PolarHBondContact O-N 3.3Å; R126-M319 HydrophobicContact CB-SD 4.16Å; R126-M319 HydrophobicContact CG-SD 4.31Å; R126-M319 WeakPolarHBondContact O-CE 3.49Å; R126-D323 WeakPolarHBondContact CD-OD2 3.18Å; R126-D323 HydrophobicContact CG-CB 4.29Å; R126-D323 IonicContact CZ-OD2 3.98Å; R126-D323 IonicContact NE-OD2 2.94Å; R126-D323 IonicContact NH1-OD2 2.85Å; R126-D323 PolarHBondContact NH1-OD2 3.25Å
127T98.9Very high98.4Very high19 Ų1944.4 Ų44.412%0.11720%0.2CC..Hα-helixtrans-70-40.4-179.1-57.10000112L123 Y124 R125 R130 Y131 L191L123-T127 WeakPolarHBondContact O-CB 3.38Å; L123-T127 PolarHBondContact O-N 3.32Å; L123-T127 PolarHBondContact O-OG1 3.2Å; Y124-T127 PolarHBondContact O-N 3.45Å; R125-T127 PolarHBondContact O-N 3.05Å; T127-R130 PolarHBondContact O-N 3.5Å; T127-Y131 HydrophobicContact CG2-CD2 4.29Å; T127-Y131 HydrophobicContact CG2-CE1 4.05Å; T127-Y131 HydrophobicContact CG2-CE2 3.8Å; T127-Y131 PolarHBondContact O-N 2.85Å; T127-L191 HydrophobicContact CG2-CD2 3.58Å
128L98.9Very high98.6Very high0 Ų035.8 Ų35.80%017%0.168CC..Hα-helixtrans-57.3-50.5173.7-74.8169.7000110.8V110 V114 Y124 R125 R130 Y131 A132 F188 L191 A192V110-L128 HydrophobicContact CG1-CD1 4.38Å; V110-L128 HydrophobicContact CG2-CB 4.37Å; V110-L128 HydrophobicContact CG2-CD1 4.46Å; V114-L128 HydrophobicContact CG1-CD1 4.49Å; V114-L128 HydrophobicContact CG2-CD1 3.82Å; Y124-L128 WeakPolarHBondContact O-CB 3.34Å; Y124-L128 VanDerWaalsContact O-CG 3.3Å; Y124-L128 WeakPolarHBondContact O-CG 3.21Å; Y124-L128 PolarHBondContact O-N 3.06Å; R125-L128 PolarHBondContact O-N 3.18Å; L128-R130 VanDerWaalsContact C-N 3.33Å; L128-R130 PolarHBondContact O-N 3.35Å; L128-Y131 PolarHBondContact O-N 2.61Å; L128-A132 PolarHBondContact O-N 3.39Å; L128-F188 HydrophobicContact CB-CD2 4.1Å; L128-F188 HydrophobicContact CB-CE2 3.64Å; L128-F188 HydrophobicContact CB-CZ 4.12Å; L128-F188 HydrophobicContact CD2-CD1 3.86Å; L128-F188 HydrophobicContact CD2-CD2 3.83Å; L128-F188 HydrophobicContact CD2-CE1 3.91Å; L128-F188 HydrophobicContact CD2-CE2 3.86Å; L128-F188 HydrophobicContact CD2-CG 3.83Å; L128-F188 HydrophobicContact CD2-CZ 3.9Å; L128-F188 HydrophobicContact CG-CE2 4.32Å; L128-F188 HydrophobicContact CG-CZ 4.46Å; L128-F188 WeakPolarHBondContact O-CD2 3.37Å; L128-F188 VanDerWaalsContact O-CE2 3.26Å; L128-F188 WeakPolarHBondContact O-CE2 3.41Å; L128-L191 HydrophobicContact CD2-CB 4.02Å; L128-L191 HydrophobicContact CD2-CD2 3.89Å; L128-L191 HydrophobicContact CD2-CG 4.09Å; L128-L191 HydrophobicContact CG-CD2 3.96Å; L128-L191 HydrophobicContact CG-CG 4.44Å; L128-A192 HydrophobicContact CD2-CB 4.3Å
129M98.8Very high98.6Very high0 Ų032.4 Ų32.40%015%0.15CC..Hα-helixtrans-66-35.2178.1-67.4-44.8-55.300113.1P103 L106 M107 V110 R125 R126 Y131 A132 G133 M319 V322P103-M129 HydrophobicContact CB-CE 3.57Å; L106-M129 HydrophobicContact CB-CE 4.42Å; L106-M129 HydrophobicContact CG-SD 4.37Å; M107-M129 HydrophobicContact CB-CE 3.79Å; M107-M129 HydrophobicContact CB-SD 4.03Å; V110-M129 HydrophobicContact CB-SD 4.12Å; V110-M129 HydrophobicContact CG1-CG 4.47Å; V110-M129 HydrophobicContact CG2-SD 3.8Å; R125-M129 PolarHBondContact O-N 3.08Å; R125-M129 VanDerWaalsContact O-N 3.16Å; R126-M129 PolarHBondContact O-N 3.22Å; M129-Y131 VanDerWaalsContact C-N 3.33Å; M129-Y131 PolarHBondContact O-N 3.18Å; M129-A132 PolarHBondContact O-N 3.23Å; M129-G133 PolarHBondContact O-N 3.3Å; M129-M319 HydrophobicContact CB-CE 4.19Å; M129-V322 HydrophobicContact CB-CG2 4.37Å; M129-V322 HydrophobicContact CG-CB 4.22Å; M129-V322 HydrophobicContact CG-CG1 3.53Å; M129-V322 HydrophobicContact CG-CG2 3.77Å; M129-V322 HydrophobicContact SD-CG1 4.25Å
130R98.8Very high98.7Very high29 Ų2926.3 Ų26.311%0.10912%0.117CC..Hα-helixtrans-65-36.2175-170.7172.45670.73.5112R126 T127 L128 G133 L134 F162 E167 F315 M319R126-R130 WeakPolarHBondContact O-CB 3.45Å; R126-R130 PolarHBondContact O-N 3.3Å; T127-R130 PolarHBondContact O-N 3.5Å; L128-R130 VanDerWaalsContact C-N 3.33Å; L128-R130 PolarHBondContact O-N 3.35Å; R130-G133 PolarHBondContact O-N 3.42Å; R130-L134 WeakPolarHBondContact O-CB 3.44Å; R130-L134 PolarHBondContact O-N 3.02Å; R130-F162 WeakPolarHBondContact CD-O 3.46Å; R130-F162 VanDerWaalsContact CG-O 3.27Å; R130-F162 WeakPolarHBondContact CG-O 3.4Å; R130-F162 PolarHBondContact NH1-O 3.35Å; R130-E167 IonicContact CZ-OE1 3.4Å; R130-E167 IonicContact CZ-OE2 3.55Å; R130-E167 IonicContact NH1-OE1 2.69Å; R130-E167 PolarHBondContact NH1-OE1 3.45Å; R130-E167 IonicContact NH1-OE2 2.71Å; R130-E167 PolarHBondContact NH1-OE2 3.37Å; R130-E167 IonicContact NH2-OE1 3.55Å; R130-E167 PolarHBondContact NH2-OE1 3.49Å; R130-E167 IonicContact NH2-OE2 3.48Å; R130-E167 PolarHBondContact NH2-OE2 2.94Å; R130-F315 HydrophobicContact CB-CE2 4.5Å; R130-F315 HydrophobicContact CG-CE2 4.08Å; R130-F315 HydrophobicContact CG-CZ 4.45Å; R130-M319 HydrophobicContact CB-CE 3.7Å; R130-M319 HydrophobicContact CG-CE 4.44Å
131Y98.9Very high98.7Very high30 Ų3022.6 Ų22.612%0.11810%0.103CC..Hα-helixtrans-65.3-40.5174.4-71.6-21.6000112.8T127 L128 M129 L134 S135 E167 P184 W187 F188 L191T127-Y131 HydrophobicContact CG2-CD2 4.29Å; T127-Y131 HydrophobicContact CG2-CE1 4.05Å; T127-Y131 HydrophobicContact CG2-CE2 3.8Å; T127-Y131 PolarHBondContact O-N 2.85Å; L128-Y131 PolarHBondContact O-N 2.61Å; M129-Y131 VanDerWaalsContact C-N 3.33Å; M129-Y131 PolarHBondContact O-N 3.18Å; Y131-L134 PolarHBondContact O-N 3.21Å; Y131-S135 PolarHBondContact O-N 3.12Å; Y131-E167 VanDerWaalsContact CE1-OE1 3.29Å; Y131-E167 WeakPolarHBondContact CE1-OE1 3.45Å; Y131-E167 PolarHBondContact OH-OE1 3.2Å; Y131-P184 VanDerWaalsContact O-CB 3.23Å; Y131-P184 WeakPolarHBondContact O-CB 3.27Å; Y131-W187 HydrophobicContact CD1-CE3 4.07Å; Y131-W187 HydrophobicContact CD2-CB 3.85Å; Y131-W187 HydrophobicContact CE1-CB 4.36Å; Y131-W187 AromaticContact CE1-CE3 3.73Å; Y131-W187 HydrophobicContact CE1-CE3 3.73Å; Y131-W187 HydrophobicContact CE1-CZ3 4.43Å; Y131-W187 HydrophobicContact CE2-CB 3.61Å; Y131-W187 HydrophobicContact CG-CB 4.32Å; Y131-F188 HydrophobicContact CD2-CB 4.35Å; Y131-L191 HydrophobicContact CD2-CD2 4.26Å; Y131-L191 HydrophobicContact CE2-CB 4.26Å; Y131-L191 HydrophobicContact CE2-CD2 3.8Å
132A98.8Very high98.7Very high0 Ų024.6 Ų24.60%012%0.117CC..Hα-helixtrans-62.8-47.8172.700000111.3L106 L128 M129 L134 S135 A136 F217L106-A132 HydrophobicContact CD2-CB 3.59Å; L128-A132 PolarHBondContact O-N 3.39Å; M129-A132 PolarHBondContact O-N 3.23Å; A132-L134 VanDerWaalsContact C-N 3.32Å; A132-L134 PolarHBondContact O-N 3.07Å; A132-S135 WeakPolarHBondContact O-CB 3.43Å; A132-S135 PolarHBondContact O-N 3.35Å; A132-A136 PolarHBondContact O-N 3.3Å; A132-F217 HydrophobicContact CB-CE1 4.19Å; A132-F217 HydrophobicContact CB-CZ 4.15Å; A132-F217 WeakPolarHBondContact O-CE1 3.47Å; A132-F217 VanDerWaalsContact O-CZ 3.29Å; A132-F217 WeakPolarHBondContact O-CZ 3.49Å
133G98.6Very high98.7Very high17 Ų1719.7 Ų19.718%0.17510%0.099CC..Hα-helixtrans-60-39.6175.500000113.1M129 R130 A136 V137M129-G133 PolarHBondContact O-N 3.3Å; R130-G133 PolarHBondContact O-N 3.42Å; G133-A136 WeakPolarHBondContact O-CB 3.4Å; G133-A136 PolarHBondContact O-N 2.91Å; G133-V137 WeakPolarHBondContact O-CG2 3.4Å; G133-V137 PolarHBondContact O-N 2.83Å
134L98.9Very high98.7Very high0 Ų014.6 Ų14.60%07%0.073CC..Hα-helixtrans-65-43.7176.9179.458.9000111.5R130 Y131 A132 A136 V137 L138 V157 F162 M163 P184 W187R130-L134 WeakPolarHBondContact O-CB 3.44Å; R130-L134 PolarHBondContact O-N 3.02Å; Y131-L134 PolarHBondContact O-N 3.21Å; A132-L134 VanDerWaalsContact C-N 3.32Å; A132-L134 PolarHBondContact O-N 3.07Å; L134-A136 VanDerWaalsContact C-N 3.34Å; L134-A136 PolarHBondContact O-N 2.82Å; L134-V137 PolarHBondContact O-N 2.92Å; L134-L138 HydrophobicContact CD1-CD1 4.4Å; L134-L138 HydrophobicContact CD1-CG 4.21Å; L134-L138 HydrophobicContact CG-CD1 4.26Å; L134-L138 HydrophobicContact CG-CG 4.49Å; L134-L138 WeakPolarHBondContact O-CB 3.35Å; L134-L138 VanDerWaalsContact O-CG 3.25Å; L134-L138 WeakPolarHBondContact O-CG 3.14Å; L134-L138 PolarHBondContact O-N 2.61Å; L134-V157 HydrophobicContact CD1-CG1 3.56Å; L134-F162 HydrophobicContact CD1-CB 4.02Å; L134-M163 HydrophobicContact CD1-CB 3.95Å; L134-M163 HydrophobicContact CD1-CE 3.99Å; L134-M163 HydrophobicContact CD2-CB 4.12Å; L134-M163 HydrophobicContact CD2-CE 3.9Å; L134-M163 HydrophobicContact CD2-CG 4.19Å; L134-M163 HydrophobicContact CG-CE 4.39Å; L134-P184 HydrophobicContact CB-CB 4.3Å; L134-P184 HydrophobicContact CB-CG 4.21Å; L134-P184 HydrophobicContact CD2-CB 4.2Å; L134-P184 HydrophobicContact CD2-CG 3.74Å; L134-P184 HydrophobicContact CG-CB 4.28Å; L134-P184 HydrophobicContact CG-CG 3.7Å; L134-W187 HydrophobicContact CD2-CZ3 4.23Å
135S98.8Very high98.7Very high0 Ų017.1 Ų17.10%09%0.09CC..Hα-helixtrans-58.3-46.4173.7-179.20000111.4Y131 A132 V137 L138 I139 Y181 C185Y131-S135 PolarHBondContact O-N 3.12Å; A132-S135 WeakPolarHBondContact O-CB 3.43Å; A132-S135 PolarHBondContact O-N 3.35Å; S135-V137 PolarHBondContact O-N 3.49Å; S135-L138 PolarHBondContact O-N 3.35Å; S135-I139 WeakPolarHBondContact O-CG2 3.34Å; S135-I139 PolarHBondContact O-N 3.4Å; S135-Y181 PolarHBondContact OG-O 3.17Å; S135-Y181 VanDerWaalsContact OG-O 3.04Å; S135-C185 PolarHBondContact OG-SG 3.16Å
136A98.7Very high98.6Very high9 Ų917.7 Ų17.77%0.07410%0.096CC..Hα-helixtrans-58.3-47174.600000112.7P101 A132 G133 L134 L138 I139 L140 F217P101-A136 HydrophobicContact CB-CB 3.98Å; P101-A136 HydrophobicContact CG-CB 3.64Å; A132-A136 PolarHBondContact O-N 3.3Å; G133-A136 WeakPolarHBondContact O-CB 3.4Å; G133-A136 PolarHBondContact O-N 2.91Å; L134-A136 VanDerWaalsContact C-N 3.34Å; L134-A136 PolarHBondContact O-N 2.82Å; A136-L138 VanDerWaalsContact C-N 3.34Å; A136-L138 PolarHBondContact O-N 3.44Å; A136-I139 VanDerWaalsContact O-CG2 3.23Å; A136-I139 WeakPolarHBondContact O-CG2 3.37Å; A136-I139 PolarHBondContact O-N 2.92Å; A136-L140 VanDerWaalsContact O-CB 3.23Å; A136-L140 WeakPolarHBondContact O-CB 3.48Å; A136-L140 WeakPolarHBondContact O-CG 3.25Å; A136-L140 PolarHBondContact O-N 2.74Å; A136-F217 HydrophobicContact CB-CZ 3.96Å
137V98.8Very high98.6Very high1 Ų113.6 Ų13.61%0.0068%0.08CC..Hα-helixtrans-62.4-42.1178170.10000111.2G133 L134 S135 L140 R141 F151 V157 F162 I311G133-V137 WeakPolarHBondContact O-CG2 3.4Å; G133-V137 PolarHBondContact O-N 2.83Å; L134-V137 PolarHBondContact O-N 2.92Å; S135-V137 PolarHBondContact O-N 3.49Å; V137-L140 PolarHBondContact O-N 3.48Å; V137-R141 WeakPolarHBondContact O-CB 3.46Å; V137-R141 VanDerWaalsContact O-CG 3.26Å; V137-R141 WeakPolarHBondContact O-CG 3.48Å; V137-R141 PolarHBondContact O-N 2.9Å; V137-F151 HydrophobicContact CG1-CD2 3.98Å; V137-F151 HydrophobicContact CG1-CE2 4.12Å; V137-F151 HydrophobicContact CG1-CG 4.48Å; V137-V157 HydrophobicContact CG1-CG1 4.27Å; V137-V157 HydrophobicContact CG1-CG2 4.35Å; V137-F162 HydrophobicContact CG2-CD1 3.83Å; V137-F162 HydrophobicContact CG2-CD2 4.3Å; V137-F162 HydrophobicContact CG2-CE1 3.78Å; V137-F162 HydrophobicContact CG2-CE2 4.27Å; V137-F162 HydrophobicContact CG2-CG 4.1Å; V137-F162 HydrophobicContact CG2-CZ 4.02Å; V137-I311 HydrophobicContact CG2-CD1 4.33Å; V137-I311 HydrophobicContact CG2-CG1 4.35Å; V137-I311 HydrophobicContact CG2-CG2 3.85Å
138L98.8Very high98.6Very high6 Ų617.6 Ų17.63%0.03110%0.096CC..Hα-helixtrans-65.1-39.8180-70.7177.3000112.8L134 S135 A136 R141 S142 I154 F171 P184L134-L138 HydrophobicContact CD1-CD1 4.4Å; L134-L138 HydrophobicContact CD1-CG 4.21Å; L134-L138 HydrophobicContact CG-CD1 4.26Å; L134-L138 HydrophobicContact CG-CG 4.49Å; L134-L138 WeakPolarHBondContact O-CB 3.35Å; L134-L138 VanDerWaalsContact O-CG 3.25Å; L134-L138 WeakPolarHBondContact O-CG 3.14Å; L134-L138 PolarHBondContact O-N 2.61Å; S135-L138 PolarHBondContact O-N 3.35Å; A136-L138 VanDerWaalsContact C-N 3.34Å; A136-L138 PolarHBondContact O-N 3.44Å; L138-R141 VanDerWaalsContact O-CG 3.27Å; L138-R141 WeakPolarHBondContact O-CG 3.49Å; L138-S142 PolarHBondContact O-OG 3.27Å; L138-I154 HydrophobicContact CD2-CD1 3.94Å; L138-F171 HydrophobicContact CD1-CE2 3.88Å; L138-F171 HydrophobicContact CD1-CZ 4.12Å; L138-P184 HydrophobicContact CD1-CG 3.86Å
139I98.8Very high98.6Very high0 Ų023.6 Ų23.60%012%0.122CC..Hα-helixtrans-73-43.4174.3-173.260.8000111.4P101 S135 A136 R141 S142 V143 Y181 C221 L224 F225P101-I139 HydrophobicContact CG-CG2 4.43Å; S135-I139 WeakPolarHBondContact O-CG2 3.34Å; S135-I139 PolarHBondContact O-N 3.4Å; A136-I139 VanDerWaalsContact O-CG2 3.23Å; A136-I139 WeakPolarHBondContact O-CG2 3.37Å; A136-I139 PolarHBondContact O-N 2.92Å; I139-R141 PolarHBondContact O-N 3.24Å; I139-S142 WeakPolarHBondContact O-CA 3.44Å; I139-S142 VanDerWaalsContact O-CB 3.27Å; I139-S142 WeakPolarHBondContact O-CB 3.38Å; I139-S142 PolarHBondContact O-N 3.17Å; I139-V143 HydrophobicContact CD1-CG1 4.13Å; I139-V143 PolarHBondContact O-N 2.98Å; I139-V143 VanDerWaalsContact O-N 3.15Å; I139-Y181 HydrophobicContact CB-CD2 4.23Å; I139-Y181 HydrophobicContact CB-CG 4.21Å; I139-Y181 HydrophobicContact CD1-CD1 4.14Å; I139-Y181 HydrophobicContact CD1-CD2 4.47Å; I139-Y181 HydrophobicContact CD1-CE1 4.37Å; I139-Y181 HydrophobicContact CD1-CG 4.2Å; I139-C221 HydrophobicContact CB-CB 4.43Å; I139-C221 HydrophobicContact CG1-CB 4.5Å; I139-C221 WeakPolarHBondContact CG1-O 3.44Å; I139-C221 HydrophobicContact CG2-CB 4.02Å; I139-L224 HydrophobicContact CG1-CB 4.09Å; I139-F225 HydrophobicContact CD1-CB 3.83Å; I139-F225 HydrophobicContact CD1-CD2 4.08Å; I139-F225 HydrophobicContact CD1-CG 4.45Å
140L98.8Very high98.6Very high5 Ų527.9 Ų27.93%0.02614%0.139CC..Hα-helixtrans-64.7-38.4-178.2-73.1174000112.6M100 P101 A136 V137 S142 V143 S144 V147 L224 T307 I311M100-L140 HydrophobicContact CE-CD1 4.01Å; M100-L140 HydrophobicContact CE-CD2 3.52Å; M100-L140 HydrophobicContact CE-CG 4.44Å; M100-L140 HydrophobicContact SD-CD2 3.87Å; P101-L140 HydrophobicContact CG-CD1 4.44Å; A136-L140 VanDerWaalsContact O-CB 3.23Å; A136-L140 WeakPolarHBondContact O-CB 3.48Å; A136-L140 WeakPolarHBondContact O-CG 3.25Å; A136-L140 PolarHBondContact O-N 2.74Å; V137-L140 PolarHBondContact O-N 3.48Å; L140-S142 PolarHBondContact O-N 3.29Å; L140-V143 PolarHBondContact O-N 2.99Å; L140-S144 WeakPolarHBondContact O-CA 3.49Å; L140-S144 VanDerWaalsContact O-CB 3.25Å; L140-S144 WeakPolarHBondContact O-CB 3.49Å; L140-S144 PolarHBondContact O-N 3.21Å; L140-V147 HydrophobicContact CB-CB 4.49Å; L140-V147 HydrophobicContact CB-CG1 4.14Å; L140-V147 HydrophobicContact CB-CG2 4.25Å; L140-L224 HydrophobicContact CD2-CD1 4.01Å; L140-T307 HydrophobicContact CD2-CG2 4.5Å; L140-I311 HydrophobicContact CB-CD1 4.32Å; L140-I311 HydrophobicContact CD1-CD1 3.87Å; L140-I311 HydrophobicContact CD1-CG1 3.68Å
141R98.6Very high98.6Very high37 Ų3726.7 Ų26.714%0.1413%0.134CC..Hα-helixtrans-67.8-15.3172.373.7-177.8-68.1-81.2-5.4113.6V137 L138 I139 V147 F148 F151 P152V137-R141 WeakPolarHBondContact O-CB 3.46Å; V137-R141 VanDerWaalsContact O-CG 3.26Å; V137-R141 WeakPolarHBondContact O-CG 3.48Å; V137-R141 PolarHBondContact O-N 2.9Å; L138-R141 VanDerWaalsContact O-CG 3.27Å; L138-R141 WeakPolarHBondContact O-CG 3.49Å; I139-R141 PolarHBondContact O-N 3.24Å; R141-V147 HydrophobicContact CB-CG1 3.89Å; R141-F148 WeakPolarHBondContact O-CB 3.43Å; R141-F148 WeakPolarHBondContact O-CD2 3.29Å; R141-F151 PolarHBondContact NE-O 2.71Å; R141-F151 PolarHBondContact NH2-O 3.45Å; R141-P152 VanDerWaalsContact NH2-C 3.26Å; R141-P152 PolarHBondContact NH2-O 2.96Å
142S98.4Very high98.6Very high42 Ų4227.6 Ų27.629%0.29414%0.144SC..Hα-helixtrans-86.2-35.7177.3-55.30000111.7L138 I139 L140 N179L138-S142 PolarHBondContact O-OG 3.27Å; I139-S142 WeakPolarHBondContact O-CA 3.44Å; I139-S142 VanDerWaalsContact O-CB 3.27Å; I139-S142 WeakPolarHBondContact O-CB 3.38Å; I139-S142 PolarHBondContact O-N 3.17Å; L140-S142 PolarHBondContact O-N 3.29Å; S142-N179 PolarHBondContact OG-ND2 2.87Å
143V98.4Very high98.5Very high6 Ų630.5 Ų30.54%0.03616%0.162CC..Hα-helixtrans-103.4-20.4-174.7-52.70000113.8I139 L140 D228 F298I139-V143 HydrophobicContact CD1-CG1 4.13Å; I139-V143 PolarHBondContact O-N 2.98Å; I139-V143 VanDerWaalsContact O-N 3.15Å; L140-V143 PolarHBondContact O-N 2.99Å; V143-D228 HydrophobicContact CB-CB 4.11Å; V143-D228 HydrophobicContact CG1-CB 3.59Å; V143-F298 HydrophobicContact CG2-CD2 4.4Å; V143-F298 HydrophobicContact CG2-CG 4.36Å; V143-F298 WeakPolarHBondContact O-CB 3.21Å
144S98.6Very high98.5Very high2 Ų231.2 Ų31.21%0.01416%0.161CC..  trans-112.3123.6-178-178.80000112.5L140 V147 F148 F298 T307L140-S144 WeakPolarHBondContact O-CA 3.49Å; L140-S144 VanDerWaalsContact O-CB 3.25Å; L140-S144 WeakPolarHBondContact O-CB 3.49Å; L140-S144 PolarHBondContact O-N 3.21Å; S144-V147 PolarHBondContact O-N 3.01Å; S144-F148 WeakPolarHBondContact O-CB 3.46Å; S144-F148 PolarHBondContact O-N 2.89Å; S144-F298 VanDerWaalsContact CA-O 3.27Å; S144-F298 WeakPolarHBondContact CA-O 3.28Å; S144-F298 PolarHBondContact OG-O 3.4Å; S144-T307 PolarHBondContact OG-OG1 2.96Å
145T97.9Very high98.5Very high64 Ų6433.4 Ų33.439%0.39317%0.173SC..Hα-helixtrans-66.3-38.9176.959.40000111.5V147 F148 K149 F298 G299T145-V147 VanDerWaalsContact C-N 3.31Å; T145-V147 PolarHBondContact O-N 3.43Å; T145-F148 PolarHBondContact O-N 3.2Å; T145-K149 WeakPolarHBondContact O-CB 3.42Å; T145-K149 WeakPolarHBondContact O-CG 3.25Å; T145-K149 PolarHBondContact O-N 3.22Å; T145-F298 PolarHBondContact N-O 2.87Å; T145-F298 VanDerWaalsContact N-O 3.12Å; T145-G299 WeakPolarHBondContact OG1-CA 3Å
146A97.6Very high98.5Very high19 Ų1937.1 Ų37.116%0.15719%0.19CC..Hα-helixtrans-60.3-38.4175.100000112.6E300 N308A146-E300 HydrophobicContact CB-CG 4.06Å; A146-N308 PolarHBondContact O-ND2 3.29Å
147V98.6Very high98.5Very high0 Ų036.7 Ų36.70%019%0.186CC..Hα-helixtrans-78.7-38.6177-176.80000111.1L140 R141 S144 T145 K149 R150 F151 T307 I311L140-V147 HydrophobicContact CB-CB 4.49Å; L140-V147 HydrophobicContact CB-CG1 4.14Å; L140-V147 HydrophobicContact CB-CG2 4.25Å; R141-V147 HydrophobicContact CB-CG1 3.89Å; S144-V147 PolarHBondContact O-N 3.01Å; T145-V147 VanDerWaalsContact C-N 3.31Å; T145-V147 PolarHBondContact O-N 3.43Å; V147-K149 VanDerWaalsContact C-N 3.31Å; V147-K149 PolarHBondContact O-N 3.21Å; V147-R150 WeakPolarHBondContact O-CB 3.41Å; V147-R150 PolarHBondContact O-N 3.26Å; V147-R150 VanDerWaalsContact O-N 3.08Å; V147-F151 HydrophobicContact CG1-CD2 3.73Å; V147-F151 HydrophobicContact CG1-CE2 4.13Å; V147-F151 PolarHBondContact O-N 3.16Å; V147-T307 WeakPolarHBondContact CG2-OG1 3.33Å; V147-I311 HydrophobicContact CB-CD1 4.46Å; V147-I311 HydrophobicContact CG1-CD1 3.63Å; V147-I311 HydrophobicContact CG2-CD1 3.89Å
148F98.6Very high98.5Very high102 Ų10237.2 Ų37.245%0.44719%0.19SC..Hα-helixtrans-59.6-42.3176-178-98.3000111.7R141 S144 T145 R150 F151 P152R141-F148 WeakPolarHBondContact O-CB 3.43Å; R141-F148 WeakPolarHBondContact O-CD2 3.29Å; S144-F148 WeakPolarHBondContact O-CB 3.46Å; S144-F148 PolarHBondContact O-N 2.89Å; T145-F148 PolarHBondContact O-N 3.2Å; F148-R150 PolarHBondContact O-N 3.06Å; F148-F151 CarbonylContact O-C 3.56Å; F148-F151 PolarHBondContact O-N 3.33Å; F148-F151 VanDerWaalsContact O-N 3.16Å; F148-P152 VanDerWaalsContact O-CA 3.26Å; F148-P152 WeakPolarHBondContact O-CA 3.41Å; F148-P152 WeakPolarHBondContact O-CD 3.33Å; F148-P152 WeakPolarHBondContact O-CG 3.43Å
149K98.5Very high98.5Very high126 Ų12643.2 Ų43.255%0.54822%0.217SC..Hα-helixtrans-61.8-31.4174.9-76.6173.8171.6-179.90113T145 V147 E300T145-K149 WeakPolarHBondContact O-CB 3.42Å; T145-K149 WeakPolarHBondContact O-CG 3.25Å; T145-K149 PolarHBondContact O-N 3.22Å; V147-K149 VanDerWaalsContact C-N 3.31Å; V147-K149 PolarHBondContact O-N 3.21Å; K149-E300 VanDerWaalsContact CD-OE1 3.28Å; K149-E300 WeakPolarHBondContact CD-OE1 3.23Å; K149-E300 IonicContact NZ-OE1 3.42Å; K149-E300 PolarHBondContact NZ-OE1 3.27Å; K149-E300 IonicContact NZ-OE2 3.42Å; K149-E300 PolarHBondContact NZ-OE2 3.3Å
150R98.5Very high98.4Very high90 Ų9045.4 Ų45.434%0.3424%0.236SC..Hα-helixtrans-76.4-36173.6-173180178.5-177.60.3112.4V147 F148 N308 D312V147-R150 WeakPolarHBondContact O-CB 3.41Å; V147-R150 PolarHBondContact O-N 3.26Å; V147-R150 VanDerWaalsContact O-N 3.08Å; F148-R150 PolarHBondContact O-N 3.06Å; R150-N308 WeakPolarHBondContact CD-OD1 3.21Å; R150-D312 IonicContact CZ-OD1 3.59Å; R150-D312 VanDerWaalsContact CZ-OD1 3.29Å; R150-D312 IonicContact CZ-OD2 3.56Å; R150-D312 VanDerWaalsContact NH1-CG 3.31Å; R150-D312 IonicContact NH1-OD1 2.71Å; R150-D312 PolarHBondContact NH1-OD1 3.47Å; R150-D312 IonicContact NH1-OD2 3.98Å; R150-D312 PolarHBondContact NH1-OD2 2.8Å; R150-D312 IonicContact NH2-OD1 2.79Å; R150-D312 PolarHBondContact NH2-OD1 3.29Å; R150-D312 IonicContact NH2-OD2 3.7Å; R150-D312 PolarHBondContact NH2-OD2 2.87Å
151F98.6Very high98.4Very high4 Ų447.2 Ų47.22%0.01826%0.255CS..  trans-126.968.2-179.8-50.9-66.3000113.1V137 R141 V147 F148 T153 H156 V157 A160 F162 I311V137-F151 HydrophobicContact CG1-CD2 3.98Å; V137-F151 HydrophobicContact CG1-CE2 4.12Å; V137-F151 HydrophobicContact CG1-CG 4.48Å; R141-F151 PolarHBondContact NE-O 2.71Å; R141-F151 PolarHBondContact NH2-O 3.45Å; V147-F151 HydrophobicContact CG1-CD2 3.73Å; V147-F151 HydrophobicContact CG1-CE2 4.13Å; V147-F151 PolarHBondContact O-N 3.16Å; F148-F151 CarbonylContact O-C 3.56Å; F148-F151 PolarHBondContact O-N 3.33Å; F148-F151 VanDerWaalsContact O-N 3.16Å; F151-T153 VanDerWaalsContact C-N 3.28Å; F151-T153 PolarHBondContact O-N 2.97Å; F151-H156 HydrophobicContact CB-CB 4.47Å; F151-H156 HydrophobicContact CD1-CB 4.27Å; F151-V157 HydrophobicContact CB-CG2 3.92Å; F151-V157 HydrophobicContact CD1-CG2 4.47Å; F151-V157 HydrophobicContact CG-CG2 4.3Å; F151-A160 HydrophobicContact CD1-CB 4.39Å; F151-A160 HydrophobicContact CE1-CB 3.63Å; F151-A160 HydrophobicContact CZ-CB 4.49Å; F151-F162 HydrophobicContact CE1-CD2 4.48Å; F151-F162 HydrophobicContact CE1-CE2 4.2Å; F151-F162 HydrophobicContact CZ-CD2 4.4Å; F151-F162 AromaticContact CZ-CE2 3.79Å; F151-F162 HydrophobicContact CZ-CE2 3.79Å; F151-I311 HydrophobicContact CE2-CD1 4.37Å
152P98.5Very high98.4Very high49 Ų4945.8 Ų45.832%0.31825%0.25SS..SBendtrans-65.8-31.2-174.1-23.234.7000113.3R141 F148R141-P152 VanDerWaalsContact NH2-C 3.26Å; R141-P152 PolarHBondContact NH2-O 2.96Å; F148-P152 VanDerWaalsContact O-CA 3.26Å; F148-P152 WeakPolarHBondContact O-CA 3.41Å; F148-P152 WeakPolarHBondContact O-CD 3.33Å; F148-P152 WeakPolarHBondContact O-CG 3.43Å
153T98.4Very high98.4Very high62 Ų6243.9 Ų43.938%0.3824%0.237SC..SBendtrans-128164.2179.171.30000111.2F151 D155 H156F151-T153 VanDerWaalsContact C-N 3.28Å; F151-T153 PolarHBondContact O-N 2.97Å; T153-D155 PolarHBondContact O-N 3.08Å; T153-D155 WeakPolarHBondContact OG1-CB 3.24Å; T153-D155 PolarHBondContact OG1-N 3.42Å; T153-H156 WeakPolarHBondContact O-CB 3.16Å; T153-H156 PolarHBondContact O-N 3.12Å; T153-H156 VanDerWaalsContact O-N 3.16Å; T153-H156 PolarHBondContact OG1-ND1 2.95Å
154I98.4Very high98.4Very high31 Ų3146.5 Ų46.516%0.15925%0.253CS..Hα-helixtrans-63.5-28174.6-59.1-57.6000111.4L138 H156 V157 V158 M163 R168 F171L138-I154 HydrophobicContact CD2-CD1 3.94Å; I154-H156 VanDerWaalsContact C-N 3.32Å; I154-H156 PolarHBondContact O-N 3.39Å; I154-V157 WeakPolarHBondContact O-CB 3.28Å; I154-V157 PolarHBondContact O-N 3.43Å; I154-V157 VanDerWaalsContact O-N 3.12Å; I154-V158 WeakPolarHBondContact O-CG2 3.47Å; I154-V158 PolarHBondContact O-N 2.96Å; I154-M163 HydrophobicContact CG2-CE 4.25Å; I154-M163 HydrophobicContact CG2-SD 3.85Å; I154-R168 HydrophobicContact CG2-CG 4.06Å; I154-F171 HydrophobicContact CD1-CE1 4.3Å; I154-F171 HydrophobicContact CG1-CE1 4.48Å
155D98.4Very high98.4Very high47 Ų4752.3 Ų52.325%0.25127%0.274SS..Hα-helixtrans-55.9-44.3171-84.8-69.9000112.7T153 V157 V158 E159 R165 R168T153-D155 PolarHBondContact O-N 3.08Å; T153-D155 WeakPolarHBondContact OG1-CB 3.24Å; T153-D155 PolarHBondContact OG1-N 3.42Å; D155-V157 VanDerWaalsContact C-N 3.26Å; D155-V157 PolarHBondContact O-N 2.94Å; D155-V158 WeakPolarHBondContact O-CA 3.36Å; D155-V158 WeakPolarHBondContact O-CB 3.37Å; D155-V158 PolarHBondContact O-N 3.32Å; D155-E159 WeakPolarHBondContact O-CG 3.19Å; D155-E159 PolarHBondContact O-N 2.87Å; D155-R165 IonicContact OD1-CZ 2.72Å; D155-R165 IonicContact OD1-NH1 2.69Å; D155-R165 PolarHBondContact OD1-NH1 3.17Å; D155-R168 IonicContact OD1-CZ 3.34Å; D155-R168 IonicContact OD1-NH1 3.63Å; D155-R168 PolarHBondContact OD1-NH1 3.44Å; D155-R168 IonicContact OD1-NH2 3.45Å; D155-R168 IonicContact OD2-CZ 3.41Å; D155-R168 IonicContact OD2-NH1 2.64Å; D155-R168 PolarHBondContact OD2-NH1 3.4Å; D155-R168 IonicContact OD2-NH2 2.67Å; D155-R168 PolarHBondContact OD2-NH2 3.3Å
156H98.8Very high98.4Very high77 Ų7755.3 Ų55.336%0.35628%0.284SS..Hα-helixtrans-63.8-34.4177.7-66.281000111.8F151 T153 I154 V158 A160F151-H156 HydrophobicContact CB-CB 4.47Å; F151-H156 HydrophobicContact CD1-CB 4.27Å; T153-H156 WeakPolarHBondContact O-CB 3.16Å; T153-H156 PolarHBondContact O-N 3.12Å; T153-H156 VanDerWaalsContact O-N 3.16Å; T153-H156 PolarHBondContact OG1-ND1 2.95Å; I154-H156 VanDerWaalsContact C-N 3.32Å; I154-H156 PolarHBondContact O-N 3.39Å; H156-V158 VanDerWaalsContact C-N 3.3Å; H156-A160 WeakPolarHBondContact O-CB 3.5Å; H156-A160 PolarHBondContact O-N 3.29Å
157V98.8Very high98.4Very high0 Ų055.2 Ų55.20%028%0.28CS..Hα-helixtrans-67.3-35.1174.9-1770000110.9L134 V137 F151 I154 D155 F162 M163L134-V157 HydrophobicContact CD1-CG1 3.56Å; V137-V157 HydrophobicContact CG1-CG1 4.27Å; V137-V157 HydrophobicContact CG1-CG2 4.35Å; F151-V157 HydrophobicContact CB-CG2 3.92Å; F151-V157 HydrophobicContact CD1-CG2 4.47Å; F151-V157 HydrophobicContact CG-CG2 4.3Å; I154-V157 WeakPolarHBondContact O-CB 3.28Å; I154-V157 PolarHBondContact O-N 3.43Å; I154-V157 VanDerWaalsContact O-N 3.12Å; D155-V157 VanDerWaalsContact C-N 3.26Å; D155-V157 PolarHBondContact O-N 2.94Å; V157-F162 HydrophobicContact CG1-CB 3.84Å; V157-F162 PolarHBondContact O-N 3.14Å; V157-M163 HydrophobicContact CG1-CB 4.21Å; V157-M163 PolarHBondContact O-N 3.26Å
158V98.6Very high98.4Very high12 Ų1257.7 Ų57.77%0.07329%0.29CS..Hα-helixtrans-71.6-47.8176172.30000111.6I154 D155 H156 A160 G161 M163 R165 R168I154-V158 WeakPolarHBondContact O-CG2 3.47Å; I154-V158 PolarHBondContact O-N 2.96Å; D155-V158 WeakPolarHBondContact O-CA 3.36Å; D155-V158 WeakPolarHBondContact O-CB 3.37Å; D155-V158 PolarHBondContact O-N 3.32Å; H156-V158 VanDerWaalsContact C-N 3.3Å; V158-A160 VanDerWaalsContact C-N 3.27Å; V158-A160 PolarHBondContact O-N 3.47Å; V158-G161 PolarHBondContact O-N 3.43Å; V158-M163 VanDerWaalsContact CA-O 3.23Å; V158-M163 WeakPolarHBondContact CA-O 3.28Å; V158-M163 WeakPolarHBondContact CG1-O 3.46Å; V158-M163 HydrophobicContact CG2-CB 3.86Å; V158-M163 HydrophobicContact CG2-CG 4Å; V158-M163 HydrophobicContact CG2-SD 3.99Å; V158-R165 HydrophobicContact CG1-CG 3.96Å; V158-R168 HydrophobicContact CG2-CB 4Å; V158-R168 HydrophobicContact CG2-CG 4.43Å
159E98.3Very high98.4Very high132 Ų13258.9 Ų58.962%0.61730%0.295SS*.Hα-helixtrans-64.1-33.6179.9-72.4169.1-169.100112.3D155 G161 R165D155-E159 WeakPolarHBondContact O-CG 3.19Å; D155-E159 PolarHBondContact O-N 2.87Å; E159-G161 PolarHBondContact O-N 3.42Å; E159-R165 IonicContact OE1-NH2 2.83Å; E159-R165 PolarHBondContact OE1-NH2 2.91Å
160A97.9Very high98.4Very high47 Ų4759.5 Ų59.539%0.38830%0.297SS..THydrogen-bonded Turntrans-73.1-5.117300000114.1F151 H156 V158 F162F151-A160 HydrophobicContact CD1-CB 4.39Å; F151-A160 HydrophobicContact CE1-CB 3.63Å; F151-A160 HydrophobicContact CZ-CB 4.49Å; H156-A160 WeakPolarHBondContact O-CB 3.5Å; H156-A160 PolarHBondContact O-N 3.29Å; V158-A160 VanDerWaalsContact C-N 3.27Å; V158-A160 PolarHBondContact O-N 3.47Å; A160-F162 HydrophobicContact CB-CD2 3.82Å; A160-F162 HydrophobicContact CB-CE2 3.99Å
161G97.9Very high98.3Very high42 Ų4255.9 Ų55.943%0.43328%0.284SS..THydrogen-bonded Turntrans84.86.5174.100000115.8V158 E159V158-G161 PolarHBondContact O-N 3.43Å; E159-G161 PolarHBondContact O-N 3.42Å
162F98.5Very high98.2Very high8 Ų860.2 Ų60.24%0.03530%0.304CS..SBendtrans-75.5-33.2174.4-66.8-78.5000112.1R130 L134 V137 F151 V157 A160 I311 F315R130-F162 WeakPolarHBondContact CD-O 3.46Å; R130-F162 VanDerWaalsContact CG-O 3.27Å; R130-F162 WeakPolarHBondContact CG-O 3.4Å; R130-F162 PolarHBondContact NH1-O 3.35Å; L134-F162 HydrophobicContact CD1-CB 4.02Å; V137-F162 HydrophobicContact CG2-CD1 3.83Å; V137-F162 HydrophobicContact CG2-CD2 4.3Å; V137-F162 HydrophobicContact CG2-CE1 3.78Å; V137-F162 HydrophobicContact CG2-CE2 4.27Å; V137-F162 HydrophobicContact CG2-CG 4.1Å; V137-F162 HydrophobicContact CG2-CZ 4.02Å; F151-F162 HydrophobicContact CE1-CD2 4.48Å; F151-F162 HydrophobicContact CE1-CE2 4.2Å; F151-F162 HydrophobicContact CZ-CD2 4.4Å; F151-F162 AromaticContact CZ-CE2 3.79Å; F151-F162 HydrophobicContact CZ-CE2 3.79Å; V157-F162 HydrophobicContact CG1-CB 3.84Å; V157-F162 PolarHBondContact O-N 3.14Å; A160-F162 HydrophobicContact CB-CD2 3.82Å; A160-F162 HydrophobicContact CB-CE2 3.99Å; F162-I311 HydrophobicContact CE1-CG2 4.05Å; F162-I311 HydrophobicContact CE2-CG2 4.31Å; F162-I311 HydrophobicContact CZ-CG2 3.5Å; F162-F315 AromaticContact CD1-CD2 3.8Å; F162-F315 HydrophobicContact CD1-CD2 3.8Å; F162-F315 AromaticContact CD1-CE2 3.8Å; F162-F315 HydrophobicContact CD1-CE2 3.8Å; F162-F315 HydrophobicContact CD1-CG 4.35Å; F162-F315 HydrophobicContact CD1-CZ 4.36Å; F162-F315 HydrophobicContact CE1-CB 3.99Å; F162-F315 HydrophobicContact CE1-CD1 4.24Å; F162-F315 AromaticContact CE1-CD2 3.5Å; F162-F315 HydrophobicContact CE1-CD2 3.5Å; F162-F315 VanDerWaalsContact CE1-CD2 3.5Å; F162-F315 AromaticContact CE1-CE2 3.95Å; F162-F315 HydrophobicContact CE1-CE2 3.95Å; F162-F315 AromaticContact CE1-CG 3.65Å; F162-F315 HydrophobicContact CE1-CG 3.65Å; F162-F315 HydrophobicContact CE1-CZ 4.49Å; F162-F315 HydrophobicContact CZ-CG 4.35Å
163M98.6Very high98.2Very high2 Ų263.7 Ų63.71%0.0132%0.32CS..SBendtrans-125.2138.9179.8-172.3-174.5-74.800110.1L134 I154 V157 V158 E167 R168 F171L134-M163 HydrophobicContact CD1-CB 3.95Å; L134-M163 HydrophobicContact CD1-CE 3.99Å; L134-M163 HydrophobicContact CD2-CB 4.12Å; L134-M163 HydrophobicContact CD2-CE 3.9Å; L134-M163 HydrophobicContact CD2-CG 4.19Å; L134-M163 HydrophobicContact CG-CE 4.39Å; I154-M163 HydrophobicContact CG2-CE 4.25Å; I154-M163 HydrophobicContact CG2-SD 3.85Å; V157-M163 HydrophobicContact CG1-CB 4.21Å; V157-M163 PolarHBondContact O-N 3.26Å; V158-M163 VanDerWaalsContact CA-O 3.23Å; V158-M163 WeakPolarHBondContact CA-O 3.28Å; V158-M163 WeakPolarHBondContact CG1-O 3.46Å; V158-M163 HydrophobicContact CG2-CB 3.86Å; V158-M163 HydrophobicContact CG2-CG 4Å; V158-M163 HydrophobicContact CG2-SD 3.99Å; M163-E167 HydrophobicContact CG-CB 3.83Å; M163-R168 HydrophobicContact CG-CB 4.5Å; M163-R168 VanDerWaalsContact SD-CA 3.55Å; M163-R168 HydrophobicContact SD-CB 3.72Å; M163-R168 HydrophobicContact SD-CG 4.31Å; M163-F171 HydrophobicContact CE-CB 4.36Å; M163-F171 HydrophobicContact CE-CD1 4.39Å; M163-F171 HydrophobicContact CE-CD2 4.07Å; M163-F171 HydrophobicContact CE-CE2 4.42Å; M163-F171 HydrophobicContact CE-CG 4.04Å
164T98.6Very high98.1Very high61 Ų6164.1 Ų64.137%0.37432%0.32SS..  trans-84.3162.3172.565.70000111.2E166 E167 R168T164-E166 VanDerWaalsContact C-N 3.3Å; T164-E166 PolarHBondContact O-N 3.43Å; T164-E167 PolarHBondContact N-OE2 2.97Å; T164-E167 PolarHBondContact O-N 3.28Å; T164-E167 WeakPolarHBondContact OG1-CB 3.26Å; T164-E167 VanDerWaalsContact OG1-CG 3.23Å; T164-E167 WeakPolarHBondContact OG1-CG 3.02Å; T164-E167 PolarHBondContact OG1-N 2.9Å; T164-E167 PolarHBondContact OG1-OE2 2.9Å; T164-R168 PolarHBondContact O-N 3.04Å
165R98.2Very high98Very high123 Ų12370.8 Ų70.846%0.46436%0.356SS..Hα-helixtrans-61.3-37.2177.4-65.6-78173.8-167.3-3.9112.3D155 V158 E159 R168 K169D155-R165 IonicContact OD1-CZ 2.72Å; D155-R165 IonicContact OD1-NH1 2.69Å; D155-R165 PolarHBondContact OD1-NH1 3.17Å; V158-R165 HydrophobicContact CG1-CG 3.96Å; E159-R165 IonicContact OE1-NH2 2.83Å; E159-R165 PolarHBondContact OE1-NH2 2.91Å; R165-R168 WeakPolarHBondContact O-CB 3.41Å; R165-R168 PolarHBondContact O-N 2.92Å; R165-K169 PolarHBondContact O-N 2.84Å; R165-K169 VanDerWaalsContact O-N 3.14Å
166E98.1Very high97.9Very high127 Ų12770.5 Ų70.559%0.59336%0.357SS*.Hα-helixtrans-69.4-38.9176.4-67.3-54.1132.700112.8T164 R168 K169 K170T164-E166 VanDerWaalsContact C-N 3.3Å; T164-E166 PolarHBondContact O-N 3.43Å; E166-R168 VanDerWaalsContact C-N 3.32Å; E166-K169 PolarHBondContact O-N 2.88Å; E166-K170 PolarHBondContact O-N 3.48Å
167E98.6Very high97.8Very high18 Ų1872.1 Ų72.18%0.08438%0.378CS..Hα-helixtrans-65.9-37.3174-75.9159176.800111.8R130 Y131 M163 T164 K169 K170 F171 W187R130-E167 IonicContact CZ-OE1 3.4Å; R130-E167 IonicContact CZ-OE2 3.55Å; R130-E167 IonicContact NH1-OE1 2.69Å; R130-E167 PolarHBondContact NH1-OE1 3.45Å; R130-E167 IonicContact NH1-OE2 2.71Å; R130-E167 PolarHBondContact NH1-OE2 3.37Å; R130-E167 IonicContact NH2-OE1 3.55Å; R130-E167 PolarHBondContact NH2-OE1 3.49Å; R130-E167 IonicContact NH2-OE2 3.48Å; R130-E167 PolarHBondContact NH2-OE2 2.94Å; Y131-E167 VanDerWaalsContact CE1-OE1 3.29Å; Y131-E167 WeakPolarHBondContact CE1-OE1 3.45Å; Y131-E167 PolarHBondContact OH-OE1 3.2Å; M163-E167 HydrophobicContact CG-CB 3.83Å; T164-E167 PolarHBondContact N-OE2 2.97Å; T164-E167 PolarHBondContact O-N 3.28Å; T164-E167 WeakPolarHBondContact OG1-CB 3.26Å; T164-E167 VanDerWaalsContact OG1-CG 3.23Å; T164-E167 WeakPolarHBondContact OG1-CG 3.02Å; T164-E167 PolarHBondContact OG1-N 2.9Å; T164-E167 PolarHBondContact OG1-OE2 2.9Å; E167-K169 VanDerWaalsContact C-N 3.34Å; E167-K169 PolarHBondContact O-N 3.37Å; E167-K170 CarbonylContact O-C 3.58Å; E167-K170 PolarHBondContact O-N 2.73Å; E167-F171 VanDerWaalsContact O-CB 3.25Å; E167-F171 WeakPolarHBondContact O-CB 3.11Å; E167-F171 PolarHBondContact O-N 3.15Å; E167-W187 HydrophobicContact CB-CH2 4.06Å; E167-W187 HydrophobicContact CB-CZ3 3.99Å; E167-W187 HydrophobicContact CG-CZ3 4.16Å; E167-W187 WeakPolarHBondContact O-CH2 3.25Å
168R98.2Very high97.8Very high52 Ų5280.6 Ų80.620%0.19641%0.411CS..Hα-helixtrans-58.9-47.2172.8-178.7-171.6172.6179.410.6111.3I154 D155 V158 M163 T164 R165 E166 K170 F171 E172I154-R168 HydrophobicContact CG2-CG 4.06Å; D155-R168 IonicContact OD1-CZ 3.34Å; D155-R168 IonicContact OD1-NH1 3.63Å; D155-R168 PolarHBondContact OD1-NH1 3.44Å; D155-R168 IonicContact OD1-NH2 3.45Å; D155-R168 IonicContact OD2-CZ 3.41Å; D155-R168 IonicContact OD2-NH1 2.64Å; D155-R168 PolarHBondContact OD2-NH1 3.4Å; D155-R168 IonicContact OD2-NH2 2.67Å; D155-R168 PolarHBondContact OD2-NH2 3.3Å; V158-R168 HydrophobicContact CG2-CB 4Å; V158-R168 HydrophobicContact CG2-CG 4.43Å; M163-R168 HydrophobicContact CG-CB 4.5Å; M163-R168 VanDerWaalsContact SD-CA 3.55Å; M163-R168 HydrophobicContact SD-CB 3.72Å; M163-R168 HydrophobicContact SD-CG 4.31Å; T164-R168 PolarHBondContact O-N 3.04Å; R165-R168 WeakPolarHBondContact O-CB 3.41Å; R165-R168 PolarHBondContact O-N 2.92Å; E166-R168 VanDerWaalsContact C-N 3.32Å; R168-K170 VanDerWaalsContact C-N 3.28Å; R168-K170 PolarHBondContact O-N 3.36Å; R168-F171 WeakPolarHBondContact O-CA 3.5Å; R168-F171 WeakPolarHBondContact O-CB 3.36Å; R168-F171 PolarHBondContact O-N 3.21Å; R168-E172 HydrophobicContact CG-CG 4.25Å; R168-E172 IonicContact CZ-OE1 2.96Å; R168-E172 IonicContact NE-OE1 2.97Å; R168-E172 PolarHBondContact NE-OE1 3.27Å; R168-E172 IonicContact NE-OE2 3.97Å; R168-E172 IonicContact NH2-OE1 2.71Å; R168-E172 PolarHBondContact NH2-OE1 2.89Å; R168-E172 PolarHBondContact O-N 2.92Å
169K98Very high97.7Very high126 Ų12682.7 Ų82.755%0.54842%0.422SS..Hα-helixtrans-56.4-45.2176.6-175.7179.3178.7-1790111.1R165 E166 E167 N173R165-K169 PolarHBondContact O-N 2.84Å; R165-K169 VanDerWaalsContact O-N 3.14Å; E166-K169 PolarHBondContact O-N 2.88Å; E167-K169 VanDerWaalsContact C-N 3.34Å; E167-K169 PolarHBondContact O-N 3.37Å; K169-N173 WeakPolarHBondContact O-CB 3.38Å; K169-N173 PolarHBondContact O-N 3.24Å; K169-N173 VanDerWaalsContact O-N 3.13Å; K169-N173 PolarHBondContact O-ND2 3.39Å; K169-N173 PolarHBondContact O-OD1 3.17Å
170K97.6Very high97.7Very high140 Ų14078.1 Ų78.161%0.60940%0.4SS*.Hα-helixtrans-63-41.3173.9-70.6-177.8179.1-179.80112.4E166 E167 R168 L174 W187E166-K170 PolarHBondContact O-N 3.48Å; E167-K170 CarbonylContact O-C 3.58Å; E167-K170 PolarHBondContact O-N 2.73Å; R168-K170 VanDerWaalsContact C-N 3.28Å; R168-K170 PolarHBondContact O-N 3.36Å; K170-L174 WeakPolarHBondContact O-CG 3.37Å; K170-L174 PolarHBondContact O-N 3.32Å; K170-W187 HydrophobicContact CB-CZ2 4.18Å
171F98.3Very high97.8Very high13 Ų1377.2 Ų77.26%0.05739%0.387CS..Hα-helixtrans-64.1-43-179.3-174.4-98000112.2L138 I154 M163 E167 R168 K180 V183 W187L138-F171 HydrophobicContact CD1-CE2 3.88Å; L138-F171 HydrophobicContact CD1-CZ 4.12Å; I154-F171 HydrophobicContact CD1-CE1 4.3Å; I154-F171 HydrophobicContact CG1-CE1 4.48Å; M163-F171 HydrophobicContact CE-CB 4.36Å; M163-F171 HydrophobicContact CE-CD1 4.39Å; M163-F171 HydrophobicContact CE-CD2 4.07Å; M163-F171 HydrophobicContact CE-CE2 4.42Å; M163-F171 HydrophobicContact CE-CG 4.04Å; E167-F171 VanDerWaalsContact O-CB 3.25Å; E167-F171 WeakPolarHBondContact O-CB 3.11Å; E167-F171 PolarHBondContact O-N 3.15Å; R168-F171 WeakPolarHBondContact O-CA 3.5Å; R168-F171 WeakPolarHBondContact O-CB 3.36Å; R168-F171 PolarHBondContact O-N 3.21Å; F171-K180 HydrophobicContact CE1-CB 4.25Å; F171-K180 HydrophobicContact CE2-CB 3.54Å; F171-K180 HydrophobicContact CZ-CB 3.36Å; F171-K180 HydrophobicContact CZ-CD 4.37Å; F171-K180 HydrophobicContact CZ-CG 4.43Å; F171-K180 PolarHBondContact O-NZ 3.43Å; F171-V183 HydrophobicContact CD2-CB 4.14Å; F171-V183 HydrophobicContact CD2-CG1 3.94Å; F171-V183 HydrophobicContact CE2-CB 4.06Å; F171-V183 HydrophobicContact CE2-CG1 4.37Å; F171-V183 HydrophobicContact CE2-CG2 4.35Å; F171-W187 HydrophobicContact CB-CH2 3.98Å; F171-W187 HydrophobicContact CB-CZ2 4.39Å; F171-W187 HydrophobicContact CD2-CH2 4.19Å
172E96.5Very high97.8Very high95 Ų9580 Ų8044%0.44438%0.384SS..Hα-helixtrans-72.8-37-179.6-72.1178.7170.200111.9R168 L174R168-E172 HydrophobicContact CG-CG 4.25Å; R168-E172 IonicContact CZ-OE1 2.96Å; R168-E172 IonicContact NE-OE1 2.97Å; R168-E172 PolarHBondContact NE-OE1 3.27Å; R168-E172 IonicContact NE-OE2 3.97Å; R168-E172 IonicContact NH2-OE1 2.71Å; R168-E172 PolarHBondContact NH2-OE1 2.89Å; R168-E172 PolarHBondContact O-N 2.92Å; E172-L174 PolarHBondContact O-N 3.36Å
173N97.5Very high97.8Very high123 Ų12379.8 Ų79.866%0.65838%0.383SS*.Hα-helixtrans-68.4-13.7177.7-69.7-10.4000114.1K169 N175K169-N173 WeakPolarHBondContact O-CB 3.38Å; K169-N173 PolarHBondContact O-N 3.24Å; K169-N173 VanDerWaalsContact O-N 3.13Å; K169-N173 PolarHBondContact O-ND2 3.39Å; K169-N173 PolarHBondContact O-OD1 3.17Å; N173-N175 PolarHBondContact O-N 2.81Å
174L96.8Very high97.8Very high71 Ų7179.7 Ų79.737%0.37238%0.383SS..SBendtrans-73.5108.5171.8-68.2171000109.9K170 E172 S176 K180 V183K170-L174 WeakPolarHBondContact O-CG 3.37Å; K170-L174 PolarHBondContact O-N 3.32Å; E172-L174 PolarHBondContact O-N 3.36Å; L174-S176 PolarHBondContact O-N 3.11Å; L174-K180 HydrophobicContact CB-CD 4.45Å; L174-K180 PolarHBondContact O-NZ 3Å; L174-V183 HydrophobicContact CD1-CB 4.42Å; L174-V183 HydrophobicContact CD1-CG1 3.61Å; L174-V183 HydrophobicContact CD1-CG2 3.86Å
175N96.7Very high97.8Very high171 Ų17177 Ų7791%0.91437%0.366SS*.  trans-71.696.9176.9-171.620.5000110.6N173N173-N175 PolarHBondContact O-N 2.81Å
176S96.4Very high97.8Very high40 Ų4074.6 Ų74.628%0.2837%0.365SS..  trans-150.6130.2173.4-171.10000109.1L174 Y178L174-S176 PolarHBondContact O-N 3.11Å; S176-Y178 VanDerWaalsContact C-N 3.28Å; S176-Y178 PolarHBondContact OG-N 3.45Å
177S96.4Very high97.9Very high112 Ų11270.6 Ų70.678%0.78335%0.345SS*.SBendtrans-79.2-12.7174.152.90000113
178Y97.5Very high97.9Very high178 Ų17869.7 Ų69.770%0.69834%0.341SS*.SBendtrans-86.7164.1-177.8-57.6-75.2000112.1S176 K180S176-Y178 VanDerWaalsContact C-N 3.28Å; S176-Y178 PolarHBondContact OG-N 3.45Å; Y178-K180 PolarHBondContact O-N 2.97Å
179N97.7Very high97.9Very high56 Ų5669.2 Ų69.230%0.29935%0.345SS..  trans-60.2129.8174-170.3-34.6000110.5S142 Y181 W182 F225S142-N179 PolarHBondContact OG-ND2 2.87Å; N179-Y181 HydrophobicContact CB-CD1 4.27Å; N179-Y181 PolarHBondContact OD1-N 3.19Å; N179-W182 PolarHBondContact O-NE1 3.49Å; N179-F225 HydrophobicContact CB-CE2 4.31Å
180K98.4Very high97.9Very high36 Ų3666.6 Ų66.616%0.15734%0.343CS..  trans-97.920.6-172.7-70.6-170.9-76.9-169.50114.2F171 L174 Y178 W182 V183F171-K180 HydrophobicContact CE1-CB 4.25Å; F171-K180 HydrophobicContact CE2-CB 3.54Å; F171-K180 HydrophobicContact CZ-CB 3.36Å; F171-K180 HydrophobicContact CZ-CD 4.37Å; F171-K180 HydrophobicContact CZ-CG 4.43Å; F171-K180 PolarHBondContact O-NZ 3.43Å; L174-K180 HydrophobicContact CB-CD 4.45Å; L174-K180 PolarHBondContact O-NZ 3Å; Y178-K180 PolarHBondContact O-N 2.97Å; K180-W182 PolarHBondContact O-N 3Å; K180-W182 VanDerWaalsContact O-N 3.1Å; K180-V183 HydrophobicContact CB-CG2 3.8Å; K180-V183 HydrophobicContact CD-CG2 4.36Å; K180-V183 HydrophobicContact CG-CG2 4.15Å; K180-V183 WeakPolarHBondContact O-CB 3.25Å; K180-V183 PolarHBondContact O-N 3.09Å; K180-V183 VanDerWaalsContact O-N 3.08Å
181Y98.4Very high98Very high28 Ų2861.2 Ų61.211%0.1132%0.32CS..THydrogen-bonded Turntrans-56.8-25.3175.676.1-91.9000113.6S135 I139 N179 P184 C221 F225S135-Y181 PolarHBondContact OG-O 3.17Å; S135-Y181 VanDerWaalsContact OG-O 3.04Å; I139-Y181 HydrophobicContact CB-CD2 4.23Å; I139-Y181 HydrophobicContact CB-CG 4.21Å; I139-Y181 HydrophobicContact CD1-CD1 4.14Å; I139-Y181 HydrophobicContact CD1-CD2 4.47Å; I139-Y181 HydrophobicContact CD1-CE1 4.37Å; I139-Y181 HydrophobicContact CD1-CG 4.2Å; N179-Y181 HydrophobicContact CB-CD1 4.27Å; N179-Y181 PolarHBondContact OD1-N 3.19Å; Y181-P184 WeakPolarHBondContact O-CD 3.03Å; Y181-C221 HydrophobicContact CD2-CB 4.1Å; Y181-C221 HydrophobicContact CE2-CB 3.95Å; Y181-F225 HydrophobicContact CE1-CB 4.42Å; Y181-F225 HydrophobicContact CE1-CD2 4.19Å; Y181-F225 HydrophobicContact CE1-CG 4.26Å
182W98.5Very high98Very high101 Ų10160.6 Ų60.638%0.38332%0.318SS..THydrogen-bonded Turntrans-76.5-17.5179.358.5-93.1000114.2N179 K180 C185 V186N179-W182 PolarHBondContact O-NE1 3.49Å; K180-W182 PolarHBondContact O-N 3Å; K180-W182 VanDerWaalsContact O-N 3.1Å; W182-C185 WeakPolarHBondContact O-CB 3.33Å; W182-C185 PolarHBondContact O-N 3.14Å; W182-C185 VanDerWaalsContact O-N 3.11Å; W182-V186 HydrophobicContact CE3-CG2 3.76Å; W182-V186 HydrophobicContact CZ3-CG2 3.96Å; W182-V186 PolarHBondContact O-N 3.1Å
183V98.8Very high98.1Very high2 Ų257.6 Ų57.61%0.01231%0.309CS..Hα-helixtrans-59.5-47.3-173.7168.90000112.5F171 L174 K180 C185 V186 W187F171-V183 HydrophobicContact CD2-CB 4.14Å; F171-V183 HydrophobicContact CD2-CG1 3.94Å; F171-V183 HydrophobicContact CE2-CB 4.06Å; F171-V183 HydrophobicContact CE2-CG1 4.37Å; F171-V183 HydrophobicContact CE2-CG2 4.35Å; L174-V183 HydrophobicContact CD1-CB 4.42Å; L174-V183 HydrophobicContact CD1-CG1 3.61Å; L174-V183 HydrophobicContact CD1-CG2 3.86Å; K180-V183 HydrophobicContact CB-CG2 3.8Å; K180-V183 HydrophobicContact CD-CG2 4.36Å; K180-V183 HydrophobicContact CG-CG2 4.15Å; K180-V183 WeakPolarHBondContact O-CB 3.25Å; K180-V183 PolarHBondContact O-N 3.09Å; K180-V183 VanDerWaalsContact O-N 3.08Å; V183-C185 PolarHBondContact O-N 3.39Å; V183-V186 WeakPolarHBondContact O-CB 3.46Å; V183-V186 PolarHBondContact O-N 3.07Å; V183-W187 HydrophobicContact CG1-CD2 3.96Å; V183-W187 HydrophobicContact CG1-CE3 4.47Å; V183-W187 HydrophobicContact CG1-CH2 3.99Å; V183-W187 HydrophobicContact CG1-CZ2 3.39Å; V183-W187 HydrophobicContact CG1-CZ3 4.48Å; V183-W187 PolarHBondContact O-N 3.14Å
184P98.8Very high98.2Very high0 Ų054.9 Ų54.90%029%0.293CS..Hα-helixtrans-62.7-28.1176.6-22.134000113.7Y131 L134 L138 Y181 V186 W187 F188Y131-P184 VanDerWaalsContact O-CB 3.23Å; Y131-P184 WeakPolarHBondContact O-CB 3.27Å; L134-P184 HydrophobicContact CB-CB 4.3Å; L134-P184 HydrophobicContact CB-CG 4.21Å; L134-P184 HydrophobicContact CD2-CB 4.2Å; L134-P184 HydrophobicContact CD2-CG 3.74Å; L134-P184 HydrophobicContact CG-CB 4.28Å; L134-P184 HydrophobicContact CG-CG 3.7Å; L138-P184 HydrophobicContact CD1-CG 3.86Å; Y181-P184 WeakPolarHBondContact O-CD 3.03Å; P184-V186 VanDerWaalsContact C-N 3.32Å; P184-W187 HydrophobicContact CB-CE3 4.35Å; P184-W187 PolarHBondContact O-N 3.35Å; P184-F188 WeakPolarHBondContact O-CB 3.34Å; P184-F188 PolarHBondContact O-N 3.48Å
185C98.8Very high98.3Very high5 Ų551.5 Ų51.53%0.03428%0.275CS..Hα-helixtrans-65.7-37.4173.8-60.10000111.2S135 W182 V183 F188 S189 R218S135-C185 PolarHBondContact OG-SG 3.16Å; W182-C185 WeakPolarHBondContact O-CB 3.33Å; W182-C185 PolarHBondContact O-N 3.14Å; W182-C185 VanDerWaalsContact O-N 3.11Å; V183-C185 PolarHBondContact O-N 3.39Å; C185-F188 WeakPolarHBondContact O-CB 3.38Å; C185-F188 PolarHBondContact O-N 3.42Å; C185-S189 PolarHBondContact O-N 3.05Å; C185-S189 VanDerWaalsContact O-N 3.13Å; C185-S189 PolarHBondContact O-OG 2.71Å; C185-R218 HydrophobicContact CB-CG 4.45Å
186V98.8Very high98.3Very high73 Ų7347 Ų4744%0.44225%0.245SC..Hα-helixtrans-67.8-43.2174.4178.50000110.6W182 V183 P184 F188 S189 S190W182-V186 HydrophobicContact CE3-CG2 3.76Å; W182-V186 HydrophobicContact CZ3-CG2 3.96Å; W182-V186 PolarHBondContact O-N 3.1Å; V183-V186 WeakPolarHBondContact O-CB 3.46Å; V183-V186 PolarHBondContact O-N 3.07Å; P184-V186 VanDerWaalsContact C-N 3.32Å; V186-F188 VanDerWaalsContact C-N 3.29Å; V186-F188 PolarHBondContact O-N 2.8Å; V186-S189 PolarHBondContact O-N 3.34Å; V186-S190 PolarHBondContact O-N 3.19Å; V186-S190 PolarHBondContact O-OG 3.45Å
187W98.9Very high98.4Very high42 Ų4253.8 Ų53.816%0.15927%0.265CS..Hα-helixtrans-59.8-38.7174.8-62.8-16.8000112.6Y131 L134 E167 K170 F171 V183 P184 S190 L191Y131-W187 HydrophobicContact CD1-CE3 4.07Å; Y131-W187 HydrophobicContact CD2-CB 3.85Å; Y131-W187 HydrophobicContact CE1-CB 4.36Å; Y131-W187 AromaticContact CE1-CE3 3.73Å; Y131-W187 HydrophobicContact CE1-CE3 3.73Å; Y131-W187 HydrophobicContact CE1-CZ3 4.43Å; Y131-W187 HydrophobicContact CE2-CB 3.61Å; Y131-W187 HydrophobicContact CG-CB 4.32Å; L134-W187 HydrophobicContact CD2-CZ3 4.23Å; E167-W187 HydrophobicContact CB-CH2 4.06Å; E167-W187 HydrophobicContact CB-CZ3 3.99Å; E167-W187 HydrophobicContact CG-CZ3 4.16Å; E167-W187 WeakPolarHBondContact O-CH2 3.25Å; K170-W187 HydrophobicContact CB-CZ2 4.18Å; F171-W187 HydrophobicContact CB-CH2 3.98Å; F171-W187 HydrophobicContact CB-CZ2 4.39Å; F171-W187 HydrophobicContact CD2-CH2 4.19Å; V183-W187 HydrophobicContact CG1-CD2 3.96Å; V183-W187 HydrophobicContact CG1-CE3 4.47Å; V183-W187 HydrophobicContact CG1-CH2 3.99Å; V183-W187 HydrophobicContact CG1-CZ2 3.39Å; V183-W187 HydrophobicContact CG1-CZ3 4.48Å; V183-W187 PolarHBondContact O-N 3.14Å; P184-W187 HydrophobicContact CB-CE3 4.35Å; P184-W187 PolarHBondContact O-N 3.35Å; W187-S190 PolarHBondContact O-N 2.8Å; W187-L191 VanDerWaalsContact O-CB 3.26Å; W187-L191 WeakPolarHBondContact O-CB 3.33Å; W187-L191 PolarHBondContact O-N 3.01Å
188F98.9Very high98.5Very high0 Ų051.9 Ų51.90%024%0.243CC..Hα-helixtrans-57.8-53.6172.7-172.4-68.4000111L106 V110 L128 Y131 P184 C185 V186 S190 L191 A192 L214L106-F188 HydrophobicContact CD1-CE1 4.49Å; L106-F188 HydrophobicContact CD1-CE2 4.46Å; L106-F188 HydrophobicContact CD1-CZ 3.86Å; L106-F188 HydrophobicContact CD2-CE2 3.73Å; L106-F188 HydrophobicContact CD2-CZ 3.98Å; L106-F188 HydrophobicContact CG-CE2 4.23Å; L106-F188 HydrophobicContact CG-CZ 4.07Å; V110-F188 HydrophobicContact CG2-CZ 4.06Å; L128-F188 HydrophobicContact CB-CD2 4.1Å; L128-F188 HydrophobicContact CB-CE2 3.64Å; L128-F188 HydrophobicContact CB-CZ 4.12Å; L128-F188 HydrophobicContact CD2-CD1 3.86Å; L128-F188 HydrophobicContact CD2-CD2 3.83Å; L128-F188 HydrophobicContact CD2-CE1 3.91Å; L128-F188 HydrophobicContact CD2-CE2 3.86Å; L128-F188 HydrophobicContact CD2-CG 3.83Å; L128-F188 HydrophobicContact CD2-CZ 3.9Å; L128-F188 HydrophobicContact CG-CE2 4.32Å; L128-F188 HydrophobicContact CG-CZ 4.46Å; L128-F188 WeakPolarHBondContact O-CD2 3.37Å; L128-F188 VanDerWaalsContact O-CE2 3.26Å; L128-F188 WeakPolarHBondContact O-CE2 3.41Å; Y131-F188 HydrophobicContact CD2-CB 4.35Å; P184-F188 WeakPolarHBondContact O-CB 3.34Å; P184-F188 PolarHBondContact O-N 3.48Å; C185-F188 WeakPolarHBondContact O-CB 3.38Å; C185-F188 PolarHBondContact O-N 3.42Å; V186-F188 VanDerWaalsContact C-N 3.29Å; V186-F188 PolarHBondContact O-N 2.8Å; F188-S190 VanDerWaalsContact C-N 3.31Å; F188-S190 PolarHBondContact O-N 3.41Å; F188-L191 PolarHBondContact O-N 3.16Å; F188-L191 VanDerWaalsContact O-N 3.15Å; F188-A192 HydrophobicContact CD1-CB 4.45Å; F188-A192 HydrophobicContact CE1-CB 4.42Å; F188-A192 WeakPolarHBondContact O-CB 3.06Å; F188-A192 PolarHBondContact O-N 3.3Å; F188-L214 HydrophobicContact CB-CD1 4.06Å; F188-L214 HydrophobicContact CB-CD2 4Å; F188-L214 HydrophobicContact CD1-CB 4.4Å; F188-L214 HydrophobicContact CD1-CD1 3.94Å; F188-L214 HydrophobicContact CD1-CD2 3.55Å; F188-L214 HydrophobicContact CD1-CG 4.16Å; F188-L214 HydrophobicContact CD2-CD1 4.03Å; F188-L214 HydrophobicContact CE1-CB 4.35Å; F188-L214 HydrophobicContact CE1-CD1 4.37Å; F188-L214 HydrophobicContact CE1-CD2 4.27Å; F188-L214 HydrophobicContact CE2-CD1 4.46Å; F188-L214 HydrophobicContact CG-CD1 3.76Å; F188-L214 HydrophobicContact CG-CD2 3.96Å; F188-L214 HydrophobicContact CG-CG 4.42Å
189S98.8Very high98.5Very high41 Ų4145.6 Ų45.629%0.28723%0.233SC..Hα-helixtrans-58.4-43.2-179.6-61.90000112.1C185 V186 A192 A193 L214C185-S189 PolarHBondContact O-N 3.05Å; C185-S189 VanDerWaalsContact O-N 3.13Å; C185-S189 PolarHBondContact O-OG 2.71Å; V186-S189 PolarHBondContact O-N 3.34Å; S189-A192 PolarHBondContact O-N 2.98Å; S189-A193 WeakPolarHBondContact O-CB 3.35Å; S189-A193 PolarHBondContact O-N 2.83Å; S189-L214 WeakPolarHBondContact OG-CD2 3.4Å
190S98.7Very high98.5Very high72 Ų7245.1 Ų45.150%0.50323%0.227SC..Hα-helixtrans-64.7-41176.5-60.70000112.5V186 W187 F188 A193 Q194V186-S190 PolarHBondContact O-N 3.19Å; V186-S190 PolarHBondContact O-OG 3.45Å; W187-S190 PolarHBondContact O-N 2.8Å; F188-S190 VanDerWaalsContact C-N 3.31Å; F188-S190 PolarHBondContact O-N 3.41Å; S190-A193 PolarHBondContact O-N 3.33Å; S190-Q194 WeakPolarHBondContact O-CB 3.48Å; S190-Q194 PolarHBondContact O-N 3.01Å
191L98.8Very high98.5Very high26 Ų2643.4 Ų43.414%0.13622%0.219CC..Hα-helixtrans-69.2-39.2178.9-172.666.6000111.7Y124 T127 L128 Y131 W187 F188 Q194 A195Y124-L191 HydrophobicContact CD1-CD1 3.86Å; Y124-L191 HydrophobicContact CD1-CD2 4.41Å; Y124-L191 HydrophobicContact CD1-CG 3.95Å; Y124-L191 HydrophobicContact CE1-CD1 3.52Å; Y124-L191 HydrophobicContact CE1-CG 4.02Å; T127-L191 HydrophobicContact CG2-CD2 3.58Å; L128-L191 HydrophobicContact CD2-CB 4.02Å; L128-L191 HydrophobicContact CD2-CD2 3.89Å; L128-L191 HydrophobicContact CD2-CG 4.09Å; L128-L191 HydrophobicContact CG-CD2 3.96Å; L128-L191 HydrophobicContact CG-CG 4.44Å; Y131-L191 HydrophobicContact CD2-CD2 4.26Å; Y131-L191 HydrophobicContact CE2-CB 4.26Å; Y131-L191 HydrophobicContact CE2-CD2 3.8Å; W187-L191 VanDerWaalsContact O-CB 3.26Å; W187-L191 WeakPolarHBondContact O-CB 3.33Å; W187-L191 PolarHBondContact O-N 3.01Å; F188-L191 PolarHBondContact O-N 3.16Å; F188-L191 VanDerWaalsContact O-N 3.15Å; L191-Q194 PolarHBondContact O-N 3.41Å; L191-A195 WeakPolarHBondContact O-CB 3.4Å; L191-A195 PolarHBondContact O-N 3.42Å
192A98.7Very high98.3Very high0 Ų049.7 Ų49.70%024%0.243CC..Hα-helixtrans-63.3-43.8173.700000111.2L128 F188 S189 Q194 A195 R196 I201 L207L128-A192 HydrophobicContact CD2-CB 4.3Å; F188-A192 HydrophobicContact CD1-CB 4.45Å; F188-A192 HydrophobicContact CE1-CB 4.42Å; F188-A192 WeakPolarHBondContact O-CB 3.06Å; F188-A192 PolarHBondContact O-N 3.3Å; S189-A192 PolarHBondContact O-N 2.98Å; A192-Q194 VanDerWaalsContact C-N 3.31Å; A192-Q194 PolarHBondContact O-N 3.22Å; A192-A195 PolarHBondContact O-N 2.89Å; A192-R196 PolarHBondContact O-N 3.26Å; A192-I201 HydrophobicContact CB-CD1 4.47Å; A192-I201 WeakPolarHBondContact O-CD1 3.4Å; A192-L207 HydrophobicContact CB-CD1 3.77Å
193A98.4Very high98.2Very high32 Ų3249.7 Ų49.726%0.26425%0.25SS..Hα-helixtrans-62.2-37.7174.100000112.3S189 S190 R196 R197S189-A193 WeakPolarHBondContact O-CB 3.35Å; S189-A193 PolarHBondContact O-N 2.83Å; S190-A193 PolarHBondContact O-N 3.33Å; A193-R196 PolarHBondContact O-N 3.39Å; A193-R197 WeakPolarHBondContact O-CG 3.36Å; A193-R197 PolarHBondContact O-N 2.99Å; A193-R197 VanDerWaalsContact O-N 3.12Å
194Q98.6Very high98Very high67 Ų6754.9 Ų54.931%0.31328%0.278SS..Hα-helixtrans-65.6-47173.7-177.2179.2-23.600112Y124 S190 L191 A192 R196 R197 E198Y124-Q194 PolarHBondContact OH-NE2 2.84Å; S190-Q194 WeakPolarHBondContact O-CB 3.48Å; S190-Q194 PolarHBondContact O-N 3.01Å; L191-Q194 PolarHBondContact O-N 3.41Å; A192-Q194 VanDerWaalsContact C-N 3.31Å; A192-Q194 PolarHBondContact O-N 3.22Å; Q194-R196 PolarHBondContact O-N 3.12Å; Q194-R197 PolarHBondContact O-N 2.94Å; Q194-E198 HydrophobicContact CG-CG 4.49Å; Q194-E198 PolarHBondContact NE2-OE1 2.89Å; Q194-E198 PolarHBondContact O-N 2.87Å
195A98.5Very high98Very high0 Ų059.4 Ų59.40%031%0.31CS..Hα-helixtrans-57.2-37.4176.500000111.7Y124 L191 A192 E198 G199 R200 I201Y124-A195 HydrophobicContact CD1-CB 3.85Å; Y124-A195 HydrophobicContact CE1-CB 3.78Å; Y124-A195 HydrophobicContact CG-CB 4.39Å; L191-A195 WeakPolarHBondContact O-CB 3.4Å; L191-A195 PolarHBondContact O-N 3.42Å; A192-A195 PolarHBondContact O-N 2.89Å; A195-E198 PolarHBondContact O-N 2.75Å; A195-G199 PolarHBondContact O-N 2.88Å; A195-R200 HydrophobicContact CB-CB 4.12Å; A195-R200 WeakPolarHBondContact O-CA 3.5Å; A195-R200 WeakPolarHBondContact O-CB 3.48Å; A195-R200 PolarHBondContact O-N 3.15Å; A195-I201 HydrophobicContact CB-CD1 3.93Å; A195-I201 HydrophobicContact CB-CG1 4.15Å; A195-I201 PolarHBondContact O-N 2.93Å
196R98.3Very high97.9Very high75 Ų7560 Ų6028%0.28332%0.315SS..Hα-helixtrans-64.6-44.4173175.862.2-174.293.5-4.4113.1A192 A193 Q194 E198 G199 I201 N204 L207A192-R196 PolarHBondContact O-N 3.26Å; A193-R196 PolarHBondContact O-N 3.39Å; Q194-R196 PolarHBondContact O-N 3.12Å; R196-E198 VanDerWaalsContact C-N 3.29Å; R196-E198 PolarHBondContact O-N 2.72Å; R196-G199 PolarHBondContact O-N 3.39Å; R196-I201 HydrophobicContact CB-CB 4.19Å; R196-I201 HydrophobicContact CB-CD1 4.41Å; R196-I201 VanDerWaalsContact CD-O 3.23Å; R196-I201 WeakPolarHBondContact CD-O 3.23Å; R196-N204 PolarHBondContact NE-OD1 3.38Å; R196-N204 PolarHBondContact NH2-OD1 2.93Å; R196-L207 HydrophobicContact CB-CD2 4.01Å; R196-L207 HydrophobicContact CG-CD2 3.95Å
197R98.1Very high97.9Very high184 Ų18458 Ų5869%0.69430%0.301SS*.Hα-helixtrans-64.3-34.9176.4-70.9-168.9-53.6-910.4112.3A193 Q194 G199A193-R197 WeakPolarHBondContact O-CG 3.36Å; A193-R197 PolarHBondContact O-N 2.99Å; A193-R197 VanDerWaalsContact O-N 3.12Å; Q194-R197 PolarHBondContact O-N 2.94Å; R197-G199 PolarHBondContact O-N 3.41Å
198E97.6Very high97.9Very high71 Ų7162 Ų6233%0.33232%0.32SS..THydrogen-bonded Turntrans-81.15176.6-67.3-176.8-162.800113.5R120 Y124 Q194 A195 R196 R200R120-E198 IonicContact CZ-OE1 2.87Å; R120-E198 IonicContact CZ-OE2 2.8Å; R120-E198 VanDerWaalsContact CZ-OE2 3.28Å; R120-E198 IonicContact NE-OE2 3.77Å; R120-E198 PolarHBondContact NE-OE2 3.02Å; R120-E198 IonicContact NH2-OE1 2.85Å; R120-E198 PolarHBondContact NH2-OE1 3.18Å; R120-E198 IonicContact NH2-OE2 3.52Å; R120-E198 PolarHBondContact NH2-OE2 3.42Å; Y124-E198 WeakPolarHBondContact CE2-OE2 3.28Å; Y124-E198 PolarHBondContact OH-OE1 3.48Å; Y124-E198 PolarHBondContact OH-OE2 3.43Å; Q194-E198 HydrophobicContact CG-CG 4.49Å; Q194-E198 PolarHBondContact NE2-OE1 2.89Å; Q194-E198 PolarHBondContact O-N 2.87Å; A195-E198 PolarHBondContact O-N 2.75Å; R196-E198 VanDerWaalsContact C-N 3.29Å; R196-E198 PolarHBondContact O-N 2.72Å; E198-R200 HydrophobicContact CB-CG 4.33Å; E198-R200 PolarHBondContact O-N 3.11Å
199G97.5Very high97.8Very high46 Ų4665.4 Ų65.447%0.47434%0.338SS..THydrogen-bonded Turntrans72.311.2177.900000115.1A195 R196 R197A195-G199 PolarHBondContact O-N 2.88Å; R196-G199 PolarHBondContact O-N 3.39Å; R197-G199 PolarHBondContact O-N 3.41Å
200R97.9Very high97.8Very high47 Ų4763.5 Ų63.518%0.17732%0.324CS..SBendtrans-73.9-32.8175.2-58.6-62.4-178.7155.70.8112H115 D118 Y124 A195 E198H115-R200 PolarHBondContact CD2-O 3.36Å; H115-R200 PolarHBondContact N-O 3.06Å; H115-R200 VanDerWaalsContact O-CD 3.32Å; H115-R200 WeakPolarHBondContact O-CD 3.35Å; D118-R200 IonicContact OD1-CZ 2.8Å; D118-R200 IonicContact OD1-NH1 3.42Å; D118-R200 PolarHBondContact OD1-NH1 3.45Å; D118-R200 IonicContact OD1-NH2 3.21Å; D118-R200 IonicContact OD2-CZ 2.73Å; D118-R200 IonicContact OD2-NH1 3.88Å; D118-R200 PolarHBondContact OD2-NH1 3.21Å; D118-R200 IonicContact OD2-NH2 3.01Å; D118-R200 PolarHBondContact OD2-NH2 3.28Å; Y124-R200 HydrophobicContact CD2-CG 4.04Å; Y124-R200 HydrophobicContact CE2-CG 3.96Å; A195-R200 HydrophobicContact CB-CB 4.12Å; A195-R200 WeakPolarHBondContact O-CA 3.5Å; A195-R200 WeakPolarHBondContact O-CB 3.48Å; A195-R200 PolarHBondContact O-N 3.15Å; E198-R200 HydrophobicContact CB-CG 4.33Å; E198-R200 PolarHBondContact O-N 3.11Å
201I98.4Very high97.8Very high0 Ų062.6 Ų62.60%031%0.314CS..SBendtrans-101.6122.9165.8-57.8166.1000106.6V114 A192 A195 R196 A206 L207 L210V114-I201 HydrophobicContact CG2-CD1 4.31Å; V114-I201 HydrophobicContact CG2-CG1 4.02Å; A192-I201 HydrophobicContact CB-CD1 4.47Å; A192-I201 WeakPolarHBondContact O-CD1 3.4Å; A195-I201 HydrophobicContact CB-CD1 3.93Å; A195-I201 HydrophobicContact CB-CG1 4.15Å; A195-I201 PolarHBondContact O-N 2.93Å; R196-I201 HydrophobicContact CB-CB 4.19Å; R196-I201 HydrophobicContact CB-CD1 4.41Å; R196-I201 VanDerWaalsContact CD-O 3.23Å; R196-I201 WeakPolarHBondContact CD-O 3.23Å; I201-A206 HydrophobicContact CG2-CB 3.81Å; I201-L207 HydrophobicContact CD1-CD1 4.19Å; I201-L207 HydrophobicContact CG2-CB 4.3Å; I201-L210 HydrophobicContact CD1-CD1 3.66Å; I201-L210 HydrophobicContact CG1-CD1 4.4Å
202R95.4Very high97.8Very high159 Ų15966 Ų6660%0.633%0.329SS*.  trans-77.4-48.1-171.3-65.2172.7-174.8167.52.9111.9H115H115-R202 PolarHBondContact CD2-NE 2.72Å
203D94.8Very high97.8Very high101 Ų10169 Ų6954%0.5434%0.343SS..  trans-113.3152.3-168.7-53.9-50.7000113S205 A206 L207D203-S205 VanDerWaalsContact C-N 3.3Å; D203-S205 PolarHBondContact O-N 3.37Å; D203-A206 HydrophobicContact CB-CB 4.34Å; D203-A206 WeakPolarHBondContact O-CB 3.35Å; D203-A206 PolarHBondContact O-N 2.99Å; D203-L207 PolarHBondContact O-N 2.66Å
204N96.4Very high97.8Very high111 Ų11167.5 Ų67.559%0.59433%0.331SS*.Hα-helixtrans-67.6-33.8175.9-67.2-10.8000111.8R196 A206 L207 K208R196-N204 PolarHBondContact NE-OD1 3.38Å; R196-N204 PolarHBondContact NH2-OD1 2.93Å; N204-A206 VanDerWaalsContact C-N 3.29Å; N204-A206 PolarHBondContact O-N 3.49Å; N204-L207 PolarHBondContact O-N 3.06Å; N204-K208 WeakPolarHBondContact O-CB 3.27Å; N204-K208 PolarHBondContact O-N 3.13Å
205S97.5Very high97.8Very high96 Ų9668.3 Ų68.367%0.67134%0.337SS*.Hα-helixtrans-62.6-37175-52.20000111.8D203 K208 L209D203-S205 VanDerWaalsContact C-N 3.3Å; D203-S205 PolarHBondContact O-N 3.37Å; S205-K208 WeakPolarHBondContact O-CB 3.41Å; S205-K208 PolarHBondContact O-N 2.85Å; S205-L209 PolarHBondContact O-N 3.21Å
206A97.4Very high97.8Very high17 Ų1770.6 Ų70.614%0.1436%0.356CS..Hα-helixtrans-67.4-41.7176.500000112T113 I201 D203 N204 L209 L210T113-A206 HydrophobicContact CG2-CB 3.66Å; I201-A206 HydrophobicContact CG2-CB 3.81Å; D203-A206 HydrophobicContact CB-CB 4.34Å; D203-A206 WeakPolarHBondContact O-CB 3.35Å; D203-A206 PolarHBondContact O-N 2.99Å; N204-A206 VanDerWaalsContact C-N 3.29Å; N204-A206 PolarHBondContact O-N 3.49Å; A206-L209 PolarHBondContact O-N 3.49Å; A206-L210 PolarHBondContact O-N 3.02Å; A206-L210 VanDerWaalsContact O-N 3.16Å
207L98.3Very high97.8Very high30 Ų3067.5 Ų67.516%0.15734%0.344CS..Hα-helixtrans-63.2-42172.1176.962.8000111.6A192 R196 I201 D203 N204 L210 L211A192-L207 HydrophobicContact CB-CD1 3.77Å; R196-L207 HydrophobicContact CB-CD2 4.01Å; R196-L207 HydrophobicContact CG-CD2 3.95Å; I201-L207 HydrophobicContact CD1-CD1 4.19Å; I201-L207 HydrophobicContact CG2-CB 4.3Å; D203-L207 PolarHBondContact O-N 2.66Å; N204-L207 PolarHBondContact O-N 3.06Å; L207-L210 PolarHBondContact O-N 3.4Å; L207-L211 HydrophobicContact CD1-CD1 4.35Å; L207-L211 HydrophobicContact CD1-CG 4.32Å; L207-L211 HydrophobicContact CG-CD1 4.29Å; L207-L211 WeakPolarHBondContact O-CG 3.43Å; L207-L211 PolarHBondContact O-N 2.98Å; L207-L211 VanDerWaalsContact O-N 3.13Å
208K98.3Very high97.8Very high126 Ų12663.6 Ų63.655%0.54833%0.33SS..Hα-helixtrans-58.4-48.7176.9179.4-177.8166.2-174.40111N204 S205 L210 L211 E212N204-K208 WeakPolarHBondContact O-CB 3.27Å; N204-K208 PolarHBondContact O-N 3.13Å; S205-K208 WeakPolarHBondContact O-CB 3.41Å; S205-K208 PolarHBondContact O-N 2.85Å; K208-L210 VanDerWaalsContact C-N 3.34Å; K208-L210 PolarHBondContact O-N 2.78Å; K208-L211 PolarHBondContact O-N 3.47Å; K208-L211 VanDerWaalsContact O-N 3.12Å; K208-E212 WeakPolarHBondContact CE-OE1 3.48Å; K208-E212 HydrophobicContact CG-CG 4.36Å; K208-E212 IonicContact NZ-OE1 3.61Å; K208-E212 WeakPolarHBondContact O-CG 3.31Å; K208-E212 PolarHBondContact O-N 3.29Å
209L98.4Very high97.9Very high73 Ų7363 Ų6338%0.38233%0.334SS..Hα-helixtrans-55.3-46.9177177.764000111.9A109 S205 A206 L211 E212 E213A109-L209 HydrophobicContact CB-CG 4.44Å; S205-L209 PolarHBondContact O-N 3.21Å; A206-L209 PolarHBondContact O-N 3.49Å; L209-L211 VanDerWaalsContact C-N 3.31Å; L209-L211 PolarHBondContact O-N 3.1Å; L209-E212 PolarHBondContact O-N 2.87Å; L209-E213 HydrophobicContact CD1-CG 4.24Å; L209-E213 WeakPolarHBondContact O-CG 3.33Å; L209-E213 PolarHBondContact O-N 3.16Å
210L98.2Very high97.9Very high0 Ų064.6 Ų64.60%033%0.328CS..Hα-helixtrans-58.4-41.8177.1-77.8174.1000112.8A109 V110 T113 V114 I201 A206 L207 K208 L214A109-L210 HydrophobicContact CB-CD2 3.83Å; V110-L210 HydrophobicContact CB-CD2 4.37Å; V110-L210 HydrophobicContact CG2-CD2 3.6Å; T113-L210 WeakPolarHBondContact OG1-CD1 3.24Å; V114-L210 HydrophobicContact CG2-CD1 4.06Å; I201-L210 HydrophobicContact CD1-CD1 3.66Å; I201-L210 HydrophobicContact CG1-CD1 4.4Å; A206-L210 PolarHBondContact O-N 3.02Å; A206-L210 VanDerWaalsContact O-N 3.16Å; L207-L210 PolarHBondContact O-N 3.4Å; K208-L210 VanDerWaalsContact C-N 3.34Å; K208-L210 PolarHBondContact O-N 2.78Å; L210-L214 VanDerWaalsContact O-CB 3.29Å; L210-L214 WeakPolarHBondContact O-CB 3.48Å; L210-L214 PolarHBondContact O-N 3.03Å
211L98.5Very high98Very high53 Ų5362.4 Ų62.428%0.27732%0.319SS..Hα-helixtrans-74.1-33.1179.9-65178.6000112.3L207 K208 L209 L214 N215L207-L211 HydrophobicContact CD1-CD1 4.35Å; L207-L211 HydrophobicContact CD1-CG 4.32Å; L207-L211 HydrophobicContact CG-CD1 4.29Å; L207-L211 WeakPolarHBondContact O-CG 3.43Å; L207-L211 PolarHBondContact O-N 2.98Å; L207-L211 VanDerWaalsContact O-N 3.13Å; K208-L211 PolarHBondContact O-N 3.47Å; K208-L211 VanDerWaalsContact O-N 3.12Å; L209-L211 VanDerWaalsContact C-N 3.31Å; L209-L211 PolarHBondContact O-N 3.1Å; L211-L214 HydrophobicContact CD2-CD2 4.49Å; L211-N215 WeakPolarHBondContact O-CB 3.4Å; L211-N215 VanDerWaalsContact O-CG 3.32Å; L211-N215 PolarHBondContact O-N 3.16Å; L211-N215 PolarHBondContact O-ND2 3.48Å
212E98.6Very high97.9Very high98 Ų9862.7 Ų62.746%0.45832%0.322SS..Hα-helixtrans-64.2-49.8173.4-75176.8156.900110.9K208 L209 L214 N215 A216K208-E212 WeakPolarHBondContact CE-OE1 3.48Å; K208-E212 HydrophobicContact CG-CG 4.36Å; K208-E212 IonicContact NZ-OE1 3.61Å; K208-E212 WeakPolarHBondContact O-CG 3.31Å; K208-E212 PolarHBondContact O-N 3.29Å; L209-E212 PolarHBondContact O-N 2.87Å; E212-L214 VanDerWaalsContact C-N 3.34Å; E212-L214 PolarHBondContact O-N 3.05Å; E212-N215 PolarHBondContact O-N 3.28Å; E212-N215 VanDerWaalsContact O-N 3.13Å; E212-A216 PolarHBondContact O-N 2.92Å
213E98.5Very high98.1Very high62 Ų6258.3 Ų58.329%0.2931%0.309SS..Hα-helixtrans-63.2-39.1177.1-70.5-55.714300112.2A105 L106 A109 L209 N215 A216 F217A105-E213 VanDerWaalsContact CB-OE2 3.3Å; A105-E213 WeakPolarHBondContact CB-OE2 3.28Å; L106-E213 HydrophobicContact CD1-CB 3.68Å; A109-E213 HydrophobicContact CB-CG 4.35Å; L209-E213 HydrophobicContact CD1-CG 4.24Å; L209-E213 WeakPolarHBondContact O-CG 3.33Å; L209-E213 PolarHBondContact O-N 3.16Å; E213-N215 VanDerWaalsContact C-N 3.34Å; E213-N215 PolarHBondContact O-N 3.16Å; E213-A216 PolarHBondContact O-N 3.05Å; E213-F217 WeakPolarHBondContact O-CB 3.26Å; E213-F217 PolarHBondContact O-N 3.47Å
214L98.7Very high98.3Very high2 Ų253.5 Ų53.51%0.0128%0.284CS..Hα-helixtrans-62.6-41.3173.5179.772.7000111.7L106 F188 S189 L210 L211 E212 F217 R218L106-L214 HydrophobicContact CD1-CB 4.32Å; L106-L214 HydrophobicContact CD2-CD1 4.29Å; F188-L214 HydrophobicContact CB-CD1 4.06Å; F188-L214 HydrophobicContact CB-CD2 4Å; F188-L214 HydrophobicContact CD1-CB 4.4Å; F188-L214 HydrophobicContact CD1-CD1 3.94Å; F188-L214 HydrophobicContact CD1-CD2 3.55Å; F188-L214 HydrophobicContact CD1-CG 4.16Å; F188-L214 HydrophobicContact CD2-CD1 4.03Å; F188-L214 HydrophobicContact CE1-CB 4.35Å; F188-L214 HydrophobicContact CE1-CD1 4.37Å; F188-L214 HydrophobicContact CE1-CD2 4.27Å; F188-L214 HydrophobicContact CE2-CD1 4.46Å; F188-L214 HydrophobicContact CG-CD1 3.76Å; F188-L214 HydrophobicContact CG-CD2 3.96Å; F188-L214 HydrophobicContact CG-CG 4.42Å; S189-L214 WeakPolarHBondContact OG-CD2 3.4Å; L210-L214 VanDerWaalsContact O-CB 3.29Å; L210-L214 WeakPolarHBondContact O-CB 3.48Å; L210-L214 PolarHBondContact O-N 3.03Å; L211-L214 HydrophobicContact CD2-CD2 4.49Å; E212-L214 VanDerWaalsContact C-N 3.34Å; E212-L214 PolarHBondContact O-N 3.05Å; L214-F217 WeakPolarHBondContact O-CB 3.23Å; L214-F217 PolarHBondContact O-N 3.31Å; L214-R218 WeakPolarHBondContact O-CB 3.27Å; L214-R218 PolarHBondContact O-N 3.38Å
215N98.6Very high98.4Very high83 Ų8351.1 Ų51.144%0.44427%0.268SS..Hα-helixtrans-67.7-37.2178.9-82.2-42.3000111.9L211 E212 E213 R218 S219L211-N215 WeakPolarHBondContact O-CB 3.4Å; L211-N215 VanDerWaalsContact O-CG 3.32Å; L211-N215 PolarHBondContact O-N 3.16Å; L211-N215 PolarHBondContact O-ND2 3.48Å; E212-N215 PolarHBondContact O-N 3.28Å; E212-N215 VanDerWaalsContact O-N 3.13Å; E213-N215 VanDerWaalsContact C-N 3.34Å; E213-N215 PolarHBondContact O-N 3.16Å; N215-R218 PolarHBondContact O-N 3.48Å; N215-S219 VanDerWaalsContact O-CB 3.32Å; N215-S219 WeakPolarHBondContact O-CB 3.17Å; N215-S219 PolarHBondContact O-N 3.45Å
216A98.5Very high98.4Very high49 Ų4951.1 Ų51.141%0.40526%0.258SS..Hα-helixtrans-61-45.817100000111.1E212 E213 S219 K220E212-A216 PolarHBondContact O-N 2.92Å; E213-A216 PolarHBondContact O-N 3.05Å; A216-S219 WeakPolarHBondContact O-CB 3.45Å; A216-S219 PolarHBondContact O-N 3.41Å; A216-K220 PolarHBondContact O-N 3.4Å
217F98.7Very high98.5Very high9 Ų952.1 Ų52.14%0.03926%0.258CS..Hα-helixtrans-61.7-45.5175.2-178.5-86.8000112.9P101 L102 A132 A136 E213 L214 S219 K220 C221P101-F217 HydrophobicContact CB-CD2 4.31Å; P101-F217 HydrophobicContact CB-CE1 4.24Å; P101-F217 HydrophobicContact CB-CE2 3.68Å; P101-F217 HydrophobicContact CB-CZ 3.66Å; L102-F217 WeakPolarHBondContact O-CD2 3.43Å; A132-F217 HydrophobicContact CB-CE1 4.19Å; A132-F217 HydrophobicContact CB-CZ 4.15Å; A132-F217 WeakPolarHBondContact O-CE1 3.47Å; A132-F217 VanDerWaalsContact O-CZ 3.29Å; A132-F217 WeakPolarHBondContact O-CZ 3.49Å; A136-F217 HydrophobicContact CB-CZ 3.96Å; E213-F217 WeakPolarHBondContact O-CB 3.26Å; E213-F217 PolarHBondContact O-N 3.47Å; L214-F217 WeakPolarHBondContact O-CB 3.23Å; L214-F217 PolarHBondContact O-N 3.31Å; F217-S219 VanDerWaalsContact C-N 3.32Å; F217-S219 PolarHBondContact O-N 3.1Å; F217-K220 WeakPolarHBondContact O-CB 3.41Å; F217-K220 PolarHBondContact O-N 3.11Å; F217-C221 PolarHBondContact O-N 3.49Å; F217-C221 PolarHBondContact O-SG 2.93Å; F217-C221 VanDerWaalsContact O-SG 3.38Å
218R98.4Very high98.5Very high102 Ų10254 Ų5439%0.38527%0.268SS..Hα-helixtrans-62.8-38.9176.3-175.9-158.863.170.71.7111.3C185 L214 N215 K220 C221 G222C185-R218 HydrophobicContact CB-CG 4.45Å; L214-R218 WeakPolarHBondContact O-CB 3.27Å; L214-R218 PolarHBondContact O-N 3.38Å; N215-R218 PolarHBondContact O-N 3.48Å; R218-K220 VanDerWaalsContact C-N 3.31Å; R218-K220 PolarHBondContact O-N 3.02Å; R218-C221 WeakPolarHBondContact O-CB 3.19Å; R218-C221 PolarHBondContact O-N 3.21Å; R218-G222 PolarHBondContact O-N 3.32Å
219S98.4Very high98.5Very high60 Ų6056.5 Ų56.542%0.4227%0.274SS..Hα-helixtrans-58.9-44.1176.4-171.10000111.1N215 A216 F217 C221 G222 M223N215-S219 VanDerWaalsContact O-CB 3.32Å; N215-S219 WeakPolarHBondContact O-CB 3.17Å; N215-S219 PolarHBondContact O-N 3.45Å; A216-S219 WeakPolarHBondContact O-CB 3.45Å; A216-S219 PolarHBondContact O-N 3.41Å; F217-S219 VanDerWaalsContact C-N 3.32Å; F217-S219 PolarHBondContact O-N 3.1Å; S219-C221 PolarHBondContact O-N 3.13Å; S219-G222 PolarHBondContact O-N 3.39Å; S219-G222 VanDerWaalsContact O-N 3.15Å; S219-M223 WeakPolarHBondContact O-CG 3.39Å; S219-M223 PolarHBondContact O-N 3.17Å
220K98.6Very high98.4Very high79 Ų7957.4 Ų57.434%0.34328%0.279SS..Hα-helixtrans-58.1-45.3173.4-70.7-173-179.7-167.60112.6C99 A216 F217 R218 G222 M223 L224C99-K220 WeakPolarHBondContact O-CB 3.37Å; A216-K220 PolarHBondContact O-N 3.4Å; F217-K220 WeakPolarHBondContact O-CB 3.41Å; F217-K220 PolarHBondContact O-N 3.11Å; R218-K220 VanDerWaalsContact C-N 3.31Å; R218-K220 PolarHBondContact O-N 3.02Å; K220-G222 VanDerWaalsContact C-N 3.35Å; K220-G222 PolarHBondContact O-N 3.05Å; K220-M223 PolarHBondContact O-N 3.27Å; K220-L224 PolarHBondContact O-N 3.46Å; K220-L224 VanDerWaalsContact O-N 3.09Å
221C98.6Very high98.4Very high0 Ų061 Ų610%030%0.304CS..Hα-helixtrans-59.6-44173.9-58.90000112.1I139 Y181 F217 R218 S219 M223 L224 F225I139-C221 HydrophobicContact CB-CB 4.43Å; I139-C221 HydrophobicContact CG1-CB 4.5Å; I139-C221 WeakPolarHBondContact CG1-O 3.44Å; I139-C221 HydrophobicContact CG2-CB 4.02Å; Y181-C221 HydrophobicContact CD2-CB 4.1Å; Y181-C221 HydrophobicContact CE2-CB 3.95Å; F217-C221 PolarHBondContact O-N 3.49Å; F217-C221 PolarHBondContact O-SG 2.93Å; F217-C221 VanDerWaalsContact O-SG 3.38Å; R218-C221 WeakPolarHBondContact O-CB 3.19Å; R218-C221 PolarHBondContact O-N 3.21Å; S219-C221 PolarHBondContact O-N 3.13Å; C221-M223 VanDerWaalsContact C-N 3.35Å; C221-M223 PolarHBondContact O-N 2.8Å; C221-L224 PolarHBondContact O-N 3.11Å; C221-F225 PolarHBondContact O-N 3.17Å
222G98.3Very high98.3Very high6 Ų659 Ų596%0.06229%0.293CS..Hα-helixtrans-63.5-39176.700000112.8R218 S219 K220 L224 F225 H226R218-G222 PolarHBondContact O-N 3.32Å; S219-G222 PolarHBondContact O-N 3.39Å; S219-G222 VanDerWaalsContact O-N 3.15Å; K220-G222 VanDerWaalsContact C-N 3.35Å; K220-G222 PolarHBondContact O-N 3.05Å; G222-L224 VanDerWaalsContact C-N 3.35Å; G222-L224 PolarHBondContact O-N 3.27Å; G222-F225 WeakPolarHBondContact O-CB 3.23Å; G222-F225 PolarHBondContact O-N 2.99Å; G222-H226 PolarHBondContact O-CD2 3.27Å; G222-H226 PolarHBondContact O-N 2.56Å
223M98.5Very high98.3Very high67 Ų6758.2 Ų58.233%0.3330%0.296SS..Hα-helixtrans-64.5-37.6176.1-73.6-56.2-57.100112.6C99 S219 K220 C221 F225 H226 Y227C99-M223 HydrophobicContact CB-CB 4.02Å; C99-M223 WeakPolarHBondContact SG-CB 3.37Å; S219-M223 WeakPolarHBondContact O-CG 3.39Å; S219-M223 PolarHBondContact O-N 3.17Å; K220-M223 PolarHBondContact O-N 3.27Å; C221-M223 VanDerWaalsContact C-N 3.35Å; C221-M223 PolarHBondContact O-N 2.8Å; M223-F225 VanDerWaalsContact C-N 3.34Å; M223-H226 PolarHBondContact O-N 3.21Å; M223-Y227 HydrophobicContact CE-CD2 4.4Å; M223-Y227 HydrophobicContact CE-CE2 3.8Å; M223-Y227 VanDerWaalsContact O-CD2 3.22Å; M223-Y227 WeakPolarHBondContact O-CD2 3.23Å; M223-Y227 PolarHBondContact O-N 2.85Å
224L98.5Very high98.3Very high1 Ų161 Ų611%0.00531%0.312CS..Hα-helixtrans-60.2-44.7171.5-68.8-175.7000111.7C99 P101 I139 L140 K220 C221 G222 H226 Y227 D228 F298C99-L224 HydrophobicContact CB-CD2 3.86Å; C99-L224 HydrophobicContact CB-CG 4.21Å; P101-L224 HydrophobicContact CG-CD1 4.45Å; I139-L224 HydrophobicContact CG1-CB 4.09Å; L140-L224 HydrophobicContact CD2-CD1 4.01Å; K220-L224 PolarHBondContact O-N 3.46Å; K220-L224 VanDerWaalsContact O-N 3.09Å; C221-L224 PolarHBondContact O-N 3.11Å; G222-L224 VanDerWaalsContact C-N 3.35Å; G222-L224 PolarHBondContact O-N 3.27Å; L224-H226 VanDerWaalsContact C-N 3.3Å; L224-H226 PolarHBondContact O-N 2.73Å; L224-Y227 PolarHBondContact O-N 2.96Å; L224-D228 WeakPolarHBondContact O-CB 3.19Å; L224-D228 PolarHBondContact O-N 3.29Å; L224-F298 HydrophobicContact CD2-CE2 4.04Å; L224-F298 HydrophobicContact CD2-CZ 3.56Å
225F98.4Very high98.2Very high60 Ų6065.4 Ų65.426%0.26334%0.339SS..Hα-helixtrans-60-40.2175-170.1-97.5000112.1I139 N179 Y181 C221 G222 M223 W229I139-F225 HydrophobicContact CD1-CB 3.83Å; I139-F225 HydrophobicContact CD1-CD2 4.08Å; I139-F225 HydrophobicContact CD1-CG 4.45Å; N179-F225 HydrophobicContact CB-CE2 4.31Å; Y181-F225 HydrophobicContact CE1-CB 4.42Å; Y181-F225 HydrophobicContact CE1-CD2 4.19Å; Y181-F225 HydrophobicContact CE1-CG 4.26Å; C221-F225 PolarHBondContact O-N 3.17Å; G222-F225 WeakPolarHBondContact O-CB 3.23Å; G222-F225 PolarHBondContact O-N 2.99Å; M223-F225 VanDerWaalsContact C-N 3.34Å; F225-W229 HydrophobicContact CE1-CE3 4.44Å; F225-W229 VanDerWaalsContact O-CB 3.32Å; F225-W229 WeakPolarHBondContact O-CB 3.44Å; F225-W229 PolarHBondContact O-N 3.16Å
226H98.4Very high98.2Very high97 Ų9764.8 Ų64.845%0.44933%0.331SS..Hα-helixtrans-67.8-39177.9-68.4-40.2000113.1G222 M223 L224 I230G222-H226 PolarHBondContact O-CD2 3.27Å; G222-H226 PolarHBondContact O-N 2.56Å; M223-H226 PolarHBondContact O-N 3.21Å; L224-H226 VanDerWaalsContact C-N 3.3Å; L224-H226 PolarHBondContact O-N 2.73Å; H226-I230 WeakPolarHBondContact O-CA 3.4Å; H226-I230 VanDerWaalsContact O-CB 3.31Å; H226-I230 WeakPolarHBondContact O-CB 3.04Å; H226-I230 PolarHBondContact O-N 3.27Å
227Y98.4Very high98.2Very high37 Ų3764 Ų6415%0.14532%0.322CS..Hα-helixtrans-68.1-37.4176.9-81.9-60.6000112.9R92 N95 Q96 M223 L224R92-Y227 HydrophobicContact CB-CE1 4.4Å; R92-Y227 HydrophobicContact CG-CE1 4.18Å; R92-Y227 PolarHBondContact NH2-O 3.48Å; R92-Y227 VanDerWaalsContact NH2-O 3.13Å; N95-Y227 HydrophobicContact CB-CE2 4.2Å; N95-Y227 VanDerWaalsContact CB-OH 3.23Å; N95-Y227 WeakPolarHBondContact CB-OH 3.3Å; Q96-Y227 HydrophobicContact CG-CD1 4Å; Q96-Y227 HydrophobicContact CG-CD2 3.49Å; Q96-Y227 VanDerWaalsContact CG-CD2 3.49Å; Q96-Y227 HydrophobicContact CG-CE2 4.1Å; Q96-Y227 HydrophobicContact CG-CG 3.45Å; Q96-Y227 VanDerWaalsContact CG-CG 3.45Å; M223-Y227 HydrophobicContact CE-CD2 4.4Å; M223-Y227 HydrophobicContact CE-CE2 3.8Å; M223-Y227 VanDerWaalsContact O-CD2 3.22Å; M223-Y227 WeakPolarHBondContact O-CD2 3.23Å; M223-Y227 PolarHBondContact O-N 2.85Å; L224-Y227 PolarHBondContact O-N 2.96Å
228D98.3Very high98.1Very high69 Ų6968.1 Ų68.137%0.36934%0.341SS..Hα-helixtrans-67.2-48.8175.6-177.471.1000111.5V143 L224V143-D228 HydrophobicContact CB-CB 4.11Å; V143-D228 HydrophobicContact CG1-CB 3.59Å; L224-D228 WeakPolarHBondContact O-CB 3.19Å; L224-D228 PolarHBondContact O-N 3.29Å
229W98.1Very high98.1Very high180 Ų18066.9 Ų66.968%0.68234%0.344SS*.Hα-helixtrans-69.9-44.1179.8-176.831.2000112.9F225 S231F225-W229 HydrophobicContact CE1-CE3 4.44Å; F225-W229 VanDerWaalsContact O-CB 3.32Å; F225-W229 WeakPolarHBondContact O-CB 3.44Å; F225-W229 PolarHBondContact O-N 3.16Å; W229-S231 PolarHBondContact O-N 2.92Å
230I98.1Very high98Very high92 Ų9264 Ų6447%0.47232%0.324SS..SBendtrans-102.881.8-177.2-46.9-58.3000109.4R92 H226R92-I230 PolarHBondContact NH1-O 3.45Å; R92-I230 PolarHBondContact NH2-O 3.28Å; H226-I230 WeakPolarHBondContact O-CA 3.4Å; H226-I230 VanDerWaalsContact O-CB 3.31Å; H226-I230 WeakPolarHBondContact O-CB 3.04Å; H226-I230 PolarHBondContact O-N 3.27Å
231S96.3Very high97.9Very high76 Ų7662 Ų6253%0.53132%0.319SS..PPolyproline II helixtrans-68.5170.9172-44.80000112.1W229W229-S231 PolarHBondContact O-N 2.92Å
232I97.3Very high97.8Very high11 Ų1167 Ų676%0.05635%0.345CS..SBendtrans-60136.4168.6-60.9177000108.4Y85 L88 V89 L234 Y236Y85-I232 HydrophobicContact CE2-CD1 4.37Å; Y85-I232 HydrophobicContact CE2-CG2 3.95Å; L88-I232 HydrophobicContact CD2-CD1 4.24Å; L88-I232 HydrophobicContact CD2-CG1 4.37Å; L88-I232 HydrophobicContact CD2-CG2 4.11Å; L88-I232 HydrophobicContact CG-CD1 4.24Å; V89-I232 HydrophobicContact CB-CD1 4.36Å; V89-I232 HydrophobicContact CG2-CD1 3.39Å; I232-L234 PolarHBondContact O-N 2.77Å; I232-Y236 HydrophobicContact CG2-CD1 4.16Å
233P98.4Very high97.6Very high80 Ų8067.8 Ų67.852%0.51935%0.35SS..PPolyproline II helixtrans-50.8127.2-178.7-29.635.7000112.1V235 Y236 T237P233-V235 HydrophobicContact CB-CG1 4.19Å; P233-V235 PolarHBondContact O-N 3.05Å; P233-V235 VanDerWaalsContact O-N 3.16Å; P233-Y236 WeakPolarHBondContact O-CB 3.39Å; P233-Y236 PolarHBondContact O-N 2.93Å; P233-T237 PolarHBondContact O-N 3.5Å
234L98Very high97.5Very high120 Ų12064.6 Ų64.663%0.62834%0.335SS*.Hα-helixtrans-53.1-41.9-175.6176.361.3000112.1I232 Y236 T237 Q238I232-L234 PolarHBondContact O-N 2.77Å; L234-Y236 PolarHBondContact O-N 2.74Å; L234-T237 PolarHBondContact O-N 2.91Å; L234-Q238 HydrophobicContact CD1-CG 4.18Å; L234-Q238 HydrophobicContact CG-CG 4.28Å; L234-Q238 WeakPolarHBondContact O-CG 3.46Å; L234-Q238 PolarHBondContact O-N 3.41Å
235V98.2Very high97.4Very high95 Ų9570.6 Ų70.658%0.57636%0.358SS*.Hα-helixtrans-56.6-35.7177.263.60000112.3P233 Q238 V239P233-V235 HydrophobicContact CB-CG1 4.19Å; P233-V235 PolarHBondContact O-N 3.05Å; P233-V235 VanDerWaalsContact O-N 3.16Å; V235-Q238 PolarHBondContact O-N 3.26Å; V235-V239 HydrophobicContact CG2-CG2 4.45Å; V235-V239 WeakPolarHBondContact O-CB 3.39Å; V235-V239 VanDerWaalsContact O-CG2 3.23Å; V235-V239 WeakPolarHBondContact O-CG2 3.23Å; V235-V239 PolarHBondContact O-N 3.26Å
236Y97.9Very high97.3Very high70 Ų7070.3 Ų70.328%0.27536%0.364SS..Hα-helixtrans-71.7-45.3179.8-166.7-171.2000111Y85 L88 I232 P233 L234 Q238 V239 V240Y85-Y236 HydrophobicContact CD2-CD1 4.08Å; Y85-Y236 HydrophobicContact CD2-CD2 4.2Å; Y85-Y236 HydrophobicContact CD2-CE1 4.08Å; Y85-Y236 HydrophobicContact CD2-CE2 4.18Å; Y85-Y236 HydrophobicContact CD2-CG 4.14Å; Y85-Y236 PolarHBondContact N-OH 2.84Å; L88-Y236 HydrophobicContact CD2-CD1 4.15Å; L88-Y236 HydrophobicContact CD2-CE1 3.88Å; I232-Y236 HydrophobicContact CG2-CD1 4.16Å; P233-Y236 WeakPolarHBondContact O-CB 3.39Å; P233-Y236 PolarHBondContact O-N 2.93Å; L234-Y236 PolarHBondContact O-N 2.74Å; Y236-Q238 VanDerWaalsContact C-N 3.28Å; Y236-Q238 PolarHBondContact O-N 3.46Å; Y236-V239 PolarHBondContact O-N 2.99Å; Y236-V240 HydrophobicContact CD2-CG2 3.94Å; Y236-V240 HydrophobicContact CE2-CG2 3.88Å; Y236-V240 VanDerWaalsContact O-CG2 3.27Å; Y236-V240 WeakPolarHBondContact O-CG2 3.29Å; Y236-V240 PolarHBondContact O-N 3.42Å; Y236-V240 VanDerWaalsContact O-N 3.11Å
237T97.9Very high97.1Very high33 Ų3366.3 Ų66.320%0.20235%0.345CS..Hα-helixtrans-57.3-42.3172.8-58.60000111.4Y85 P233 L234 T241Y85-T237 WeakPolarHBondContact OH-CG2 3.28Å; Y85-T237 PolarHBondContact OH-OG1 3.39Å; P233-T237 PolarHBondContact O-N 3.5Å; L234-T237 PolarHBondContact O-N 2.91Å; T237-T241 WeakPolarHBondContact O-CB 3.5Å; T237-T241 PolarHBondContact O-N 2.76Å; T237-T241 PolarHBondContact O-OG1 3.49Å
238Q98Very high97.1Very high95 Ų9565.2 Ų65.244%0.44434%0.34SS..Hα-helixtrans-64.1-46.6176.9-73.2174.2-23.500112.3L234 V235 Y236 V240 T241 I242L234-Q238 HydrophobicContact CD1-CG 4.18Å; L234-Q238 HydrophobicContact CG-CG 4.28Å; L234-Q238 WeakPolarHBondContact O-CG 3.46Å; L234-Q238 PolarHBondContact O-N 3.41Å; V235-Q238 PolarHBondContact O-N 3.26Å; Y236-Q238 VanDerWaalsContact C-N 3.28Å; Y236-Q238 PolarHBondContact O-N 3.46Å; Q238-V240 VanDerWaalsContact C-N 3.32Å; Q238-V240 PolarHBondContact O-N 3.31Å; Q238-T241 PolarHBondContact O-N 2.92Å; Q238-I242 WeakPolarHBondContact O-CB 3.45Å; Q238-I242 VanDerWaalsContact O-CG1 3.25Å; Q238-I242 WeakPolarHBondContact O-CG1 3.45Å; Q238-I242 PolarHBondContact O-N 3.32Å
239V96.8Very high96.9Very high76 Ų7667 Ų6746%0.46135%0.35SS..Hα-helixtrans-57.9-45.4178.9165.30000111.2V81 V235 Y236 I242 A243V81-V239 HydrophobicContact CG2-CG1 4.45Å; V235-V239 HydrophobicContact CG2-CG2 4.45Å; V235-V239 WeakPolarHBondContact O-CB 3.39Å; V235-V239 VanDerWaalsContact O-CG2 3.23Å; V235-V239 WeakPolarHBondContact O-CG2 3.23Å; V235-V239 PolarHBondContact O-N 3.26Å; Y236-V239 PolarHBondContact O-N 2.99Å; V239-I242 PolarHBondContact O-N 2.71Å; V239-A243 WeakPolarHBondContact O-CB 3.37Å; V239-A243 PolarHBondContact O-N 3.4Å
240V97Very high96.8Very high0 Ų059 Ų590%032%0.322CS..Hα-helixtrans-64.7-45.1179179.50000110.4V81 L82 Y85 Y236 Q238 I242 A243 V244 L288V81-V240 HydrophobicContact CG2-CG2 3.79Å; L82-V240 HydrophobicContact CG-CG1 4.44Å; Y85-V240 HydrophobicContact CD1-CB 4.31Å; Y85-V240 HydrophobicContact CD1-CG1 3.92Å; Y85-V240 HydrophobicContact CD1-CG2 4.05Å; Y85-V240 HydrophobicContact CD2-CG2 3.75Å; Y85-V240 HydrophobicContact CE1-CG1 4.47Å; Y85-V240 HydrophobicContact CE2-CG2 4.41Å; Y85-V240 HydrophobicContact CG-CB 4.29Å; Y85-V240 HydrophobicContact CG-CG1 4.22Å; Y85-V240 HydrophobicContact CG-CG2 3.53Å; Y236-V240 HydrophobicContact CD2-CG2 3.94Å; Y236-V240 HydrophobicContact CE2-CG2 3.88Å; Y236-V240 VanDerWaalsContact O-CG2 3.27Å; Y236-V240 WeakPolarHBondContact O-CG2 3.29Å; Y236-V240 PolarHBondContact O-N 3.42Å; Y236-V240 VanDerWaalsContact O-N 3.11Å; Q238-V240 VanDerWaalsContact C-N 3.32Å; Q238-V240 PolarHBondContact O-N 3.31Å; V240-I242 PolarHBondContact O-N 3.18Å; V240-A243 PolarHBondContact O-N 3.32Å; V240-V244 WeakPolarHBondContact O-CG2 3.47Å; V240-V244 PolarHBondContact O-N 3.38Å; V240-L288 HydrophobicContact CG1-CD1 4.04Å
241T97.2Very high96.7Very high36 Ų3654.7 Ų54.722%0.22130%0.3CS..Hα-helixtrans-61.5-46.1178.9-54.70000111.3T237 Q238 A243 V244 Y245T237-T241 WeakPolarHBondContact O-CB 3.5Å; T237-T241 PolarHBondContact O-N 2.76Å; T237-T241 PolarHBondContact O-OG1 3.49Å; Q238-T241 PolarHBondContact O-N 2.92Å; T241-A243 VanDerWaalsContact C-N 3.33Å; T241-A243 PolarHBondContact O-N 3.02Å; T241-V244 PolarHBondContact O-N 3.02Å; T241-Y245 HydrophobicContact CG2-CD2 3.74Å; T241-Y245 HydrophobicContact CG2-CE1 4.42Å; T241-Y245 HydrophobicContact CG2-CE2 3.52Å; T241-Y245 HydrophobicContact CG2-CG 4.29Å; T241-Y245 WeakPolarHBondContact O-CB 3.25Å; T241-Y245 PolarHBondContact O-N 2.94Å
242I95.9Very high96.8Very high107 Ų10752.3 Ų52.355%0.54928%0.281SS..Hα-helixtrans-61-43.3177.1-71166.4000110.5Q238 V239 V240 V244 S246Q238-I242 WeakPolarHBondContact O-CB 3.45Å; Q238-I242 VanDerWaalsContact O-CG1 3.25Å; Q238-I242 WeakPolarHBondContact O-CG1 3.45Å; Q238-I242 PolarHBondContact O-N 3.32Å; V239-I242 PolarHBondContact O-N 2.71Å; V240-I242 PolarHBondContact O-N 3.18Å; I242-V244 PolarHBondContact O-N 3.49Å; I242-S246 WeakPolarHBondContact O-CB 3.41Å; I242-S246 PolarHBondContact O-N 3.45Å; I242-S246 PolarHBondContact O-OG 3.19Å
243A94.8Very high96.8Very high21 Ų2153.4 Ų53.417%0.17429%0.286CS..Hα-helixtrans-60.9-46.4179.100000111.8V81 V239 V240 T241 Y247V81-A243 HydrophobicContact CG1-CB 4.07Å; V239-A243 WeakPolarHBondContact O-CB 3.37Å; V239-A243 PolarHBondContact O-N 3.4Å; V240-A243 PolarHBondContact O-N 3.32Å; T241-A243 VanDerWaalsContact C-N 3.33Å; T241-A243 PolarHBondContact O-N 3.02Å; A243-Y247 WeakPolarHBondContact O-CB 3.46Å; A243-Y247 PolarHBondContact O-N 3.25Å; A243-Y247 VanDerWaalsContact O-N 3.08Å
244V96.2Very high96.7Very high1 Ų149.6 Ų49.61%0.00626%0.262CS..Hα-helixtrans-66.8-46.5179177.60000111.5V78 L82 V240 T241 I242 Y247 F248 L288V78-V244 HydrophobicContact CG1-CG2 3.77Å; L82-V244 HydrophobicContact CD1-CG2 3.49Å; L82-V244 VanDerWaalsContact CD1-CG2 3.49Å; V240-V244 WeakPolarHBondContact O-CG2 3.47Å; V240-V244 PolarHBondContact O-N 3.38Å; T241-V244 PolarHBondContact O-N 3.02Å; I242-V244 PolarHBondContact O-N 3.49Å; V244-Y247 WeakPolarHBondContact O-CB 3Å; V244-Y247 PolarHBondContact O-N 3.2Å; V244-F248 HydrophobicContact CG1-CD2 3.77Å; V244-F248 HydrophobicContact CG1-CE2 3.62Å; V244-F248 VanDerWaalsContact O-CD2 3.28Å; V244-F248 WeakPolarHBondContact O-CD2 3.43Å; V244-F248 PolarHBondContact O-N 3.31Å; V244-L288 HydrophobicContact CB-CD2 4.2Å; V244-L288 HydrophobicContact CG1-CD2 4.06Å; V244-L288 HydrophobicContact CG2-CD2 4.3Å
245Y96.4Very high96.6Very high127 Ų12746.4 Ų46.450%0.49824%0.242SC..Hα-helixtrans-71.1-36.1-177.5-71.1-0.9000112.4T241 Y247 F248 L249 L288T241-Y245 HydrophobicContact CG2-CD2 3.74Å; T241-Y245 HydrophobicContact CG2-CE1 4.42Å; T241-Y245 HydrophobicContact CG2-CE2 3.52Å; T241-Y245 HydrophobicContact CG2-CG 4.29Å; T241-Y245 WeakPolarHBondContact O-CB 3.25Å; T241-Y245 PolarHBondContact O-N 2.94Å; Y245-Y247 VanDerWaalsContact C-N 3.33Å; Y245-F248 PolarHBondContact O-N 3.33Å; Y245-L249 WeakPolarHBondContact O-CB 3.27Å; Y245-L249 PolarHBondContact O-N 3.21Å; Y245-L288 HydrophobicContact CE1-CD2 4.24Å
246S94.9Very high96.5Very high54 Ų5442 Ų4238%0.37822%0.215SC..Hα-helixtrans-66.7-37.2174.2-55.90000111.4I242 L249 A250I242-S246 WeakPolarHBondContact O-CB 3.41Å; I242-S246 PolarHBondContact O-N 3.45Å; I242-S246 PolarHBondContact O-OG 3.19Å; S246-L249 PolarHBondContact O-N 2.94Å; S246-A250 PolarHBondContact O-N 3.23Å
247Y96Very high96.4Very high13 Ų1340.4 Ų40.45%0.05121%0.209CC..Hα-helixtrans-60.4-49.2172171.3-97.7000111.5A73 I76 V78 A243 V244 Y245 L249 A250 C251 Q280 Y284A73-Y247 HydrophobicContact CB-CE2 4.43Å; A73-Y247 WeakPolarHBondContact O-CE2 3.46Å; I76-Y247 HydrophobicContact CD1-CD2 4.49Å; V78-Y247 HydrophobicContact CG2-CD2 4.01Å; V78-Y247 HydrophobicContact CG2-CG 3.83Å; A243-Y247 WeakPolarHBondContact O-CB 3.46Å; A243-Y247 PolarHBondContact O-N 3.25Å; A243-Y247 VanDerWaalsContact O-N 3.08Å; V244-Y247 WeakPolarHBondContact O-CB 3Å; V244-Y247 PolarHBondContact O-N 3.2Å; Y245-Y247 VanDerWaalsContact C-N 3.33Å; Y247-L249 VanDerWaalsContact C-N 3.34Å; Y247-L249 PolarHBondContact O-N 3.4Å; Y247-A250 WeakPolarHBondContact O-CB 3.47Å; Y247-A250 PolarHBondContact O-N 3.45Å; Y247-C251 PolarHBondContact O-N 2.92Å; Y247-C251 PolarHBondContact O-SG 3.09Å; Y247-C251 VanDerWaalsContact O-SG 3.37Å; Y247-Q280 PolarHBondContact OH-OE1 3.1Å; Y247-Q280 VanDerWaalsContact OH-OE1 3.13Å; Y247-Y284 HydrophobicContact CD1-CD2 4.43Å; Y247-Y284 AromaticContact CE1-CD2 3.71Å; Y247-Y284 HydrophobicContact CE1-CD2 3.71Å; Y247-Y284 AromaticContact CE1-CE2 3.97Å; Y247-Y284 HydrophobicContact CE1-CE2 3.97Å; Y247-Y284 AromaticContact CZ-CE2 3.93Å
248F96.6Very high96.3Very high13 Ų1339 Ų396%0.05720%0.2CC..Hα-helixtrans-70.4-28.2178.6-74-56.9000113.9F39 V244 Y245 C251 L252 F281 Y284 A285F39-F248 HydrophobicContact CE2-CB 4.3Å; F39-F248 HydrophobicContact CE2-CD1 4.31Å; V244-F248 HydrophobicContact CG1-CD2 3.77Å; V244-F248 HydrophobicContact CG1-CE2 3.62Å; V244-F248 VanDerWaalsContact O-CD2 3.28Å; V244-F248 WeakPolarHBondContact O-CD2 3.43Å; V244-F248 PolarHBondContact O-N 3.31Å; Y245-F248 PolarHBondContact O-N 3.33Å; F248-C251 PolarHBondContact O-N 3.18Å; F248-L252 VanDerWaalsContact O-CB 3.3Å; F248-L252 WeakPolarHBondContact O-CB 3.17Å; F248-L252 PolarHBondContact O-N 2.85Å; F248-F281 AromaticContact CD1-CD2 3.75Å; F248-F281 HydrophobicContact CD1-CD2 3.75Å; F248-F281 HydrophobicContact CD1-CE2 4.44Å; F248-F281 HydrophobicContact CD2-CD2 4.26Å; F248-F281 HydrophobicContact CD2-CE2 4.32Å; F248-F281 HydrophobicContact CE1-CB 3.95Å; F248-F281 AromaticContact CE1-CD2 3.59Å; F248-F281 HydrophobicContact CE1-CD2 3.59Å; F248-F281 HydrophobicContact CE1-CG 4.17Å; F248-F281 HydrophobicContact CE2-CD2 4.1Å; F248-F281 HydrophobicContact CE2-CE2 4.38Å; F248-F281 HydrophobicContact CG-CD2 4.1Å; F248-F281 HydrophobicContact CG-CE2 4.35Å; F248-F281 HydrophobicContact CZ-CB 4.23Å; F248-F281 AromaticContact CZ-CD2 3.77Å; F248-F281 HydrophobicContact CZ-CD2 3.77Å; F248-F281 HydrophobicContact CZ-CE2 4.49Å; F248-F281 HydrophobicContact CZ-CG 4.24Å; F248-Y284 HydrophobicContact CZ-CD2 4.5Å; F248-A285 HydrophobicContact CE2-CB 3.98Å; F248-A285 HydrophobicContact CZ-CB 4.37Å
249L95.9Very high96.1Very high107 Ų10737.1 Ų37.156%0.5619%0.193SC*.Hα-helixtrans-63-45.2169.5179.563.1000110.9Y245 S246 Y247 L252Y245-L249 WeakPolarHBondContact O-CB 3.27Å; Y245-L249 PolarHBondContact O-N 3.21Å; S246-L249 PolarHBondContact O-N 2.94Å; Y247-L249 VanDerWaalsContact C-N 3.34Å; Y247-L249 PolarHBondContact O-N 3.4Å; L249-L252 PolarHBondContact O-N 3.18Å
250A95.9Very high96Very high13 Ų1336.3 Ų36.311%0.10719%0.19CC..Hα-helixtrans-62.8-42.6174.100000111.4A73 S246 Y247 L252 I253 G254A73-A250 HydrophobicContact CB-CB 4.01Å; S246-A250 PolarHBondContact O-N 3.23Å; Y247-A250 WeakPolarHBondContact O-CB 3.47Å; Y247-A250 PolarHBondContact O-N 3.45Å; A250-L252 PolarHBondContact O-N 3.17Å; A250-I253 PolarHBondContact O-N 3.13Å; A250-G254 WeakPolarHBondContact O-CA 3.21Å; A250-G254 PolarHBondContact O-N 3.46Å
251C96.1Very high95.7Very high0 Ų040.3 Ų40.30%022%0.223CC..Hα-helixtrans-66.8-33.7176.7-67.40000113.6Y247 F248 I253 R255 T277Y247-C251 PolarHBondContact O-N 2.92Å; Y247-C251 PolarHBondContact O-SG 3.09Å; Y247-C251 VanDerWaalsContact O-SG 3.37Å; F248-C251 PolarHBondContact O-N 3.18Å; C251-I253 PolarHBondContact O-N 3.47Å; C251-R255 HydrophobicContact CB-CG 4.13Å; C251-R255 VanDerWaalsContact O-CB 3.24Å; C251-R255 WeakPolarHBondContact O-CB 3.25Å; C251-R255 WeakPolarHBondContact O-CG 3.47Å; C251-R255 PolarHBondContact O-N 3.02Å; C251-T277 HydrophobicContact CB-CG2 4.28Å
252L97.4Very high95.5Very high26 Ų2642.2 Ų42.214%0.13623%0.229CC..Hα-helixtrans-58.8-35.9179.9-177.165.3000111.9F39 L42 Y43 F248 L249 A250 Q256F39-L252 HydrophobicContact CD2-CD1 4.35Å; F39-L252 HydrophobicContact CE2-CB 4.23Å; F39-L252 HydrophobicContact CE2-CD1 4.1Å; L42-L252 HydrophobicContact CB-CD1 3.94Å; L42-L252 HydrophobicContact CB-CD2 4.11Å; L42-L252 HydrophobicContact CD1-CD2 4.37Å; Y43-L252 HydrophobicContact CD2-CD1 4.4Å; F248-L252 VanDerWaalsContact O-CB 3.3Å; F248-L252 WeakPolarHBondContact O-CB 3.17Å; F248-L252 PolarHBondContact O-N 2.85Å; L249-L252 PolarHBondContact O-N 3.18Å; A250-L252 PolarHBondContact O-N 3.17Å; L252-Q256 WeakPolarHBondContact O-CG 3.4Å; L252-Q256 PolarHBondContact O-NE2 3.29Å
253I97.1Very high95.2Very high34 Ų3439.9 Ų39.917%0.17423%0.232CC..Hα-helixtrans-94.3-54.3177.9-55.6168.6000109.9L46 F62 L65 V66 C69 A250 C251 R255 Q256L46-I253 HydrophobicContact CD2-CG1 4.09Å; F62-I253 HydrophobicContact CE2-CG2 4.49Å; L65-I253 HydrophobicContact CD2-CG2 4.13Å; L65-I253 HydrophobicContact CG-CG2 4.01Å; V66-I253 HydrophobicContact CG2-CG2 4.22Å; V66-I253 WeakPolarHBondContact CG2-O 3.27Å; C69-I253 HydrophobicContact CB-CB 4.16Å; C69-I253 HydrophobicContact CB-CG2 4.29Å; A250-I253 PolarHBondContact O-N 3.13Å; C251-I253 PolarHBondContact O-N 3.47Å; I253-R255 PolarHBondContact O-N 3.42Å; I253-R255 VanDerWaalsContact O-N 3.14Å; I253-Q256 WeakPolarHBondContact O-CB 3.24Å; I253-Q256 VanDerWaalsContact O-CG 3.23Å; I253-Q256 WeakPolarHBondContact O-CG 3.35Å; I253-Q256 PolarHBondContact O-N 2.8Å; I253-Q256 VanDerWaalsContact O-N 3.13Å
254G95.6Very high95.1Very high0 Ų041.3 Ų41.30%023%0.233CC..Hα-helixtrans-66.3-16.6-172.200000115.5V66 A250V66-G254 WeakPolarHBondContact CG1-O 3.38Å; V66-G254 VanDerWaalsContact O-CA 3.32Å; V66-G254 WeakPolarHBondContact O-CA 3.27Å; A250-G254 WeakPolarHBondContact O-CA 3.21Å; A250-G254 PolarHBondContact O-N 3.46Å
255R95.8Very high94.7Very high54 Ų5449.5 Ų49.520%0.20427%0.268CS..THydrogen-bonded Turntrans-105.418177-54.8-67.3170.167.52.4113.1Y43 D70 C251 I253 T277Y43-R255 WeakPolarHBondContact CE2-O 3.5Å; Y43-R255 PolarHBondContact OH-O 3.22Å; D70-R255 IonicContact OD1-CZ 3.73Å; D70-R255 IonicContact OD1-NE 3.98Å; D70-R255 PolarHBondContact OD1-NE 2.92Å; D70-R255 IonicContact OD1-NH2 2.81Å; D70-R255 PolarHBondContact OD1-NH2 3.32Å; C251-R255 HydrophobicContact CB-CG 4.13Å; C251-R255 VanDerWaalsContact O-CB 3.24Å; C251-R255 WeakPolarHBondContact O-CB 3.25Å; C251-R255 WeakPolarHBondContact O-CG 3.47Å; C251-R255 PolarHBondContact O-N 3.02Å; I253-R255 PolarHBondContact O-N 3.42Å; I253-R255 VanDerWaalsContact O-N 3.14Å; R255-T277 HydrophobicContact CB-CG2 4.26Å; R255-T277 HydrophobicContact CG-CG2 4.2Å
256Q97Very high94.3Very high2 Ų250 Ų501%0.00928%0.28CS..PPolyproline II helixtrans-70136.5172.3-70.3-72.1-20.700110.2Y43 L46 S47 F62 V66 L252 I253 L258Y43-Q256 HydrophobicContact CE2-CG 4.29Å; Y43-Q256 PolarHBondContact O-NE2 3.01Å; Y43-Q256 VanDerWaalsContact O-NE2 3.08Å; L46-Q256 HydrophobicContact CD2-CG 4.05Å; S47-Q256 VanDerWaalsContact CB-OE1 3.31Å; S47-Q256 PolarHBondContact OG-OE1 3.38Å; F62-Q256 HydrophobicContact CE1-CB 4.14Å; F62-Q256 HydrophobicContact CE1-CG 4.37Å; F62-Q256 HydrophobicContact CZ-CB 4.28Å; F62-Q256 HydrophobicContact CZ-CG 4.01Å; V66-Q256 HydrophobicContact CG2-CB 4.11Å; L252-Q256 WeakPolarHBondContact O-CG 3.4Å; L252-Q256 PolarHBondContact O-NE2 3.29Å; I253-Q256 WeakPolarHBondContact O-CB 3.24Å; I253-Q256 VanDerWaalsContact O-CG 3.23Å; I253-Q256 WeakPolarHBondContact O-CG 3.35Å; I253-Q256 PolarHBondContact O-N 2.8Å; I253-Q256 VanDerWaalsContact O-N 3.13Å; Q256-L258 PolarHBondContact O-N 3.29Å
257F96.2Very high94.2Very high36 Ų3649 Ų4916%0.15827%0.269CS..PPolyproline II helixtrans-72.8120173.8-67.1-67.6000109.9Y43 L269 D270 L271 P274Y43-F257 WeakPolarHBondContact OH-CD2 3.15Å; F257-L269 WeakPolarHBondContact CD1-O 3.29Å; F257-D270 HydrophobicContact CB-CB 4.13Å; F257-D270 VanDerWaalsContact CB-OD1 3.25Å; F257-D270 WeakPolarHBondContact CB-OD1 3.38Å; F257-D270 WeakPolarHBondContact CD2-OD1 3.47Å; F257-D270 HydrophobicContact CG-CB 4.49Å; F257-D270 WeakPolarHBondContact CG-OD1 3.49Å; F257-L271 HydrophobicContact CE1-CB 4.4Å; F257-L271 HydrophobicContact CE2-CB 4.01Å; F257-L271 HydrophobicContact CZ-CB 3.73Å; F257-L271 HydrophobicContact CZ-CD1 4.33Å; F257-L271 HydrophobicContact CZ-CG 4.22Å; F257-P274 HydrophobicContact CE2-CB 4.15Å; F257-P274 HydrophobicContact CZ-CB 4.48Å
258L95.4Very high93.9Very high3 Ų353.3 Ų53.32%0.01630%0.297CS..PPolyproline II helixtrans-88165.2178.2-56.4-176.6000110.9E63 V66 Q256 P260 Y264 H267E63-L258 HydrophobicContact CB-CD1 4.19Å; E63-L258 HydrophobicContact CB-CD2 4.38Å; E63-L258 HydrophobicContact CG-CB 4.49Å; E63-L258 HydrophobicContact CG-CD1 4.11Å; E63-L258 HydrophobicContact CG-CD2 3.77Å; E63-L258 HydrophobicContact CG-CG 4.34Å; V66-L258 HydrophobicContact CB-CD1 4.47Å; V66-L258 HydrophobicContact CB-CD2 4.01Å; V66-L258 HydrophobicContact CG1-CD1 4.23Å; V66-L258 HydrophobicContact CG1-CD2 4Å; V66-L258 HydrophobicContact CG1-CG 4.24Å; V66-L258 HydrophobicContact CG2-CD2 3.83Å; Q256-L258 PolarHBondContact O-N 3.29Å; L258-P260 WeakPolarHBondContact O-CD 3.47Å; L258-Y264 HydrophobicContact CD1-CD2 3.97Å; L258-Y264 HydrophobicContact CD1-CG 4.44Å; L258-H267 HydrophobicContact CB-CB 4.36Å; L258-H267 HydrophobicContact CD1-CB 4.34Å
259D94.1Very high93.6Very high56 Ų5657.7 Ų57.730%0.29932%0.321SS..  trans-60.4113.1173.8174.815.8000111.5Y50 A261 Q262Y50-D259 WeakPolarHBondContact OH-CB 3.47Å; Y50-D259 PolarHBondContact OH-N 3.31Å; D259-A261 PolarHBondContact O-N 3.05Å; D259-A261 VanDerWaalsContact O-N 3.16Å; D259-A261 VanDerWaalsContact OD1-CB 3.31Å; D259-A261 WeakPolarHBondContact OD1-CB 3.48Å; D259-A261 PolarHBondContact OD1-N 2.97Å; D259-Q262 HydrophobicContact CB-CG 3.9Å; D259-Q262 WeakPolarHBondContact O-CB 3.33Å; D259-Q262 PolarHBondContact O-N 3.06Å; D259-Q262 VanDerWaalsContact O-N 3.15Å; D259-Q262 PolarHBondContact OD2-NE2 3.46Å
260P93.5Very high93.4Very high59 Ų5955.3 Ų55.338%0.38331%0.308SS..G310 helixtrans-61.3-24.7-179.6-24.736.4000113.7L258 Q262 G263 D270L258-P260 WeakPolarHBondContact O-CD 3.47Å; P260-Q262 PolarHBondContact O-N 3.31Å; P260-G263 PolarHBondContact O-N 3.1Å; P260-D270 HydrophobicContact CG-CB 4.5Å
261A92.6Very high93.2Very high85 Ų8559 Ų5970%0.70233%0.326SS*.G310 helixtrans-66-19.318000000112.9D259 G263D259-A261 PolarHBondContact O-N 3.05Å; D259-A261 VanDerWaalsContact O-N 3.16Å; D259-A261 VanDerWaalsContact OD1-CB 3.31Å; D259-A261 WeakPolarHBondContact OD1-CB 3.48Å; D259-A261 PolarHBondContact OD1-N 2.97Å; A261-G263 VanDerWaalsContact C-N 3.29Å; A261-G263 PolarHBondContact O-N 3.23Å
262Q91.4Very high92.9Very high75 Ų7562.2 Ų62.235%0.3535%0.347SS..G310 helixtrans-78.5-13.5178.7-55.2-57.4-40.200113.5R60 D259 P260 Y264R60-Q262 VanDerWaalsContact NH1-OE1 3.15Å; D259-Q262 HydrophobicContact CB-CG 3.9Å; D259-Q262 WeakPolarHBondContact O-CB 3.33Å; D259-Q262 PolarHBondContact O-N 3.06Å; D259-Q262 VanDerWaalsContact O-N 3.15Å; D259-Q262 PolarHBondContact OD2-NE2 3.46Å; P260-Q262 PolarHBondContact O-N 3.31Å; Q262-Y264 VanDerWaalsContact C-N 3.32Å; Q262-Y264 HydrophobicContact CB-CD2 3.65Å; Q262-Y264 HydrophobicContact CB-CE2 3.48Å; Q262-Y264 VanDerWaalsContact CB-CE2 3.48Å; Q262-Y264 HydrophobicContact CG-CE2 4.07Å; Q262-Y264 PolarHBondContact O-N 3.38Å
263G91Very high92.7Very high58 Ų5863.9 Ų63.960%0.59836%0.359SS*.  trans66.228.9175.200000114.7P260 A261P260-G263 PolarHBondContact O-N 3.1Å; A261-G263 VanDerWaalsContact C-N 3.29Å; A261-G263 PolarHBondContact O-N 3.23Å
264Y92.4Very high92.6Very high52 Ų5262.5 Ų62.520%0.20435%0.352CS..  trans-64.5136.8173.6-70.1-63.7000111.3E63 M67 L258 Q262 D266 H267E63-Y264 HydrophobicContact CB-CE2 3.91Å; E63-Y264 HydrophobicContact CG-CE2 3.92Å; E63-Y264 WeakPolarHBondContact OE2-CE2 3.42Å; E63-Y264 PolarHBondContact OE2-OH 2.83Å; E63-Y264 VanDerWaalsContact OE2-OH 3.09Å; M67-Y264 HydrophobicContact CE-CD1 4.02Å; M67-Y264 HydrophobicContact CE-CE1 3.76Å; M67-Y264 HydrophobicContact SD-CD1 3.85Å; M67-Y264 HydrophobicContact SD-CE1 4.22Å; L258-Y264 HydrophobicContact CD1-CD2 3.97Å; L258-Y264 HydrophobicContact CD1-CG 4.44Å; Q262-Y264 VanDerWaalsContact C-N 3.32Å; Q262-Y264 HydrophobicContact CB-CD2 3.65Å; Q262-Y264 HydrophobicContact CB-CE2 3.48Å; Q262-Y264 VanDerWaalsContact CB-CE2 3.48Å; Q262-Y264 HydrophobicContact CG-CE2 4.07Å; Q262-Y264 PolarHBondContact O-N 3.38Å; Y264-D266 PolarHBondContact O-N 3.14Å; Y264-H267 PolarHBondContact O-N 3.4Å
265K88.3Confident92.7Very high172 Ų17267 Ų6775%0.74838%0.375SS*.THydrogen-bonded Turntrans-60.2135.5177.6-166.9-175.5173-173.60109.9H267K265-H267 PolarHBondContact O-N 3.49Å; K265-H267 VanDerWaalsContact O-N 3.12Å; K265-H267 PolarHBondContact O-ND1 3.35Å
266D87.9Confident92.6Very high139 Ų13971.8 Ų71.874%0.74340%0.397SS*.THydrogen-bonded Turntrans64.17.4-179.4-50.1-42.2000115.4Y264Y264-D266 PolarHBondContact O-N 3.14Å
267H90.9Very high92.6Very high31 Ų3172.3 Ų72.314%0.14440%0.4CS..  trans-125.847.6179.3-61.976.5000111.8L258 Y264 K265L258-H267 HydrophobicContact CB-CB 4.36Å; L258-H267 HydrophobicContact CD1-CB 4.34Å; Y264-H267 PolarHBondContact O-N 3.4Å; K265-H267 PolarHBondContact O-N 3.49Å; K265-H267 VanDerWaalsContact O-N 3.12Å; K265-H267 PolarHBondContact O-ND1 3.35Å
268T89.9Confident92.6Very high105 Ų10572 Ų7264%0.64440%0.4SS*.  trans-94.2-3.4-175.454.80000114.2
269L90Very high92.7Very high105 Ų10576.5 Ų76.555%0.5542%0.424SS..  trans-138.8134.1-168.9-173149.4000110.3F257 L271F257-L269 WeakPolarHBondContact CD1-O 3.29Å; L269-L271 HydrophobicContact CD2-CB 4.47Å; L269-L271 HydrophobicContact CD2-CD1 4.14Å; L269-L271 HydrophobicContact CD2-CD2 3.49Å; L269-L271 VanDerWaalsContact CD2-CD2 3.49Å; L269-L271 HydrophobicContact CD2-CG 3.36Å
270D92.1Very high92.7Very high56 Ų5677.1 Ų77.130%0.29943%0.425SS..  trans-114.8109.1176.5-174-1.4000110R51 F257 P260 C272R51-D270 IonicContact CZ-OD2 3.03Å; R51-D270 IonicContact NE-OD2 2.56Å; R51-D270 VanDerWaalsContact NH2-CG 3.32Å; R51-D270 IonicContact NH2-OD1 2.78Å; R51-D270 PolarHBondContact NH2-OD1 3.04Å; R51-D270 VanDerWaalsContact NH2-OD1 3.1Å; R51-D270 IonicContact NH2-OD2 3.21Å; R51-D270 PolarHBondContact NH2-OD2 2.85Å; F257-D270 HydrophobicContact CB-CB 4.13Å; F257-D270 VanDerWaalsContact CB-OD1 3.25Å; F257-D270 WeakPolarHBondContact CB-OD1 3.38Å; F257-D270 WeakPolarHBondContact CD2-OD1 3.47Å; F257-D270 HydrophobicContact CG-CB 4.49Å; F257-D270 WeakPolarHBondContact CG-OD1 3.49Å; P260-D270 HydrophobicContact CG-CB 4.5Å; D270-C272 WeakPolarHBondContact OD1-CA 3.48Å; D270-C272 PolarHBondContact OD1-N 2.97Å
271L92.1Very high92.9Very high92 Ų9274.9 Ų74.948%0.48241%0.409SS..  trans-89-3.3175.6-67.2175000113.1F257 L269 V273F257-L271 HydrophobicContact CE1-CB 4.4Å; F257-L271 HydrophobicContact CE2-CB 4.01Å; F257-L271 HydrophobicContact CZ-CB 3.73Å; F257-L271 HydrophobicContact CZ-CD1 4.33Å; F257-L271 HydrophobicContact CZ-CG 4.22Å; L269-L271 HydrophobicContact CD2-CB 4.47Å; L269-L271 HydrophobicContact CD2-CD1 4.14Å; L269-L271 HydrophobicContact CD2-CD2 3.49Å; L269-L271 VanDerWaalsContact CD2-CD2 3.49Å; L269-L271 HydrophobicContact CD2-CG 3.36Å; L271-V273 PolarHBondContact O-N 2.98Å
272C90.6Very high93.1Very high67 Ų6773.4 Ų73.445%0.45339%0.387SS..SBendtrans61.7-37.8-166.9-59.10000114.8D270D270-C272 WeakPolarHBondContact OD1-CA 3.48Å; D270-C272 PolarHBondContact OD1-N 2.97Å
273V93.3Very high93.3Very high61 Ų6175.2 Ų75.237%0.3739%0.394SS..SBendtrans-117.2126.1-179.6-178.30000110.1L271 I275 L278L271-V273 PolarHBondContact O-N 2.98Å; V273-I275 PolarHBondContact O-N 3.42Å; V273-L278 HydrophobicContact CG1-CD1 3.92Å
274P95.1Very high93.5Very high4 Ų474.3 Ų74.33%0.02637%0.373CS..  trans-8672.1-173.437.4-39.7000111.5Y43 F257 F276 T277 L278Y43-P274 HydrophobicContact CD1-CG 3.92Å; Y43-P274 HydrophobicContact CD2-CG 4.12Å; Y43-P274 HydrophobicContact CE1-CB 4.29Å; Y43-P274 VanDerWaalsContact CE1-CD 3.46Å; Y43-P274 HydrophobicContact CE1-CG 3.58Å; Y43-P274 HydrophobicContact CE2-CB 4.17Å; Y43-P274 HydrophobicContact CE2-CG 3.77Å; Y43-P274 HydrophobicContact CG-CG 4.19Å; Y43-P274 VanDerWaalsContact CZ-CG 3.48Å; F257-P274 HydrophobicContact CE2-CB 4.15Å; F257-P274 HydrophobicContact CZ-CB 4.48Å; P274-F276 PolarHBondContact O-N 3.48Å; P274-T277 WeakPolarHBondContact O-CB 3.32Å; P274-T277 PolarHBondContact O-N 2.64Å; P274-L278 HydrophobicContact CG-CG 4.5Å; P274-L278 WeakPolarHBondContact O-CG 3.2Å; P274-L278 PolarHBondContact O-N 3.24Å
275I96.3Very high93.8Very high96 Ų9672.4 Ų72.449%0.49237%0.368SS..Hα-helixtrans-50.4-49.1-171.8-61.2172.9000112.8V273 T277 L278 L279V273-I275 PolarHBondContact O-N 3.42Å; I275-T277 VanDerWaalsContact C-N 3.35Å; I275-T277 PolarHBondContact O-N 3.34Å; I275-L278 WeakPolarHBondContact O-CB 3.44Å; I275-L278 PolarHBondContact O-N 2.75Å; I275-L279 PolarHBondContact O-N 2.67Å
276F95.2Very high94.2Very high154 Ų15464.4 Ų64.468%0.67533%0.334SS*.Hα-helixtrans-70.7-29.5-178.6-68.5-69.4000113.3P274 L278 L279 Q280P274-F276 PolarHBondContact O-N 3.48Å; F276-L278 VanDerWaalsContact C-N 3.35Å; F276-L279 HydrophobicContact CD1-CD1 4.02Å; F276-L279 HydrophobicContact CE1-CD1 4.39Å; F276-L279 PolarHBondContact O-N 2.78Å; F276-Q280 WeakPolarHBondContact O-CG 3.37Å; F276-Q280 PolarHBondContact O-N 2.7Å
277T95.8Very high94.6Very high12 Ų1261.3 Ų61.37%0.07431%0.312CS..Hα-helixtrans-68.4-37.2171.8-51.40000110.7F39 C251 R255 P274 I275 Q280 F281F39-T277 HydrophobicContact CE1-CG2 4.24Å; F39-T277 HydrophobicContact CZ-CG2 4.06Å; C251-T277 HydrophobicContact CB-CG2 4.28Å; R255-T277 HydrophobicContact CB-CG2 4.26Å; R255-T277 HydrophobicContact CG-CG2 4.2Å; P274-T277 WeakPolarHBondContact O-CB 3.32Å; P274-T277 PolarHBondContact O-N 2.64Å; I275-T277 VanDerWaalsContact C-N 3.35Å; I275-T277 PolarHBondContact O-N 3.34Å; T277-Q280 PolarHBondContact O-N 3.08Å; T277-F281 WeakPolarHBondContact O-CB 3.49Å; T277-F281 PolarHBondContact O-N 3.04Å
278L96.9Very high95Very high29 Ų2960.1 Ų60.115%0.15231%0.307CS..Hα-helixtrans-66.3-37.8173.1-61176.2000111.6L36 F39 L40 V273 P274 I275 F276 F281 F282L36-L278 HydrophobicContact CD1-CD2 3.98Å; F39-L278 HydrophobicContact CD1-CD2 4.05Å; F39-L278 HydrophobicContact CE1-CD2 4.17Å; L40-L278 HydrophobicContact CD1-CD1 4.43Å; L40-L278 HydrophobicContact CD1-CD2 4.36Å; V273-L278 HydrophobicContact CG1-CD1 3.92Å; P274-L278 HydrophobicContact CG-CG 4.5Å; P274-L278 WeakPolarHBondContact O-CG 3.2Å; P274-L278 PolarHBondContact O-N 3.24Å; I275-L278 WeakPolarHBondContact O-CB 3.44Å; I275-L278 PolarHBondContact O-N 2.75Å; F276-L278 VanDerWaalsContact C-N 3.35Å; L278-F281 VanDerWaalsContact O-CB 3.29Å; L278-F281 WeakPolarHBondContact O-CB 3.41Å; L278-F281 PolarHBondContact O-N 3.08Å; L278-F282 VanDerWaalsContact O-CD2 3.23Å; L278-F282 WeakPolarHBondContact O-CD2 3.31Å; L278-F282 PolarHBondContact O-N 2.96Å
279L96.7Very high95.4Very high99 Ų9956.4 Ų56.452%0.51828%0.282SS..Hα-helixtrans-64.9-41.3172.5-70.1174.7000112.2I275 F276 F281 F282 F283I275-L279 PolarHBondContact O-N 2.67Å; F276-L279 HydrophobicContact CD1-CD1 4.02Å; F276-L279 HydrophobicContact CE1-CD1 4.39Å; F276-L279 PolarHBondContact O-N 2.78Å; L279-F281 VanDerWaalsContact C-N 3.25Å; L279-F281 PolarHBondContact O-N 3.07Å; L279-F282 PolarHBondContact O-N 3.33Å; L279-F283 PolarHBondContact O-N 3.34Å
280Q95.6Very high95.7Very high68 Ų6854.2 Ų54.232%0.31827%0.273SS..Hα-helixtrans-61.8-35.8171.5-74.2177.1-1.900111.7Y247 F276 T277 F283 Y284Y247-Q280 PolarHBondContact OH-OE1 3.1Å; Y247-Q280 VanDerWaalsContact OH-OE1 3.13Å; F276-Q280 WeakPolarHBondContact O-CG 3.37Å; F276-Q280 PolarHBondContact O-N 2.7Å; T277-Q280 PolarHBondContact O-N 3.08Å; Q280-F283 PolarHBondContact O-N 3.18Å; Q280-Y284 WeakPolarHBondContact O-CD2 3.33Å; Q280-Y284 PolarHBondContact O-N 3.31Å
281F96.6Very high96Very high13 Ų1351.6 Ų51.66%0.05726%0.259CS..Hα-helixtrans-60.3-52.2173.1-170.7-88.6000111.7L32 E35 L36 F39 F248 T277 L278 L279 F283 A285L32-F281 HydrophobicContact CD2-CE1 4.44Å; E35-F281 HydrophobicContact CB-CE1 4.37Å; E35-F281 HydrophobicContact CB-CZ 3.94Å; L36-F281 HydrophobicContact CB-CE1 4.12Å; L36-F281 HydrophobicContact CD1-CD1 3.78Å; L36-F281 HydrophobicContact CD1-CE1 4.2Å; L36-F281 HydrophobicContact CD1-CG 4.48Å; F39-F281 HydrophobicContact CB-CD2 4.31Å; F39-F281 HydrophobicContact CB-CE2 3.89Å; F39-F281 HydrophobicContact CB-CZ 4.19Å; F39-F281 HydrophobicContact CD1-CD2 4.15Å; F39-F281 HydrophobicContact CD2-CD2 4.09Å; F39-F281 HydrophobicContact CD2-CE2 4.05Å; F39-F281 HydrophobicContact CE2-CD2 4.49Å; F39-F281 AromaticContact CG-CD2 3.91Å; F39-F281 HydrophobicContact CG-CD2 3.91Å; F39-F281 AromaticContact CG-CE2 3.9Å; F39-F281 HydrophobicContact CG-CE2 3.9Å; F248-F281 AromaticContact CD1-CD2 3.75Å; F248-F281 HydrophobicContact CD1-CD2 3.75Å; F248-F281 HydrophobicContact CD1-CE2 4.44Å; F248-F281 HydrophobicContact CD2-CD2 4.26Å; F248-F281 HydrophobicContact CD2-CE2 4.32Å; F248-F281 HydrophobicContact CE1-CB 3.95Å; F248-F281 AromaticContact CE1-CD2 3.59Å; F248-F281 HydrophobicContact CE1-CD2 3.59Å; F248-F281 HydrophobicContact CE1-CG 4.17Å; F248-F281 HydrophobicContact CE2-CD2 4.1Å; F248-F281 HydrophobicContact CE2-CE2 4.38Å; F248-F281 HydrophobicContact CG-CD2 4.1Å; F248-F281 HydrophobicContact CG-CE2 4.35Å; F248-F281 HydrophobicContact CZ-CB 4.23Å; F248-F281 AromaticContact CZ-CD2 3.77Å; F248-F281 HydrophobicContact CZ-CD2 3.77Å; F248-F281 HydrophobicContact CZ-CE2 4.49Å; F248-F281 HydrophobicContact CZ-CG 4.24Å; T277-F281 WeakPolarHBondContact O-CB 3.49Å; T277-F281 PolarHBondContact O-N 3.04Å; L278-F281 VanDerWaalsContact O-CB 3.29Å; L278-F281 WeakPolarHBondContact O-CB 3.41Å; L278-F281 PolarHBondContact O-N 3.08Å; L279-F281 VanDerWaalsContact C-N 3.25Å; L279-F281 PolarHBondContact O-N 3.07Å; F281-F283 PolarHBondContact O-N 2.85Å; F281-A285 HydrophobicContact CD1-CB 4.18Å; F281-A285 HydrophobicContact CD2-CB 4.44Å; F281-A285 HydrophobicContact CE1-CB 3.94Å; F281-A285 HydrophobicContact CE2-CB 4.21Å; F281-A285 HydrophobicContact CG-CB 4.43Å; F281-A285 HydrophobicContact CZ-CB 3.96Å; F281-A285 WeakPolarHBondContact O-CB 3.41Å; F281-A285 PolarHBondContact O-N 3.48Å
282F96.6Very high96.3Very high54 Ų5450.9 Ų50.924%0.23725%0.253CS..Hα-helixtrans-54.5-42.1173.5-82.6-71.7000112.1I28 Y29 L32 L36 L278 L279 G286I28-F282 HydrophobicContact CD1-CD1 4.4Å; I28-F282 WeakPolarHBondContact CD1-O 3.22Å; I28-F282 HydrophobicContact CG1-CD1 4.44Å; Y29-F282 AromaticContact CD1-CE1 3.96Å; Y29-F282 HydrophobicContact CD1-CE1 3.96Å; Y29-F282 HydrophobicContact CD1-CZ 4.45Å; Y29-F282 HydrophobicContact CE1-CE1 4.34Å; L32-F282 HydrophobicContact CD1-CD1 3.81Å; L32-F282 HydrophobicContact CD1-CE1 4.37Å; L36-F282 HydrophobicContact CD1-CE2 4.35Å; L36-F282 HydrophobicContact CD2-CE1 4.33Å; L36-F282 HydrophobicContact CD2-CE2 3.91Å; L36-F282 HydrophobicContact CD2-CZ 3.5Å; L36-F282 VanDerWaalsContact CD2-CZ 3.5Å; L278-F282 VanDerWaalsContact O-CD2 3.23Å; L278-F282 WeakPolarHBondContact O-CD2 3.31Å; L278-F282 PolarHBondContact O-N 2.96Å; L279-F282 PolarHBondContact O-N 3.33Å; F282-G286 WeakPolarHBondContact O-CA 3.4Å; F282-G286 PolarHBondContact O-N 3.3Å
283F95.8Very high96.6Very high113 Ų11348.6 Ų48.650%0.49624%0.236SC..Hα-helixtrans-65.8-60-179.5-176.4-110000112.8L279 Q280 F281 W287L279-F283 PolarHBondContact O-N 3.34Å; Q280-F283 PolarHBondContact O-N 3.18Å; F281-F283 PolarHBondContact O-N 2.85Å; F283-W287 HydrophobicContact CE1-CE3 4.04Å; F283-W287 HydrophobicContact CE1-CZ3 4.21Å; F283-W287 AromaticContact CZ-CE3 3.85Å; F283-W287 HydrophobicContact CZ-CE3 3.85Å; F283-W287 AromaticContact CZ-CZ3 3.99Å; F283-W287 HydrophobicContact CZ-CZ3 3.99Å; F283-W287 WeakPolarHBondContact O-CB 3.46Å; F283-W287 PolarHBondContact O-N 3.42Å
284Y96.2Very high96.8Very high39 Ų3946.6 Ų46.615%0.15322%0.223CC..Hα-helixtrans-77.5-43.1-173.5-66.1-69.8000113.4V78 S79 Y247 F248 Q280 G286 W287 L288V78-Y284 HydrophobicContact CB-CD1 4.21Å; V78-Y284 HydrophobicContact CB-CE1 4.13Å; V78-Y284 HydrophobicContact CG1-CD1 3.82Å; V78-Y284 HydrophobicContact CG1-CE1 4.23Å; V78-Y284 HydrophobicContact CG1-CG 4.42Å; S79-Y284 WeakPolarHBondContact OG-CE1 3.37Å; S79-Y284 PolarHBondContact OG-OH 2.95Å; Y247-Y284 HydrophobicContact CD1-CD2 4.43Å; Y247-Y284 AromaticContact CE1-CD2 3.71Å; Y247-Y284 HydrophobicContact CE1-CD2 3.71Å; Y247-Y284 AromaticContact CE1-CE2 3.97Å; Y247-Y284 HydrophobicContact CE1-CE2 3.97Å; Y247-Y284 AromaticContact CZ-CE2 3.93Å; F248-Y284 HydrophobicContact CZ-CD2 4.5Å; Q280-Y284 WeakPolarHBondContact O-CD2 3.33Å; Q280-Y284 PolarHBondContact O-N 3.31Å; Y284-G286 VanDerWaalsContact C-N 3.33Å; Y284-W287 PolarHBondContact O-N 2.98Å; Y284-L288 PolarHBondContact O-N 3.48Å
285A97.3Very high96.9Very high12 Ų1249.4 Ų49.410%0.09924%0.237CC..Hα-helixtrans-68.6-37.8176.900000110.4L32 F248 F281 L288 K289L32-A285 HydrophobicContact CD2-CB 3.78Å; F248-A285 HydrophobicContact CE2-CB 3.98Å; F248-A285 HydrophobicContact CZ-CB 4.37Å; F281-A285 HydrophobicContact CD1-CB 4.18Å; F281-A285 HydrophobicContact CD2-CB 4.44Å; F281-A285 HydrophobicContact CE1-CB 3.94Å; F281-A285 HydrophobicContact CE2-CB 4.21Å; F281-A285 HydrophobicContact CG-CB 4.43Å; F281-A285 HydrophobicContact CZ-CB 3.96Å; F281-A285 WeakPolarHBondContact O-CB 3.41Å; F281-A285 PolarHBondContact O-N 3.48Å; A285-L288 WeakPolarHBondContact O-CB 3.49Å; A285-L288 PolarHBondContact O-N 3.46Å; A285-K289 WeakPolarHBondContact O-CG 3.3Å; A285-K289 PolarHBondContact O-N 3.33Å
286G97.3Very high97Very high4 Ų448.2 Ų48.24%0.04123%0.232CC..Hα-helixtrans-64.4-41174.500000113F282 Y284 L288 K289 V290F282-G286 WeakPolarHBondContact O-CA 3.4Å; F282-G286 PolarHBondContact O-N 3.3Å; Y284-G286 VanDerWaalsContact C-N 3.33Å; G286-L288 VanDerWaalsContact C-N 3.32Å; G286-L288 PolarHBondContact O-N 2.99Å; G286-K289 WeakPolarHBondContact O-CB 3.23Å; G286-K289 PolarHBondContact O-N 3.5Å; G286-K289 VanDerWaalsContact O-N 3.12Å; G286-V290 PolarHBondContact O-N 2.93Å
287W97.4Very high97.1Very high73 Ų7340.9 Ų40.928%0.27720%0.2SC..Hα-helixtrans-67-34.6176.3-162.76000111.8L82 V86 F283 Y284 V290L82-W287 HydrophobicContact CD2-CB 3.5Å; L82-W287 HydrophobicContact CD2-CD2 3.12Å; L82-W287 HydrophobicContact CD2-CE3 3.57Å; L82-W287 HydrophobicContact CD2-CG 3.08Å; L82-W287 HydrophobicContact CD2-CZ2 4.34Å; L82-W287 HydrophobicContact CD2-CZ3 4.31Å; L82-W287 HydrophobicContact CG-CD2 4.48Å; V86-W287 WeakPolarHBondContact CG2-O 3.27Å; F283-W287 HydrophobicContact CE1-CE3 4.04Å; F283-W287 HydrophobicContact CE1-CZ3 4.21Å; F283-W287 AromaticContact CZ-CE3 3.85Å; F283-W287 HydrophobicContact CZ-CE3 3.85Å; F283-W287 AromaticContact CZ-CZ3 3.99Å; F283-W287 HydrophobicContact CZ-CZ3 3.99Å; F283-W287 WeakPolarHBondContact O-CB 3.46Å; F283-W287 PolarHBondContact O-N 3.42Å; Y284-W287 PolarHBondContact O-N 2.98Å; W287-V290 WeakPolarHBondContact O-CB 3.48Å; W287-V290 PolarHBondContact O-N 3.22Å
288L97.8Very high97.3Very high6 Ų640.5 Ų40.53%0.03120%0.197CC..Hα-helixtrans-63.4-42.6167.9-178.662.8000111.6L82 V240 V244 Y245 Y284 A285 G286 V290 A291 E292L82-L288 HydrophobicContact CD1-CB 4.27Å; V240-L288 HydrophobicContact CG1-CD1 4.04Å; V244-L288 HydrophobicContact CB-CD2 4.2Å; V244-L288 HydrophobicContact CG1-CD2 4.06Å; V244-L288 HydrophobicContact CG2-CD2 4.3Å; Y245-L288 HydrophobicContact CE1-CD2 4.24Å; Y284-L288 PolarHBondContact O-N 3.48Å; A285-L288 WeakPolarHBondContact O-CB 3.49Å; A285-L288 PolarHBondContact O-N 3.46Å; G286-L288 VanDerWaalsContact C-N 3.32Å; G286-L288 PolarHBondContact O-N 2.99Å; L288-V290 VanDerWaalsContact C-N 3.26Å; L288-V290 PolarHBondContact O-N 3.11Å; L288-A291 WeakPolarHBondContact O-CA 3.39Å; L288-A291 WeakPolarHBondContact O-CB 3.48Å; L288-A291 PolarHBondContact O-N 2.95Å; L288-E292 HydrophobicContact CG-CG 4.47Å; L288-E292 PolarHBondContact O-N 3.46Å
289K97.9Very high97.2Very high28 Ų2839.8 Ų39.812%0.12220%0.196CC..Hα-helixtrans-60.5-31.7176.7-74.1-60.9-177.7-173.70113.6L31 L32 E35 A285 G286 A291 E292 Q293L31-K289 HydrophobicContact CB-CB 4.34Å; L31-K289 HydrophobicContact CB-CD 4.43Å; L31-K289 HydrophobicContact CB-CG 4.23Å; L31-K289 HydrophobicContact CD1-CB 4.25Å; L31-K289 WeakPolarHBondContact O-CE 3.45Å; L32-K289 HydrophobicContact CD2-CD 4.37Å; L32-K289 HydrophobicContact CD2-CG 3.45Å; L32-K289 VanDerWaalsContact CD2-CG 3.45Å; L32-K289 HydrophobicContact CG-CG 4.11Å; E35-K289 WeakPolarHBondContact OE1-CE 3.23Å; E35-K289 IonicContact OE1-NZ 3.8Å; E35-K289 PolarHBondContact OE1-NZ 2.93Å; A285-K289 WeakPolarHBondContact O-CG 3.3Å; A285-K289 PolarHBondContact O-N 3.33Å; G286-K289 WeakPolarHBondContact O-CB 3.23Å; G286-K289 PolarHBondContact O-N 3.5Å; G286-K289 VanDerWaalsContact O-N 3.12Å; K289-A291 VanDerWaalsContact C-N 3.29Å; K289-A291 PolarHBondContact O-N 3.16Å; K289-E292 HydrophobicContact CD-CB 4.48Å; K289-E292 VanDerWaalsContact CD-OE2 3.26Å; K289-E292 WeakPolarHBondContact CD-OE2 3.49Å; K289-E292 WeakPolarHBondContact CE-OE2 3.29Å; K289-E292 IonicContact NZ-OE1 3.1Å; K289-E292 IonicContact NZ-OE2 3.66Å; K289-E292 PolarHBondContact NZ-OE2 2.85Å; K289-E292 PolarHBondContact O-N 3.22Å; K289-Q293 WeakPolarHBondContact O-CB 3.23Å; K289-Q293 PolarHBondContact O-N 3.18Å
290V97.9Very high97.2Very high59 Ų5940.6 Ų40.636%0.35820%0.197SC..Hα-helixtrans-57.8-45.2171174.20000110.3V86 G286 W287 L288 L294V86-V290 HydrophobicContact CG1-CG1 4.08Å; G286-V290 PolarHBondContact O-N 2.93Å; W287-V290 WeakPolarHBondContact O-CB 3.48Å; W287-V290 PolarHBondContact O-N 3.22Å; L288-V290 VanDerWaalsContact C-N 3.26Å; L288-V290 PolarHBondContact O-N 3.11Å; V290-L294 HydrophobicContact CG1-CD1 3.86Å; V290-L294 WeakPolarHBondContact O-CB 3.41Å; V290-L294 WeakPolarHBondContact O-CG 3.45Å; V290-L294 PolarHBondContact O-N 3.25Å; V290-L294 VanDerWaalsContact O-N 3.17Å
291A97.9Very high97.2Very high1 Ų141 Ų411%0.00820%0.202CC..Hα-helixtrans-68.4-43175.400000112.4Y85 V86 V89 L288 K289 Q293 L294 I295Y85-A291 HydrophobicContact CD1-CB 3.86Å; Y85-A291 HydrophobicContact CE1-CB 3.5Å; Y85-A291 VanDerWaalsContact CE1-CB 3.5Å; V86-A291 HydrophobicContact CG2-CB 3.95Å; V89-A291 HydrophobicContact CB-CB 4.37Å; V89-A291 HydrophobicContact CG1-CB 4.42Å; V89-A291 HydrophobicContact CG2-CB 3.97Å; L288-A291 WeakPolarHBondContact O-CA 3.39Å; L288-A291 WeakPolarHBondContact O-CB 3.48Å; L288-A291 PolarHBondContact O-N 2.95Å; K289-A291 VanDerWaalsContact C-N 3.29Å; K289-A291 PolarHBondContact O-N 3.16Å; A291-Q293 VanDerWaalsContact C-N 3.28Å; A291-Q293 PolarHBondContact O-N 3.04Å; A291-L294 PolarHBondContact O-N 2.8Å; A291-I295 WeakPolarHBondContact O-CB 3.25Å; A291-I295 PolarHBondContact O-N 3.24Å
292E97.3Very high97.1Very high77 Ų7742.1 Ų42.136%0.3621%0.209SC..Hα-helixtrans-58.4-39.7179-70.5-179.1-15600112.6L288 K289 I295L288-E292 HydrophobicContact CG-CG 4.47Å; L288-E292 PolarHBondContact O-N 3.46Å; K289-E292 HydrophobicContact CD-CB 4.48Å; K289-E292 VanDerWaalsContact CD-OE2 3.26Å; K289-E292 WeakPolarHBondContact CD-OE2 3.49Å; K289-E292 WeakPolarHBondContact CE-OE2 3.29Å; K289-E292 IonicContact NZ-OE1 3.1Å; K289-E292 IonicContact NZ-OE2 3.66Å; K289-E292 PolarHBondContact NZ-OE2 2.85Å; K289-E292 PolarHBondContact O-N 3.22Å; E292-I295 VanDerWaalsContact O-CG2 3.29Å; E292-I295 WeakPolarHBondContact O-CG2 3.35Å
293Q97.5Very high97.1Very high18 Ų1841.4 Ų41.48%0.08421%0.207CC..Hα-helixtrans-70.9-44.7177.7-171.91772000111.7K289 A291 D301K289-Q293 WeakPolarHBondContact O-CB 3.23Å; K289-Q293 PolarHBondContact O-N 3.18Å; A291-Q293 VanDerWaalsContact C-N 3.28Å; A291-Q293 PolarHBondContact O-N 3.04Å; Q293-D301 HydrophobicContact CG-CB 4.37Å
294L97.8Very high97.2Very high19 Ų1936.1 Ų36.110%0.09918%0.184CC..Hα-helixtrans-85.8-8.6-172.1-58.8179.9000114.1V89 V90 W93 V290 A291 N296V89-L294 HydrophobicContact CG1-CB 3.72Å; V90-L294 HydrophobicContact CG2-CD1 3.91Å; W93-L294 HydrophobicContact CB-CB 4.24Å; W93-L294 HydrophobicContact CD2-CD2 4.42Å; W93-L294 HydrophobicContact CG-CB 4.24Å; W93-L294 HydrophobicContact CG-CD2 4.15Å; V290-L294 HydrophobicContact CG1-CD1 3.86Å; V290-L294 WeakPolarHBondContact O-CB 3.41Å; V290-L294 WeakPolarHBondContact O-CG 3.45Å; V290-L294 PolarHBondContact O-N 3.25Å; V290-L294 VanDerWaalsContact O-N 3.17Å; A291-L294 PolarHBondContact O-N 2.8Å; L294-N296 VanDerWaalsContact C-N 3.25Å; L294-N296 PolarHBondContact O-N 3.45Å
295I97.8Very high97.3Very high63 Ų6334.9 Ų34.932%0.32318%0.18SC..THydrogen-bonded Turntrans-63.6-33.2-178.8-160.4170.5000112.1A291 E292A291-I295 WeakPolarHBondContact O-CB 3.25Å; A291-I295 PolarHBondContact O-N 3.24Å; E292-I295 VanDerWaalsContact O-CG2 3.29Å; E292-I295 WeakPolarHBondContact O-CG2 3.35Å
296N97.8Very high97.3Very high72 Ų7237.1 Ų37.139%0.38519%0.188SC..  trans-134.288.7173.3-177.71.4000110.3L294 F298L294-N296 VanDerWaalsContact C-N 3.25Å; L294-N296 PolarHBondContact O-N 3.45Å; N296-F298 PolarHBondContact O-N 2.86Å; N296-F298 VanDerWaalsContact O-N 3.12Å; N296-F298 PolarHBondContact OD1-N 3.31Å
297P98.2Very high97.4Very high0 Ų037 Ų370%019%0.187CC..THydrogen-bonded Turntrans-78.79.2-177.533-35.2000114.5D304 F305P297-D304 WeakPolarHBondContact CA-OD1 3.12Å; P297-D304 WeakPolarHBondContact O-CB 3.26Å; P297-F305 HydrophobicContact CB-CD2 3.75Å; P297-F305 HydrophobicContact CB-CE1 4.29Å; P297-F305 HydrophobicContact CB-CE2 3.47Å; P297-F305 VanDerWaalsContact CB-CE2 3.47Å; P297-F305 HydrophobicContact CB-CG 4.27Å; P297-F305 HydrophobicContact CB-CZ 3.73Å; P297-F305 HydrophobicContact CG-CD2 3.96Å; P297-F305 HydrophobicContact CG-CE2 3.4Å; P297-F305 HydrophobicContact CG-CZ 3.94Å; P297-F305 PolarHBondContact O-N 3Å
298F98.1Very high97.4Very high3 Ų335.6 Ų35.61%0.01318%0.184CC..THydrogen-bonded Turntrans-105.116.3179.6-65.6-67.9000112.5Q96 M100 V143 S144 T145 L224 N296 F305 T307Q96-F298 HydrophobicContact CB-CE2 4.12Å; Q96-F298 HydrophobicContact CB-CZ 4.34Å; Q96-F298 HydrophobicContact CG-CE2 4.36Å; M100-F298 HydrophobicContact CE-CE1 4.44Å; M100-F298 HydrophobicContact SD-CE1 3.99Å; V143-F298 HydrophobicContact CG2-CD2 4.4Å; V143-F298 HydrophobicContact CG2-CG 4.36Å; V143-F298 WeakPolarHBondContact O-CB 3.21Å; S144-F298 VanDerWaalsContact CA-O 3.27Å; S144-F298 WeakPolarHBondContact CA-O 3.28Å; S144-F298 PolarHBondContact OG-O 3.4Å; T145-F298 PolarHBondContact N-O 2.87Å; T145-F298 VanDerWaalsContact N-O 3.12Å; L224-F298 HydrophobicContact CD2-CE2 4.04Å; L224-F298 HydrophobicContact CD2-CZ 3.56Å; N296-F298 PolarHBondContact O-N 2.86Å; N296-F298 VanDerWaalsContact O-N 3.12Å; N296-F298 PolarHBondContact OD1-N 3.31Å; F298-F305 HydrophobicContact CD1-CD2 4.17Å; F298-F305 AromaticContact CE1-CD2 3.77Å; F298-F305 HydrophobicContact CE1-CD2 3.77Å; F298-F305 HydrophobicContact CE1-CE2 4.47Å; F298-F305 HydrophobicContact CZ-CD2 4.03Å; F298-F305 HydrophobicContact CZ-CE2 4.29Å; F298-T307 HydrophobicContact CD1-CG2 3.66Å; F298-T307 HydrophobicContact CE1-CG2 4.03Å
299G95.5Very high97.4Very high14 Ų1441.5 Ų41.514%0.14421%0.21CC..SBendtrans-78.5-142.5174.700000113.8T145 D304T145-G299 WeakPolarHBondContact OG1-CA 3Å; G299-D304 WeakPolarHBondContact CA-OD2 3.17Å; G299-D304 PolarHBondContact N-OD2 2.79Å
300E96.1Very high97.4Very high116 Ų11641.7 Ų41.754%0.54221%0.212SC..SBendtrans-134.516.2179.8-66.8170.7121.100111.8A146 K149 D304A146-E300 HydrophobicContact CB-CG 4.06Å; K149-E300 VanDerWaalsContact CD-OE1 3.28Å; K149-E300 WeakPolarHBondContact CD-OE1 3.23Å; K149-E300 IonicContact NZ-OE1 3.42Å; K149-E300 PolarHBondContact NZ-OE1 3.27Å; K149-E300 IonicContact NZ-OE2 3.42Å; K149-E300 PolarHBondContact NZ-OE2 3.3Å; E300-D304 PolarHBondContact N-OD2 3.44Å
301D96.1Very high97.5Very high78 Ų7839.2 Ų39.242%0.41720%0.197SC..SBendtrans-65.9158.5174-75.1-34.2000110.6Q293 D303 D304Q293-D301 HydrophobicContact CG-CB 4.37Å; D301-D303 PolarHBondContact O-N 2.91Å; D301-D304 WeakPolarHBondContact CB-OD2 3.4Å; D301-D304 PolarHBondContact N-OD2 2.86Å; D301-D304 PolarHBondContact O-N 3.15Å; D301-D304 VanDerWaalsContact O-N 3.14Å
302D95.4Very high97.5Very high36 Ų3642.4 Ų42.419%0.19321%0.214CC..THydrogen-bonded Turntrans-55.9-29.6-176.2-76-11000113.1M1 T2 V3 R25 G26 K30M1-D302 CarbonylContact C-O 3.26Å; M1-D302 VanDerWaalsContact C-O 3.26Å; T2-D302 VanDerWaalsContact CA-O 3.28Å; T2-D302 WeakPolarHBondContact CA-O 3.41Å; T2-D302 PolarHBondContact N-O 3.47Å; V3-D302 HydrophobicContact CG2-CB 4.21Å; R25-D302 HydrophobicContact CG-CB 4.21Å; R25-D302 WeakPolarHBondContact CG-OD2 3.45Å; G26-D302 PolarHBondContact N-OD2 2.69Å; K30-D302 WeakPolarHBondContact CD-OD2 3.49Å; K30-D302 WeakPolarHBondContact CE-OD2 3.46Å; K30-D302 IonicContact NZ-OD1 3.22Å; K30-D302 PolarHBondContact NZ-OD1 3.21Å; K30-D302 IonicContact NZ-OD2 2.84Å; K30-D302 PolarHBondContact NZ-OD2 2.94Å
303D96.2Very high97.5Very high39 Ų3942.5 Ų42.521%0.20921%0.211CC..THydrogen-bonded Turntrans-110.610.6-175.4-141.421000113.9T2 V3 D301T2-D303 WeakPolarHBondContact CG2-OD1 3.3Å; V3-D303 WeakPolarHBondContact CB-OD1 3.32Å; V3-D303 PolarHBondContact N-OD1 3.2Å; D301-D303 PolarHBondContact O-N 2.91Å
304D97.9Very high97.6Very high2 Ų242.5 Ų42.51%0.01121%0.211CC..SBendtrans-69.8164.3170.6-76-16.3000111.3T2 P297 G299 E300 D301T2-D304 PolarHBondContact OG1-O 3.38Å; P297-D304 WeakPolarHBondContact CA-OD1 3.12Å; P297-D304 WeakPolarHBondContact O-CB 3.26Å; G299-D304 WeakPolarHBondContact CA-OD2 3.17Å; G299-D304 PolarHBondContact N-OD2 2.79Å; E300-D304 PolarHBondContact N-OD2 3.44Å; D301-D304 WeakPolarHBondContact CB-OD2 3.4Å; D301-D304 PolarHBondContact N-OD2 2.86Å; D301-D304 PolarHBondContact O-N 3.15Å; D301-D304 VanDerWaalsContact O-N 3.14Å
305F98.3Very high97.6Very high13 Ų1344 Ų446%0.05722%0.217CC..  trans-70135.4-178.7-59.1-35.8000112.3W93 Q96 Y97 P297 F298 T307W93-F305 AromaticContact CD1-CZ 3.74Å; W93-F305 HydrophobicContact CD2-CZ 4.42Å; W93-F305 AromaticContact CE2-CE1 3.71Å; W93-F305 AromaticContact CE2-CZ 3.86Å; W93-F305 HydrophobicContact CG-CZ 4.33Å; W93-F305 AromaticContact CZ2-CE1 3.93Å; W93-F305 HydrophobicContact CZ2-CE1 3.93Å; W93-F305 HydrophobicContact CZ2-CZ 4.46Å; W93-F305 AromaticContact NE1-CE1 3.35Å; W93-F305 AromaticContact NE1-CZ 3.39Å; Q96-F305 HydrophobicContact CB-CE2 4.34Å; Y97-F305 AromaticContact CD2-CD1 3.99Å; Y97-F305 HydrophobicContact CD2-CD1 3.99Å; Y97-F305 AromaticContact CD2-CE1 3.83Å; Y97-F305 HydrophobicContact CD2-CE1 3.83Å; Y97-F305 HydrophobicContact CD2-CG 4.47Å; Y97-F305 HydrophobicContact CD2-CZ 4.18Å; Y97-F305 HydrophobicContact CG-CE1 4.26Å; Y97-F305 HydrophobicContact CG-CZ 4.31Å; P297-F305 HydrophobicContact CB-CD2 3.75Å; P297-F305 HydrophobicContact CB-CE1 4.29Å; P297-F305 HydrophobicContact CB-CE2 3.47Å; P297-F305 VanDerWaalsContact CB-CE2 3.47Å; P297-F305 HydrophobicContact CB-CG 4.27Å; P297-F305 HydrophobicContact CB-CZ 3.73Å; P297-F305 HydrophobicContact CG-CD2 3.96Å; P297-F305 HydrophobicContact CG-CE2 3.4Å; P297-F305 HydrophobicContact CG-CZ 3.94Å; P297-F305 PolarHBondContact O-N 3Å; F298-F305 HydrophobicContact CD1-CD2 4.17Å; F298-F305 AromaticContact CE1-CD2 3.77Å; F298-F305 HydrophobicContact CE1-CD2 3.77Å; F298-F305 HydrophobicContact CE1-CE2 4.47Å; F298-F305 HydrophobicContact CZ-CD2 4.03Å; F298-F305 HydrophobicContact CZ-CE2 4.29Å; F305-T307 HydrophobicContact CB-CG2 4.18Å; F305-T307 PolarHBondContact O-N 3.36Å
306E97.6Very high97.6Very high59 Ų5947.8 Ų47.828%0.27623%0.234SC..  trans-75.866.8173.7-61.7-52.112300113.2M1 T2 N308 F309 L310M1-E306 WeakPolarHBondContact CA-OE1 3.47Å; M1-E306 WeakPolarHBondContact CA-OE2 3.37Å; M1-E306 HydrophobicContact CB-CG 4.36Å; M1-E306 HydrophobicContact CG-CG 4.36Å; M1-E306 WeakPolarHBondContact CG-OE2 3.31Å; M1-E306 PolarHBondContact N-OE1 2.61Å; M1-E306 PolarHBondContact N-OE2 3.27Å; M1-E306 VanDerWaalsContact N-OE2 3.07Å; T2-E306 PolarHBondContact N-OE1 3.13Å; E306-N308 PolarHBondContact O-N 3.37Å; E306-F309 HydrophobicContact CB-CB 3.91Å; E306-F309 PolarHBondContact O-N 3.35Å; E306-L310 PolarHBondContact O-N 2.86Å
307T97.9Very high97.7Very high2 Ų246.4 Ų46.41%0.01223%0.228CC..Hα-helixtrans-61-41.9-177.254.50000113.2M100 L140 S144 V147 F298 F305 L310 I311M100-T307 HydrophobicContact CE-CG2 3.46Å; M100-T307 VanDerWaalsContact CE-CG2 3.46Å; L140-T307 HydrophobicContact CD2-CG2 4.5Å; S144-T307 PolarHBondContact OG-OG1 2.96Å; V147-T307 WeakPolarHBondContact CG2-OG1 3.33Å; F298-T307 HydrophobicContact CD1-CG2 3.66Å; F298-T307 HydrophobicContact CE1-CG2 4.03Å; F305-T307 HydrophobicContact CB-CG2 4.18Å; F305-T307 PolarHBondContact O-N 3.36Å; T307-L310 PolarHBondContact O-N 3.15Å; T307-I311 WeakPolarHBondContact O-CG1 3.48Å; T307-I311 PolarHBondContact O-N 3.47Å
308N98.3Very high97.7Very high42 Ų4246.5 Ų46.523%0.22523%0.228CC..Hα-helixtrans-62.8-43.3177.1-81.3-50.8000112.4A146 R150 E306 L310 I311 D312A146-N308 PolarHBondContact O-ND2 3.29Å; R150-N308 WeakPolarHBondContact CD-OD1 3.21Å; E306-N308 PolarHBondContact O-N 3.37Å; N308-L310 VanDerWaalsContact C-N 3.33Å; N308-L310 PolarHBondContact O-N 3.18Å; N308-I311 PolarHBondContact O-N 2.96Å; N308-D312 PolarHBondContact O-N 3.24Å; N308-D312 VanDerWaalsContact O-N 3.14Å
309F98.2Very high97.7Very high131 Ų13147 Ų4758%0.57523%0.231SC*.Hα-helixtrans-60.4-44.2174.8167.7-98.6000111.3E306 I311 D312 R313E306-F309 HydrophobicContact CB-CB 3.91Å; E306-F309 PolarHBondContact O-N 3.35Å; F309-I311 VanDerWaalsContact C-N 3.33Å; F309-I311 PolarHBondContact O-N 3.47Å; F309-D312 PolarHBondContact O-N 3.13Å; F309-R313 HydrophobicContact CE1-CB 4.5Å; F309-R313 HydrophobicContact CZ-CB 4.43Å; F309-R313 WeakPolarHBondContact O-CB 3.36Å; F309-R313 PolarHBondContact O-N 3.21Å
310L98.1Very high97.9Very high32 Ų3249.8 Ų49.817%0.16824%0.242CC..Hα-helixtrans-64.1-37.8178.5-71.7177.2000112.1M100 E306 T307 N308 N314M100-L310 HydrophobicContact CE-CB 4.48Å; M100-L310 HydrophobicContact CE-CD1 3.79Å; M100-L310 HydrophobicContact CG-CD1 3.83Å; E306-L310 PolarHBondContact O-N 2.86Å; T307-L310 PolarHBondContact O-N 3.15Å; N308-L310 VanDerWaalsContact C-N 3.33Å; N308-L310 PolarHBondContact O-N 3.18Å; L310-N314 WeakPolarHBondContact O-CB 3.4Å; L310-N314 PolarHBondContact O-N 3.27Å; L310-N314 PolarHBondContact O-ND2 3.42Å; L310-N314 PolarHBondContact O-OD1 3.43Å
311I98.6Very high98Very high7 Ų744.9 Ų44.94%0.03622%0.221CC..Hα-helixtrans-58-50173.4-72166.5000110.5V137 L140 V147 F151 F162 T307 N308 F309 N314 F315V137-I311 HydrophobicContact CG2-CD1 4.33Å; V137-I311 HydrophobicContact CG2-CG1 4.35Å; V137-I311 HydrophobicContact CG2-CG2 3.85Å; L140-I311 HydrophobicContact CB-CD1 4.32Å; L140-I311 HydrophobicContact CD1-CD1 3.87Å; L140-I311 HydrophobicContact CD1-CG1 3.68Å; V147-I311 HydrophobicContact CB-CD1 4.46Å; V147-I311 HydrophobicContact CG1-CD1 3.63Å; V147-I311 HydrophobicContact CG2-CD1 3.89Å; F151-I311 HydrophobicContact CE2-CD1 4.37Å; F162-I311 HydrophobicContact CE1-CG2 4.05Å; F162-I311 HydrophobicContact CE2-CG2 4.31Å; F162-I311 HydrophobicContact CZ-CG2 3.5Å; T307-I311 WeakPolarHBondContact O-CG1 3.48Å; T307-I311 PolarHBondContact O-N 3.47Å; N308-I311 PolarHBondContact O-N 2.96Å; F309-I311 VanDerWaalsContact C-N 3.33Å; F309-I311 PolarHBondContact O-N 3.47Å; I311-N314 PolarHBondContact O-N 3.27Å; I311-F315 WeakPolarHBondContact O-CB 3.47Å; I311-F315 PolarHBondContact O-N 3.45Å
312D98.5Very high98.1Very high68 Ų6841.1 Ų41.136%0.36420%0.201SC..Hα-helixtrans-65.7-48-177.1-64.6-32.9000111.6R150 N308 F309 N314 F315 Q316R150-D312 IonicContact CZ-OD1 3.59Å; R150-D312 VanDerWaalsContact CZ-OD1 3.29Å; R150-D312 IonicContact CZ-OD2 3.56Å; R150-D312 VanDerWaalsContact NH1-CG 3.31Å; R150-D312 IonicContact NH1-OD1 2.71Å; R150-D312 PolarHBondContact NH1-OD1 3.47Å; R150-D312 IonicContact NH1-OD2 3.98Å; R150-D312 PolarHBondContact NH1-OD2 2.8Å; R150-D312 IonicContact NH2-OD1 2.79Å; R150-D312 PolarHBondContact NH2-OD1 3.29Å; R150-D312 IonicContact NH2-OD2 3.7Å; R150-D312 PolarHBondContact NH2-OD2 2.87Å; N308-D312 PolarHBondContact O-N 3.24Å; N308-D312 VanDerWaalsContact O-N 3.14Å; F309-D312 PolarHBondContact O-N 3.13Å; D312-N314 VanDerWaalsContact C-N 3.34Å; D312-N314 PolarHBondContact O-N 3.21Å; D312-F315 PolarHBondContact O-N 3.22Å; D312-Q316 WeakPolarHBondContact O-CB 3.31Å; D312-Q316 PolarHBondContact O-N 3.06Å
313R98.4Very high98.2Very high79 Ų7940.3 Ų40.330%0.29820%0.197SC..Hα-helixtrans-56.8-49.4175.6178.7-88.2-179.6-166.5-3.1110.9D104 F309 F315 Q316 V317D104-R313 VanDerWaalsContact CG-NH1 3.3Å; D104-R313 IonicContact OD1-CZ 2.91Å; D104-R313 IonicContact OD1-NH1 3.29Å; D104-R313 PolarHBondContact OD1-NH1 3.06Å; D104-R313 IonicContact OD1-NH2 3.31Å; D104-R313 PolarHBondContact OD1-NH2 3.05Å; D104-R313 IonicContact OD2-CZ 3.87Å; D104-R313 IonicContact OD2-NH1 2.61Å; D104-R313 PolarHBondContact OD2-NH1 3.34Å; D104-R313 IonicContact OD2-NH2 3.48Å; F309-R313 HydrophobicContact CE1-CB 4.5Å; F309-R313 HydrophobicContact CZ-CB 4.43Å; F309-R313 WeakPolarHBondContact O-CB 3.36Å; F309-R313 PolarHBondContact O-N 3.21Å; R313-F315 VanDerWaalsContact C-N 3.35Å; R313-F315 PolarHBondContact O-N 3.47Å; R313-Q316 PolarHBondContact O-N 2.69Å; R313-V317 HydrophobicContact CG-CG2 4.26Å; R313-V317 WeakPolarHBondContact O-CB 3.45Å; R313-V317 VanDerWaalsContact O-CG2 3.25Å; R313-V317 WeakPolarHBondContact O-CG2 3.41Å; R313-V317 PolarHBondContact O-N 2.83Å
314N98.4Very high98.3Very high17 Ų1744.9 Ų44.99%0.09122%0.217CC..Hα-helixtrans-65.5-41.3-175.3-74-11.5000111.3L102 P103 L310 I311 D312 S318L102-N314 WeakPolarHBondContact CD2-ND2 3.42Å; P103-N314 HydrophobicContact CG-CB 3.74Å; L310-N314 WeakPolarHBondContact O-CB 3.4Å; L310-N314 PolarHBondContact O-N 3.27Å; L310-N314 PolarHBondContact O-ND2 3.42Å; L310-N314 PolarHBondContact O-OD1 3.43Å; I311-N314 PolarHBondContact O-N 3.27Å; D312-N314 VanDerWaalsContact C-N 3.34Å; D312-N314 PolarHBondContact O-N 3.21Å; N314-S318 WeakPolarHBondContact O-CB 3.44Å; N314-S318 PolarHBondContact O-N 3.49Å; N314-S318 PolarHBondContact O-OG 3.36Å
315F98.4Very high98.3Very high51 Ų5150.2 Ų50.222%0.22424%0.243CC..Hα-helixtrans-67.1-45.6178-163.4-110.8000111.8R130 F162 I311 D312 R313 S318 M319R130-F315 HydrophobicContact CB-CE2 4.5Å; R130-F315 HydrophobicContact CG-CE2 4.08Å; R130-F315 HydrophobicContact CG-CZ 4.45Å; F162-F315 AromaticContact CD1-CD2 3.8Å; F162-F315 HydrophobicContact CD1-CD2 3.8Å; F162-F315 AromaticContact CD1-CE2 3.8Å; F162-F315 HydrophobicContact CD1-CE2 3.8Å; F162-F315 HydrophobicContact CD1-CG 4.35Å; F162-F315 HydrophobicContact CD1-CZ 4.36Å; F162-F315 HydrophobicContact CE1-CB 3.99Å; F162-F315 HydrophobicContact CE1-CD1 4.24Å; F162-F315 AromaticContact CE1-CD2 3.5Å; F162-F315 HydrophobicContact CE1-CD2 3.5Å; F162-F315 VanDerWaalsContact CE1-CD2 3.5Å; F162-F315 AromaticContact CE1-CE2 3.95Å; F162-F315 HydrophobicContact CE1-CE2 3.95Å; F162-F315 AromaticContact CE1-CG 3.65Å; F162-F315 HydrophobicContact CE1-CG 3.65Å; F162-F315 HydrophobicContact CE1-CZ 4.49Å; F162-F315 HydrophobicContact CZ-CG 4.35Å; I311-F315 WeakPolarHBondContact O-CB 3.47Å; I311-F315 PolarHBondContact O-N 3.45Å; D312-F315 PolarHBondContact O-N 3.22Å; R313-F315 VanDerWaalsContact C-N 3.35Å; R313-F315 PolarHBondContact O-N 3.47Å; F315-S318 PolarHBondContact O-OG 2.71Å; F315-M319 HydrophobicContact CD2-CE 4.07Å; F315-M319 HydrophobicContact CE1-CG 4.42Å; F315-M319 HydrophobicContact CE2-CE 3.44Å; F315-M319 VanDerWaalsContact CE2-CE 3.44Å; F315-M319 HydrophobicContact CZ-CE 3.79Å; F315-M319 HydrophobicContact CZ-CG 4.42Å; F315-M319 WeakPolarHBondContact O-CB 3.37Å; F315-M319 WeakPolarHBondContact O-CG 3.49Å; F315-M319 PolarHBondContact O-N 3.4Å; F315-M319 VanDerWaalsContact O-N 3.11Å
316Q98.4Very high98.3Very high143 Ų14350.9 Ų50.967%0.66825%0.245SC*.Hα-helixtrans-62.4-53178.3-176.2-179.32.400112D312 R313 S318 M319 L320D312-Q316 WeakPolarHBondContact O-CB 3.31Å; D312-Q316 PolarHBondContact O-N 3.06Å; R313-Q316 PolarHBondContact O-N 2.69Å; Q316-S318 PolarHBondContact O-N 3.15Å; Q316-M319 PolarHBondContact O-N 2.89Å; Q316-L320 WeakPolarHBondContact O-CB 3.39Å; Q316-L320 PolarHBondContact O-N 3.13Å
317V98.6Very high98.2Very high43 Ų4352.2 Ų52.226%0.26125%0.254SS..Hα-helixtrans-64.9-42.7-176.1173.60000111.1M107 R313 M319 L320 A321M107-V317 HydrophobicContact CE-CG1 3.96Å; M107-V317 HydrophobicContact SD-CG1 4Å; R313-V317 HydrophobicContact CG-CG2 4.26Å; R313-V317 WeakPolarHBondContact O-CB 3.45Å; R313-V317 VanDerWaalsContact O-CG2 3.25Å; R313-V317 WeakPolarHBondContact O-CG2 3.41Å; R313-V317 PolarHBondContact O-N 2.83Å; V317-M319 PolarHBondContact O-N 3.45Å; V317-L320 PolarHBondContact O-N 3.38Å; V317-A321 VanDerWaalsContact O-CB 3.3Å; V317-A321 WeakPolarHBondContact O-CB 3.32Å; V317-A321 PolarHBondContact O-N 3.26Å
318S98.4Very high98.2Very high2 Ų257.9 Ų57.91%0.01429%0.285CS..Hα-helixtrans-65.2-40.5178.859.70000112.6N314 F315 Q316 V322N314-S318 WeakPolarHBondContact O-CB 3.44Å; N314-S318 PolarHBondContact O-N 3.49Å; N314-S318 PolarHBondContact O-OG 3.36Å; F315-S318 PolarHBondContact O-OG 2.71Å; Q316-S318 PolarHBondContact O-N 3.15Å; S318-V322 WeakPolarHBondContact O-CG2 3.42Å; S318-V322 PolarHBondContact O-N 2.99Å
319M98.6Very high98.1Very high14 Ų1462.9 Ų62.97%0.06931%0.31CS..Hα-helixtrans-67.2-39.1177-69.1-62.3159.500112R126 M129 R130 F315 Q316 V317 D323R126-M319 HydrophobicContact CB-SD 4.16Å; R126-M319 HydrophobicContact CG-SD 4.31Å; R126-M319 WeakPolarHBondContact O-CE 3.49Å; M129-M319 HydrophobicContact CB-CE 4.19Å; R130-M319 HydrophobicContact CB-CE 3.7Å; R130-M319 HydrophobicContact CG-CE 4.44Å; F315-M319 HydrophobicContact CD2-CE 4.07Å; F315-M319 HydrophobicContact CE1-CG 4.42Å; F315-M319 HydrophobicContact CE2-CE 3.44Å; F315-M319 VanDerWaalsContact CE2-CE 3.44Å; F315-M319 HydrophobicContact CZ-CE 3.79Å; F315-M319 HydrophobicContact CZ-CG 4.42Å; F315-M319 WeakPolarHBondContact O-CB 3.37Å; F315-M319 WeakPolarHBondContact O-CG 3.49Å; F315-M319 PolarHBondContact O-N 3.4Å; F315-M319 VanDerWaalsContact O-N 3.11Å; Q316-M319 PolarHBondContact O-N 2.89Å; V317-M319 PolarHBondContact O-N 3.45Å; M319-D323 WeakPolarHBondContact O-CB 3.45Å; M319-D323 PolarHBondContact O-N 3.21Å
320L98.6Very high98.1Very high72 Ų7261 Ų6138%0.37732%0.319SS..Hα-helixtrans-62.9-49.1175.8-174.770000111.3Q316 V317 V322 D323 E324 M325Q316-L320 WeakPolarHBondContact O-CB 3.39Å; Q316-L320 PolarHBondContact O-N 3.13Å; V317-L320 PolarHBondContact O-N 3.38Å; L320-V322 PolarHBondContact O-N 3.42Å; L320-D323 PolarHBondContact O-N 2.97Å; L320-E324 HydrophobicContact CD1-CB 3.97Å; L320-E324 HydrophobicContact CD1-CG 4.08Å; L320-E324 WeakPolarHBondContact CD1-OE2 3.39Å; L320-E324 PolarHBondContact O-N 3.37Å; L320-M325 PolarHBondContact O-N 3.32Å
321A98.6Very high98Very high12 Ų1267.2 Ų67.210%0.09935%0.349CS..Hα-helixtrans-63.9-40.8-175.100000113.2M107 V111 V317 M325M107-A321 HydrophobicContact CE-CB 4.48Å; M107-A321 HydrophobicContact CG-CB 4.27Å; M107-A321 HydrophobicContact SD-CB 3.9Å; V111-A321 WeakPolarHBondContact CG2-O 3.24Å; V317-A321 VanDerWaalsContact O-CB 3.3Å; V317-A321 WeakPolarHBondContact O-CB 3.32Å; V317-A321 PolarHBondContact O-N 3.26Å; A321-M325 HydrophobicContact CB-SD 4.35Å
322V98.5Very high98Very high0 Ų074.9 Ų74.90%039%0.39CS..Hα-helixtrans-90.5-3.5-177.1-51.40000113.5M107 V110 V111 R125 M129 S318 L320M107-V322 HydrophobicContact CB-CG1 3.95Å; V110-V322 HydrophobicContact CB-CG1 4.2Å; V110-V322 HydrophobicContact CG1-CB 4.28Å; V110-V322 HydrophobicContact CG1-CG1 3.97Å; V111-V322 HydrophobicContact CB-CG1 4.4Å; R125-V322 HydrophobicContact CB-CB 4.01Å; R125-V322 HydrophobicContact CB-CG2 4.01Å; R125-V322 WeakPolarHBondContact CD-O 3.26Å; R125-V322 PolarHBondContact NE-O 2.84Å; M129-V322 HydrophobicContact CB-CG2 4.37Å; M129-V322 HydrophobicContact CG-CB 4.22Å; M129-V322 HydrophobicContact CG-CG1 3.53Å; M129-V322 HydrophobicContact CG-CG2 3.77Å; M129-V322 HydrophobicContact SD-CG1 4.25Å; S318-V322 WeakPolarHBondContact O-CG2 3.42Å; S318-V322 PolarHBondContact O-N 2.99Å; L320-V322 PolarHBondContact O-N 3.42Å
323D98.3Very high97.9Very high19 Ų1979.7 Ų79.710%0.10241%0.41CS..Hα-helixtrans-116.3-75-177.4-167.810.8000111.4R122 R126 M319 L320 Y326R122-D323 WeakPolarHBondContact CD-OD1 3.32Å; R122-D323 VanDerWaalsContact CG-OD1 3.24Å; R122-D323 WeakPolarHBondContact CG-OD1 3.36Å; R122-D323 IonicContact CZ-OD1 3.23Å; R122-D323 IonicContact CZ-OD2 3.81Å; R122-D323 VanDerWaalsContact CZ-OD2 3.22Å; R122-D323 IonicContact NE-OD1 2.69Å; R122-D323 PolarHBondContact NE-OD1 3.41Å; R122-D323 IonicContact NE-OD2 3.34Å; R122-D323 PolarHBondContact NE-OD2 2.87Å; R122-D323 IonicContact NH2-OD1 2.72Å; R122-D323 IonicContact NH2-OD2 2.72Å; R122-D323 PolarHBondContact NH2-OD2 2.96Å; R126-D323 WeakPolarHBondContact CD-OD2 3.18Å; R126-D323 HydrophobicContact CG-CB 4.29Å; R126-D323 IonicContact CZ-OD2 3.98Å; R126-D323 IonicContact NE-OD2 2.94Å; R126-D323 IonicContact NH1-OD2 2.85Å; R126-D323 PolarHBondContact NH1-OD2 3.25Å; M319-D323 WeakPolarHBondContact O-CB 3.45Å; M319-D323 PolarHBondContact O-N 3.21Å; L320-D323 PolarHBondContact O-N 2.97Å; D323-Y326 WeakPolarHBondContact O-CB 3.45Å; D323-Y326 PolarHBondContact O-N 3.36Å
324E97.7Very high97.9Very high134 Ų13482.6 Ų82.663%0.62642%0.424SS*.THydrogen-bonded Turntrans-69.3-38.2-175.2-63.3-176.3-170.300111.6L320 Y326L320-E324 HydrophobicContact CD1-CB 3.97Å; L320-E324 HydrophobicContact CD1-CG 4.08Å; L320-E324 WeakPolarHBondContact CD1-OE2 3.39Å; L320-E324 PolarHBondContact O-N 3.37Å; E324-Y326 VanDerWaalsContact C-N 3.28Å; E324-Y326 PolarHBondContact O-N 3.44Å
325M98.1Very high97.8Very high114 Ų11486.2 Ų86.256%0.56244%0.444SS*.THydrogen-bonded Turntrans-83.40.5179.5-57.41756100113.6L320 A321 D327L320-M325 PolarHBondContact O-N 3.32Å; A321-M325 HydrophobicContact CB-SD 4.35Å; M325-D327 PolarHBondContact O-N 3.45Å; M325-D327 VanDerWaalsContact O-N 3.13Å
326Y98.1Very high97.8Very high28 Ų2891 Ų9111%0.1147%0.471CS..THydrogen-bonded Turntrans-70.3112.9-179171.9-98.5000110.6V111 H115 G116 R117 R125 D323 E324 D328V111-Y326 HydrophobicContact CG2-CD2 3.88Å; V111-Y326 HydrophobicContact CG2-CG 4.48Å; H115-Y326 WeakPolarHBondContact CA-OH 3.47Å; H115-Y326 WeakPolarHBondContact CB-OH 3.22Å; G116-Y326 PolarHBondContact N-OH 2.83Å; R117-Y326 HydrophobicContact CG-CD1 4.5Å; R117-Y326 HydrophobicContact CG-CE1 3.96Å; R125-Y326 VanDerWaalsContact CZ-CD1 3.41Å; D323-Y326 WeakPolarHBondContact O-CB 3.45Å; D323-Y326 PolarHBondContact O-N 3.36Å; E324-Y326 VanDerWaalsContact C-N 3.28Å; E324-Y326 PolarHBondContact O-N 3.44Å; Y326-D328 PolarHBondContact O-N 3.13Å; Y326-D328 VanDerWaalsContact O-N 3.17Å
327D95.9Very high97.7Very high87 Ų8787.5 Ų87.547%0.46545%0.452SS..THydrogen-bonded Turntrans58.626.2176.3-161.937.1000112.9R117 M325R117-D327 IonicContact CZ-OD2 3.93Å; R117-D327 VanDerWaalsContact CZ-OD2 3.23Å; R117-D327 IonicContact NE-OD2 3.28Å; R117-D327 PolarHBondContact NE-OD2 3.36Å; R117-D327 VanDerWaalsContact NH2-CG 3.29Å; R117-D327 PolarHBondContact NH2-O 3.16Å; R117-D327 IonicContact NH2-OD1 3.93Å; R117-D327 IonicContact NH2-OD2 2.84Å; R117-D327 PolarHBondContact NH2-OD2 3.12Å; M325-D327 PolarHBondContact O-N 3.45Å; M325-D327 VanDerWaalsContact O-N 3.13Å
328D97Very high97.6Very high121 Ų12192.3 Ų92.365%0.64747%0.466SS*.  trans-110.484.1175.4-171.437000109Y326Y326-D328 PolarHBondContact O-N 3.13Å; Y326-D328 VanDerWaalsContact O-N 3.17Å
329L96.6Very high97.5Very high146 Ų14699.2 Ų99.276%0.76450%0.502SS*.  trans-106.6146.7-179.1-63.5170.7000109.6
330A97.5Very high97.4Very high91 Ų91100.9 Ų100.975%0.75252%0.519SS*.PPolyproline II helixtrans-59154.2164.600000110.4L332A330-L332 PolarHBondContact O-N 3Å
331M97.1Very high97.2Very high164 Ų164102.8 Ų102.881%0.80855%0.545SS*.PPolyproline II helixtrans-59.5138.6175.2-175.4170.1174.700110E333M331-E333 PolarHBondContact O-N 3.39Å
332L97.9Very high96.9Very high168 Ų168110 Ų11088%0.8858%0.576SS**PPolyproline II helixtrans-70.3119.4176.7-66.5179.3000109.7A330A330-L332 PolarHBondContact O-N 3Å
333E97.4Very high96.7Very high168 Ų168113.5 Ų113.579%0.78561%0.605SS**  trans-121.8153.5177.3-66.5178.7-172.800109.4M331 D335M331-E333 PolarHBondContact O-N 3.39Å; E333-D335 PolarHBondContact O-N 3.32Å
334K97.7Very high96.3Very high140 Ų140120 Ų12061%0.60963%0.629SS**  trans-65.3132.9167.3-69.5-179.5169.1-164.70108.2W338K334-W338 HydrophobicContact CB-CB 3.96Å; K334-W338 HydrophobicContact CB-CD2 3.9Å; K334-W338 HydrophobicContact CB-CE3 4.12Å; K334-W338 HydrophobicContact CB-CG 3.81Å; K334-W338 HydrophobicContact CD-CD2 3.92Å; K334-W338 HydrophobicContact CD-CG 3.73Å; K334-W338 HydrophobicContact CG-CD2 3.65Å; K334-W338 HydrophobicContact CG-CE3 4.03Å; K334-W338 HydrophobicContact CG-CG 3.85Å; K334-W338 HydrophobicContact CG-CZ2 4.46Å
335D96.9Very high96.1Very high94 Ų94116.6 Ų116.650%0.50362%0.623SS.*  trans-70.7169.2177.567.274.5000112.1E333 Y337 W338E333-D335 PolarHBondContact O-N 3.32Å; D335-Y337 PolarHBondContact O-N 2.97Å; D335-Y337 VanDerWaalsContact O-N 3.13Å; D335-Y337 VanDerWaalsContact OD1-C 3.26Å; D335-Y337 VanDerWaalsContact OD1-CA 3.29Å; D335-Y337 WeakPolarHBondContact OD1-CA 3.39Å; D335-Y337 PolarHBondContact OD1-N 3.13Å; D335-W338 WeakPolarHBondContact O-CB 3.29Å; D335-W338 PolarHBondContact O-N 3.27Å; D335-W338 PolarHBondContact OD1-N 2.96Å; D335-W338 VanDerWaalsContact OD1-N 3.11Å
336L97.4Very high95.8Very high152 Ų152116.8 Ų116.880%0.79663%0.632SS**THydrogen-bonded Turntrans-59.6-24-177.7-179.161.7000113.6
337Y96.9Very high95.6Very high68 Ų68121.1 Ų121.127%0.26765%0.65SS.*THydrogen-bonded Turntrans-108.615.8-175.1-55.8-74.7000112.4D335 D339 A340 A343 R344 A345D335-Y337 PolarHBondContact O-N 2.97Å; D335-Y337 VanDerWaalsContact O-N 3.13Å; D335-Y337 VanDerWaalsContact OD1-C 3.26Å; D335-Y337 VanDerWaalsContact OD1-CA 3.29Å; D335-Y337 WeakPolarHBondContact OD1-CA 3.39Å; D335-Y337 PolarHBondContact OD1-N 3.13Å; Y337-D339 VanDerWaalsContact C-N 3.32Å; Y337-D339 PolarHBondContact O-N 3.02Å; Y337-A340 WeakPolarHBondContact O-CB 3.48Å; Y337-A340 PolarHBondContact O-N 3.43Å; Y337-A343 HydrophobicContact CD1-CB 4.22Å; Y337-A343 HydrophobicContact CD2-CB 4.02Å; Y337-A343 HydrophobicContact CG-CB 3.7Å; Y337-R344 WeakPolarHBondContact CE1-O 3.49Å; Y337-R344 PolarHBondContact OH-O 2.9Å; Y337-R344 VanDerWaalsContact OH-O 3.06Å; Y337-A345 WeakPolarHBondContact OH-CA 3.37Å
338W96.9Very high95.7Very high145 Ų145121.3 Ų121.355%0.54965%0.654SS.*THydrogen-bonded Turntrans-51.7-43.5-171.1-178.9-92.1000114.8K334 D335K334-W338 HydrophobicContact CB-CB 3.96Å; K334-W338 HydrophobicContact CB-CD2 3.9Å; K334-W338 HydrophobicContact CB-CE3 4.12Å; K334-W338 HydrophobicContact CB-CG 3.81Å; K334-W338 HydrophobicContact CD-CD2 3.92Å; K334-W338 HydrophobicContact CD-CG 3.73Å; K334-W338 HydrophobicContact CG-CD2 3.65Å; K334-W338 HydrophobicContact CG-CE3 4.03Å; K334-W338 HydrophobicContact CG-CG 3.85Å; K334-W338 HydrophobicContact CG-CZ2 4.46Å; D335-W338 WeakPolarHBondContact O-CB 3.29Å; D335-W338 PolarHBondContact O-N 3.27Å; D335-W338 PolarHBondContact OD1-N 2.96Å; D335-W338 VanDerWaalsContact OD1-N 3.11Å
339D96.6Very high95.6Very high146 Ų146120.3 Ų120.378%0.78166%0.663SS**THydrogen-bonded Turntrans-100.64.6179.2-60.9-53.9000112.8Y337Y337-D339 VanDerWaalsContact C-N 3.32Å; Y337-D339 PolarHBondContact O-N 3.02Å
340A95.3Very high95.4Very high50 Ų50117.2 Ų117.241%0.41366%0.658SS.*  trans-91.5127.2-179.500000110.9Y337 E342Y337-A340 WeakPolarHBondContact O-CB 3.48Å; Y337-A340 PolarHBondContact O-N 3.43Å; A340-E342 PolarHBondContact O-N 3.46Å
341A94.1Very high95.3Very high112 Ų112115.2 Ų115.293%0.92664%0.636SS**SBendtrans-64.6-28.3176.100000112.9
342E93Very high95Very high163 Ų163109.4 Ų109.476%0.76261%0.614SS**SBendtrans-123.9105.1178.8-65.7-174.8-175.200111.1A340 R344A340-E342 PolarHBondContact O-N 3.46Å; E342-R344 PolarHBondContact O-N 3.48Å; E342-R344 VanDerWaalsContact O-N 3.1Å
343A94.1Very high94.5Very high73 Ų73107.3 Ų107.360%0.60360%0.598SS**  trans-79.588.8176.300000111.3Y337Y337-A343 HydrophobicContact CD1-CB 4.22Å; Y337-A343 HydrophobicContact CD2-CB 4.02Å; Y337-A343 HydrophobicContact CG-CB 3.7Å
344R89.7Confident93.8Very high157 Ų157103.4 Ų103.459%0.59258%0.582SS**  trans-106.1113.8178.3-167.5174-169.9141.75.6112.3Y337 E342Y337-R344 WeakPolarHBondContact CE1-O 3.49Å; Y337-R344 PolarHBondContact OH-O 2.9Å; Y337-R344 VanDerWaalsContact OH-O 3.06Å; E342-R344 PolarHBondContact O-N 3.48Å; E342-R344 VanDerWaalsContact O-N 3.1Å
345A93.8Very high92.9Very high61 Ų61100.3 Ų100.350%0.50457%0.572SS.*  trans-64.1140.8171.400000111.7Y337 Y347Y337-A345 WeakPolarHBondContact OH-CA 3.37Å; A345-Y347 WeakPolarHBondContact O-CD2 3.41Å
346P92.8Very high92.1Very high118 Ų118103.4 Ų103.477%0.76658%0.584SS**  trans-69.5153.2177.329.6-34.9000111.6
347Y93.6Very high91.5Very high120 Ų120102.8 Ų102.847%0.47158%0.577SS.*  trans-107.2142.9176.5-75.9-113.7000110.2A345 L355A345-Y347 WeakPolarHBondContact O-CD2 3.41Å; Y347-L355 HydrophobicContact CD1-CD2 4.24Å; Y347-L355 HydrophobicContact CD1-CG 4.28Å; Y347-L355 HydrophobicContact CD2-CD1 4.32Å; Y347-L355 HydrophobicContact CD2-CD2 3.61Å; Y347-L355 HydrophobicContact CD2-CG 4.24Å; Y347-L355 HydrophobicContact CE1-CD2 4.21Å; Y347-L355 HydrophobicContact CE2-CD2 3.56Å; Y347-L355 HydrophobicContact CG-CD1 4.16Å; Y347-L355 HydrophobicContact CG-CD2 3.96Å; Y347-L355 HydrophobicContact CG-CG 4.1Å
348T96.4Very high91Very high91 Ų91105 Ų10556%0.55860%0.599SS**  trans-70.2158.6169.766.80000110.7A350 T351 A352T348-A350 PolarHBondContact O-N 2.92Å; T348-A350 VanDerWaalsContact O-N 3.16Å; T348-T351 PolarHBondContact N-OG1 3.23Å; T348-T351 PolarHBondContact O-N 2.88Å; T348-T351 PolarHBondContact O-OG1 3.14Å; T348-T351 PolarHBondContact OG1-OG1 2.84Å; T348-T351 VanDerWaalsContact OG1-OG1 3.1Å; T348-A352 PolarHBondContact O-N 3.29Å
349A95.2Very high90.6Very high100 Ų100102.6 Ų102.683%0.82660%0.604SS**G310 helixtrans-54.8-35.8176.400000112.9T351 A352A349-T351 PolarHBondContact O-N 2.87Å; A349-A352 PolarHBondContact O-N 2.61Å
350A94.1Very high90.3Very high80 Ų80103.6 Ų103.666%0.66160%0.602SS**G310 helixtrans-66.3-22.417900000113.8T348 F353T348-A350 PolarHBondContact O-N 2.92Å; T348-A350 VanDerWaalsContact O-N 3.16Å; A350-F353 WeakPolarHBondContact O-CD1 3.49Å; A350-F353 VanDerWaalsContact O-CE1 3.22Å; A350-F353 WeakPolarHBondContact O-CE1 3.39Å
351T94.2Very high90.2Very high50 Ų50107.2 Ų107.231%0.30761%0.61SS.*G310 helixtrans-1140.2-178.154.30000113.5T348 A349 F353 L354T348-T351 PolarHBondContact N-OG1 3.23Å; T348-T351 PolarHBondContact O-N 2.88Å; T348-T351 PolarHBondContact O-OG1 3.14Å; T348-T351 PolarHBondContact OG1-OG1 2.84Å; T348-T351 VanDerWaalsContact OG1-OG1 3.1Å; A349-T351 PolarHBondContact O-N 2.87Å; T351-F353 PolarHBondContact O-N 2.85Å; T351-L354 WeakPolarHBondContact O-CB 3.42Å; T351-L354 PolarHBondContact O-N 3.33Å
352A90.8Very high90Very high41 Ų41102.9 Ų102.934%0.33958%0.577SS.*G310 helixtrans-60.2-30-17800000113.3T348 A349 L354 L355T348-A352 PolarHBondContact O-N 3.29Å; A349-A352 PolarHBondContact O-N 2.61Å; A352-L354 PolarHBondContact O-N 2.84Å; A352-L355 VanDerWaalsContact O-CB 3.25Å; A352-L355 WeakPolarHBondContact O-CB 3.48Å; A352-L355 WeakPolarHBondContact O-CG 3.43Å; A352-L355 PolarHBondContact O-N 3.29Å
353F87.4Confident90Very high125 Ų12599.9 Ų99.955%0.54857%0.574SS.*G310 helixtrans-61.5-23.9176.975.1-88.3000113.2A350 T351 L355 Q356A350-F353 WeakPolarHBondContact O-CD1 3.49Å; A350-F353 VanDerWaalsContact O-CE1 3.22Å; A350-F353 WeakPolarHBondContact O-CE1 3.39Å; T351-F353 PolarHBondContact O-N 2.85Å; F353-L355 PolarHBondContact O-N 3.26Å; F353-Q356 WeakPolarHBondContact O-CB 3.36Å; F353-Q356 PolarHBondContact O-N 3.06Å
354L82.7Confident89.8Confident86 Ų86100.5 Ų100.545%0.4557%0.57SS.*G310 helixtrans-68.5-24.9176.6-65.4172.2000112.3T351 A352 Q356 Q357T351-L354 WeakPolarHBondContact O-CB 3.42Å; T351-L354 PolarHBondContact O-N 3.33Å; A352-L354 PolarHBondContact O-N 2.84Å; L354-Q356 PolarHBondContact O-N 3.28Å; L354-Q357 WeakPolarHBondContact O-CB 3.43Å; L354-Q357 PolarHBondContact O-N 2.94Å
355L79.1Confident89.5Confident74 Ų7499.9 Ų99.939%0.38757%0.572SS.*G310 helixtrans-66.1-18.9177.4-63.1169.7000113Y347 A352 F353 Q357Y347-L355 HydrophobicContact CD1-CD2 4.24Å; Y347-L355 HydrophobicContact CD1-CG 4.28Å; Y347-L355 HydrophobicContact CD2-CD1 4.32Å; Y347-L355 HydrophobicContact CD2-CD2 3.61Å; Y347-L355 HydrophobicContact CD2-CG 4.24Å; Y347-L355 HydrophobicContact CE1-CD2 4.21Å; Y347-L355 HydrophobicContact CE2-CD2 3.56Å; Y347-L355 HydrophobicContact CG-CD1 4.16Å; Y347-L355 HydrophobicContact CG-CD2 3.96Å; Y347-L355 HydrophobicContact CG-CG 4.1Å; A352-L355 VanDerWaalsContact O-CB 3.25Å; A352-L355 WeakPolarHBondContact O-CB 3.48Å; A352-L355 WeakPolarHBondContact O-CG 3.43Å; A352-L355 PolarHBondContact O-N 3.29Å; F353-L355 PolarHBondContact O-N 3.26Å; L355-Q357 PolarHBondContact O-N 3.4Å
356Q79.6Confident88.9Confident160 Ų160104.4 Ų104.475%0.74859%0.588SS**G310 helixtrans-78.7-11.7179.1-60175.7-8.400112.3F353 L354F353-Q356 WeakPolarHBondContact O-CB 3.36Å; F353-Q356 PolarHBondContact O-N 3.06Å; L354-Q356 PolarHBondContact O-N 3.28Å
357Q86.1Confident88.5Confident139 Ų139103.8 Ų103.865%0.6558%0.577SS**SBendtrans-79.9128.8175.5-59.7-63.3-43.800109.2L354 L355L354-Q357 WeakPolarHBondContact O-CB 3.43Å; L354-Q357 PolarHBondContact O-N 2.94Å; L355-Q357 PolarHBondContact O-N 3.4Å
358P85.8Confident87.8Confident115 Ų115102.7 Ų102.775%0.74759%0.592SS**PPolyproline II helixtrans-64149.4175.427.6-33.8000110.4F360P358-F360 PolarHBondContact O-N 2.94Å
359S88.9Confident87.1Confident93 Ų93103.1 Ų103.165%0.6559%0.591SS**PPolyproline II helixtrans-61.4123.8173-177.90000109.5Q361S359-Q361 PolarHBondContact O-N 3.43Å; S359-Q361 VanDerWaalsContact O-N 3.14Å; S359-Q361 PolarHBondContact OG-NE2 2.98Å
360F90.6Very high86.5Confident168 Ų168100.9 Ų100.974%0.73757%0.573SS**  trans-69.3109.5175.9177.8-106.7000109.7P358P358-F360 PolarHBondContact O-N 2.94Å
361Q91.8Very high85.8Confident125 Ų125105.2 Ų105.258%0.58458%0.577SS**  trans-88.9-24.2179-60.3-58.9-35.300112.5S359 F365S359-Q361 PolarHBondContact O-N 3.43Å; S359-Q361 VanDerWaalsContact O-N 3.14Å; S359-Q361 PolarHBondContact OG-NE2 2.98Å; Q361-F365 VanDerWaalsContact C-CD2 3.5Å; Q361-F365 VanDerWaalsContact C-CE2 3.48Å; Q361-F365 HydrophobicContact CB-CD1 4.15Å; Q361-F365 HydrophobicContact CB-CD2 3.66Å; Q361-F365 HydrophobicContact CB-CE1 4.22Å; Q361-F365 HydrophobicContact CB-CE2 3.76Å; Q361-F365 HydrophobicContact CB-CG 3.86Å; Q361-F365 HydrophobicContact CB-CZ 4.03Å; Q361-F365 WeakPolarHBondContact O-CD2 3.5Å; Q361-F365 WeakPolarHBondContact O-CE2 3.49Å
362G91.1Very high85Confident21 Ų21110.5 Ų110.522%0.21660%0.598CS.*  trans139.3153.5-177.700000111.4T364 F365G362-T364 PolarHBondContact O-N 3.34Å; G362-T364 VanDerWaalsContact O-N 3.17Å; G362-F365 PolarHBondContact O-N 2.84Å
363S91.8Very high84.4Confident101 Ų101114.2 Ų114.271%0.70661%0.612SS**THydrogen-bonded Turntrans-67.4-16.6-175.757.30000114.2
364T90.1Very high84Confident86 Ų86113.2 Ų113.253%0.52861%0.61SS.*THydrogen-bonded Turntrans-89.8-10.1-17655.10000113.6G362 D366 I367G362-T364 PolarHBondContact O-N 3.34Å; G362-T364 VanDerWaalsContact O-N 3.17Å; T364-D366 PolarHBondContact O-N 3.18Å; T364-I367 HydrophobicContact CG2-CD1 3.86Å; T364-I367 VanDerWaalsContact O-CB 3.25Å; T364-I367 WeakPolarHBondContact O-CB 2.8Å; T364-I367 WeakPolarHBondContact O-CG1 3.49Å; T364-I367 PolarHBondContact O-N 3.26Å
365F83.6Confident83.9Confident144 Ų144116.2 Ų116.263%0.63262%0.622SS**THydrogen-bonded Turntrans-68.5-19.8-177-80.6-94.3000113.5Q361 G362 I367Q361-F365 VanDerWaalsContact C-CD2 3.5Å; Q361-F365 VanDerWaalsContact C-CE2 3.48Å; Q361-F365 HydrophobicContact CB-CD1 4.15Å; Q361-F365 HydrophobicContact CB-CD2 3.66Å; Q361-F365 HydrophobicContact CB-CE1 4.22Å; Q361-F365 HydrophobicContact CB-CE2 3.76Å; Q361-F365 HydrophobicContact CB-CG 3.86Å; Q361-F365 HydrophobicContact CB-CZ 4.03Å; Q361-F365 WeakPolarHBondContact O-CD2 3.5Å; Q361-F365 WeakPolarHBondContact O-CE2 3.49Å; G362-F365 PolarHBondContact O-N 2.84Å; F365-I367 VanDerWaalsContact C-N 3.32Å
366D81.5Confident83.9Confident155 Ų155122.2 Ų122.283%0.82965%0.645SS**THydrogen-bonded Turntrans-86.2-3.2172.8-62.6-30.1000112.7T364 A368T364-D366 PolarHBondContact O-N 3.18Å; D366-A368 PolarHBondContact O-N 2.96Å; D366-A368 VanDerWaalsContact O-N 3.16Å
367I83.6Confident83.7Confident106 Ų106123.7 Ų123.754%0.54465%0.652SS.*  trans-78.3102.9178.4-58.3175.9000108.6T364 F365 L369T364-I367 HydrophobicContact CG2-CD1 3.86Å; T364-I367 VanDerWaalsContact O-CB 3.25Å; T364-I367 WeakPolarHBondContact O-CB 2.8Å; T364-I367 WeakPolarHBondContact O-CG1 3.49Å; T364-I367 PolarHBondContact O-N 3.26Å; F365-I367 VanDerWaalsContact C-N 3.32Å; I367-L369 HydrophobicContact CG2-CD2 4.43Å; I367-L369 HydrophobicContact CG2-CG 4.49Å
368A79.2Confident82.7Confident96 Ų96127 Ų12779%0.79366%0.659SS**  trans-83.8115.5168.300000109.9D366D366-A368 PolarHBondContact O-N 2.96Å; D366-A368 VanDerWaalsContact O-N 3.16Å
369L83Confident81.7Confident100 Ų100129.4 Ų129.452%0.52466%0.664SS.*  trans-87.1144.5169-69.1173000110I367 M374I367-L369 HydrophobicContact CG2-CD2 4.43Å; I367-L369 HydrophobicContact CG2-CG 4.49Å; L369-M374 HydrophobicContact CB-CG 3.62Å; L369-M374 HydrophobicContact CB-SD 4.36Å; L369-M374 HydrophobicContact CD1-CG 4.46Å
370A81.3Confident80Confident54 Ų54131.9 Ų131.945%0.44667%0.67SS.*  trans-63147.2171.200000109.4E372 D373 M374A370-E372 PolarHBondContact O-N 3.26Å; A370-D373 PolarHBondContact O-N 3.32Å; A370-M374 WeakPolarHBondContact O-CG 3.23Å; A370-M374 PolarHBondContact O-N 3.48Å; A370-M374 VanDerWaalsContact O-N 3.1Å
371K78.9Confident78.6Confident171 Ų171127.3 Ų127.374%0.74367%0.67SS**THydrogen-bonded Turntrans-56.3-28-178-72.8-175.5177.8-178.20113.7M374K371-M374 HydrophobicContact CB-CE 4.12Å; K371-M374 HydrophobicContact CG-CE 3.64Å
372E78.6Confident76.8Confident161 Ų161127.4 Ų127.475%0.75268%0.679SS**THydrogen-bonded Turntrans-69.4-42.9177.2-62.1168.6-151.200111.1A370 M374 Q375A370-E372 PolarHBondContact O-N 3.26Å; E372-M374 VanDerWaalsContact C-N 3.29Å; E372-M374 PolarHBondContact O-N 3.3Å; E372-Q375 PolarHBondContact O-N 3.32Å
373D78.5Confident74.9Confident118 Ų118134.8 Ų134.863%0.63171%0.713SS**THydrogen-bonded Turntrans-75.6-16.4177.7-57.3-36.3000113A370 Q375A370-D373 PolarHBondContact O-N 3.32Å; D373-Q375 VanDerWaalsContact C-N 3.32Å
374M78.4Confident72.5Confident104 Ų104133.2 Ų133.251%0.51271%0.713SS.*THydrogen-bonded Turntrans-81.9-8.7175-68.7-167.1-71.100113.2L369 A370 K371 E372 F376L369-M374 HydrophobicContact CB-CG 3.62Å; L369-M374 HydrophobicContact CB-SD 4.36Å; L369-M374 HydrophobicContact CD1-CG 4.46Å; A370-M374 WeakPolarHBondContact O-CG 3.23Å; A370-M374 PolarHBondContact O-N 3.48Å; A370-M374 VanDerWaalsContact O-N 3.1Å; K371-M374 HydrophobicContact CB-CE 4.12Å; K371-M374 HydrophobicContact CG-CE 3.64Å; E372-M374 VanDerWaalsContact C-N 3.29Å; E372-M374 PolarHBondContact O-N 3.3Å; M374-F376 PolarHBondContact O-N 2.92Å
375Q81.4Confident70.3Confident149 Ų149135.3 Ų135.370%0.69673%0.728SS**SBendtrans-74.1124.4178.9-64.1-176.3500110E372 D373 Q377E372-Q375 PolarHBondContact O-N 3.32Å; D373-Q375 VanDerWaalsContact C-N 3.32Å; Q375-Q377 PolarHBondContact O-N 3.44Å; Q375-Q377 VanDerWaalsContact O-N 3.14Å
376F78.6Confident68.7Low201 Ų201137.8 Ų137.888%0.88275%0.747SS**  trans-65115.3169.4-67.1-73.3000109M374 R378M374-F376 PolarHBondContact O-N 2.92Å; F376-R378 PolarHBondContact O-N 3.49Å
377Q75.4Confident66.5Low191 Ų191133.6 Ų133.689%0.89374%0.741SS**  trans-68.7104.9171.3-156.4167.633.200107.6Q375 L379Q375-Q377 PolarHBondContact O-N 3.44Å; Q375-Q377 VanDerWaalsContact O-N 3.14Å; Q377-L379 PolarHBondContact O-N 2.96Å
378R64.8Low64.5Low209 Ų209137.9 Ų137.979%0.78976%0.759SS**  trans-64.6124.4169.6-84.7-173.5170.4158.1-1.9107.9F376 D380F376-R378 PolarHBondContact O-N 3.49Å; R378-D380 PolarHBondContact O-N 3.32Å
379L65.4Low62.6Low165 Ų165138.3 Ų138.386%0.86476%0.762SS**  trans-7374.9165.1-79.9160.1000108.1Q377 G381Q377-L379 PolarHBondContact O-N 2.96Å; L379-G381 PolarHBondContact O-N 3.03Å; L379-G381 VanDerWaalsContact O-N 3.12Å
380D52.8Low60.6Low145 Ų145142.6 Ų142.678%0.77578%0.779SS**  trans-75.797.7170-70.7-24.9000107.8R378R378-D380 PolarHBondContact O-N 3.32Å
381G60.5Low59Low71 Ų71143.2 Ų143.273%0.73279%0.79SS**  trans141.446.1169.200000117.8L379L379-G381 PolarHBondContact O-N 3.03Å; L379-G381 VanDerWaalsContact O-N 3.12Å
382V55Low57.3Low127 Ų127141.6 Ų141.677%0.7779%0.79SS**  trans-121.161.4161.2-169.10000109.7
383D50.3Low55.6Low176 Ų176142.3 Ų142.394%0.94179%0.791SS**  trans-142.187.4156.8-86-38.3000107.2
384G41.1Very low53.8Low68 Ų68143.6 Ų143.670%0.70180%0.797SS**SBendtrans174.7139177.100000111.8
385P43.7Very low52.2Low130 Ų130146.4 Ų146.484%0.84481%0.809SS**  trans-73149.9-144.728.4-34.6000115.6G387P385-G387 PolarHBondContact O-N 3.48Å
386L50.1Low50.4Low196 Ų196150.8 Ų150.8100%1.02682%0.819SS**  trans-51.9102.1167.4-81.2155.4000110.9
387G35.3Very low48.8Very low68 Ų68147.2 Ų147.270%0.70181%0.808SS**  trans-158.2105.6174.200000111.1P385P385-G387 PolarHBondContact O-N 3.48Å
388E43.3Very low47Very low196 Ų196145.2 Ų145.292%0.91680%0.803SS**  trans33.2104.1158.9-66-176.3143.600119.2
389A37.7Very low46.2Very low104 Ų104141.4 Ų141.486%0.8681%0.805SS**  trans-151.1117.1139.200000110.5
390H41.2Very low44.9Very low191 Ų191138.6 Ų138.688%0.88481%0.806SS**  trans-61.6142.3178.8-99.950.5000113.4
391G47.4Very low43.8Very low66 Ų66135.2 Ų135.268%0.6881%0.805SS**  60.591.3129.200000118.2
392D43.9Very low42.4Very low138 Ų138137.3 Ų137.374%0.73882%0.815SS**  trans-159.920.4152.3-104.6-13.8000114.7
393F43.5Very low41.2Very low176 Ų176134.6 Ų134.677%0.77281%0.813SS**SBendtrans-90.7-23.1177.8-165.6-106.2000113.3
394L41.1Very low40.2Very low145 Ų145132.6 Ų132.676%0.75981%0.807SS**THydrogen-bonded Turntrans-91.93.8-174.5-71.7176.3000115
395Q43Very low39.6Very low162 Ų162136.4 Ų136.476%0.75782%0.817SS**THydrogen-bonded Turntrans-100.4-3.1-179.2-140.7158.314.500114.5
396R45.3Very low38.8Very low241 Ų241133.4 Ų133.491%0.90981%0.81SS**SBendtrans-93.3-1173.2-87.9-177177.3165.91114.9
397L44.8Very low38.4Very low127 Ų127129.9 Ų129.967%0.66580%0.799SS**SBendtrans-116.715.7-170.6-74.1169.8000115.2
398L37Very low38.2Very low149 Ų149135.1 Ų135.178%0.7881%0.81SS**  trans-116.2131.7173.2-71.4173.4000112.4A400L398-A400 PolarHBondContact O-N 3.45Å
399P47.4Very low37.5Very low129 Ų129129.5 Ų129.584%0.83880%0.804SS**  trans-83.8108.7171.832-27.2000109.4
400A37.7Very low37.3Very low105 Ų105136 Ų13687%0.86881%0.806SS**  trans-94.1121.217100000110L398L398-A400 PolarHBondContact O-N 3.45Å
401G31Very low36.9Very low74 Ų74138.7 Ų138.776%0.76381%0.809SS**  trans-91.4169.2-17600000115.8
402A31.7Very low36.2Very low115 Ų115143 Ų14395%0.9582%0.815SS**  trans68.8115.7149.600000120.3
403G28.2Very low35.6Very low70 Ų70142 Ų14272%0.72282%0.819SS**  trans-177.464.7166.400000115.4
404T29.4Very low35.1Very low134 Ų134141.5 Ų141.582%0.82282%0.824SS**  trans54.3113.814651.40000124.2
405V28.7Very low34.8Very low148 Ų148143.1 Ų143.190%0.89783%0.833SS**  66.2107129.6-166.80000121.2
406G27.8Very low34.1Very low68 Ų68145.9 Ų145.970%0.70184%0.836SS**  140.6159.1119.200000114.6
407P41Very low33.6Very low122 Ų122145.7 Ų145.779%0.79284%0.835SS**  -121.1176.6-114.132.1-17.1000118.5
408L31Very low32.7Very low177 Ų177148.1 Ų148.193%0.92784%0.84SS**  trans94.4117.6158.6-74.7126.3000120.1
409G28.9Very low32.5Very low78 Ų78148.1 Ų148.180%0.80484%0.841SS**  trans15260155.600000116.9R411G409-R411 PolarHBondContact O-N 3.38Å
410R33.8Very low31.6Very low240 Ų240147.3 Ų147.391%0.90684%0.839SS**  trans-63.2122.3168.2-91-179.7172.6178.7-2.3110.6
411R31.8Very low31Very low248 Ų248148.3 Ų148.394%0.93684%0.838SS**  trans-133.3106.6148-84.9-167.2-177.3-145.12109.6G409G409-R411 PolarHBondContact O-N 3.38Å
412L33.4Very low31.2Very low156 Ų156150.9 Ų150.982%0.81784%0.839SS**  trans-79.8119.1163.4-83150.4000107.9
413S31.9Very low30.9Very low117 Ų117151.3 Ų151.382%0.81883%0.834SS**  trans-91.2102.816640.40000109.6L415S413-L415 PolarHBondContact O-N 3.12Å
414L32.5Very low31Very low166 Ų166156.8 Ų156.887%0.86984%0.841SS**  trans-62.3121.1164-81.9148.3000109.9R416L414-R416 PolarHBondContact O-N 3.47Å
415L34.3Very low30.8Very low180 Ų180154.7 Ų154.794%0.94284%0.838SS**  trans-75.7108.5168.1-83.9165000109.6S413 R417S413-L415 PolarHBondContact O-N 3.12Å; L415-R417 PolarHBondContact O-N 2.86Å
416R29.1Very low30.8Very low220 Ų220153.7 Ų153.783%0.8384%0.837SS**  trans-76.1110.1-179.2-174.3178.2-176.3177.42110.1L414 K418L414-R416 PolarHBondContact O-N 3.47Å; R416-K418 PolarHBondContact O-N 2.94Å
417R33.3Very low30.8Very low236 Ų236157.1 Ų157.189%0.89185%0.845SS**  trans-65.4117167.5-156.9177.5-168.6-179.23.3108.7L415L415-R417 PolarHBondContact O-N 2.86Å
418K26.9Very low30.1Very low178 Ų178156.1 Ų156.177%0.77485%0.846SS**  trans-100.5109.8170.1-117.9-178.9177.8-176.30108R416R416-K418 PolarHBondContact O-N 2.94Å
419N32.1Very low29.8Very low149 Ų149152.3 Ų152.380%0.79784%0.841SS**  trans-64.6133.3153.1-75.4-10.1000107.2
420S28.3Very low29.6Very low113 Ų113153.9 Ų153.979%0.7984%0.84SS**  trans-136.2120.7158.758.80000110.4
421C27.1Very low29.2Very low125 Ų125149.1 Ų149.185%0.84584%0.841SS**  trans-59.4158.5165.8-62.60000112.1
422V33.7Very low29Very low129 Ų129140.4 Ų140.478%0.78283%0.828SS**  trans-34.3137.9162.5-178.70000114.1
423S26.6Very low28.6Very low123 Ų123139.7 Ų139.786%0.8684%0.835SS**  trans-151.1141.8146.3-74.90000109.7
424E28.8Very low28.4Very low185 Ų185139.4 Ų139.486%0.86484%0.84SS**  trans-77.1170-164.4-65.9171.712800115.7
425A26.6Very low28.3Very low91 Ų91135.4 Ų135.475%0.75284%0.838SS**  trans99.8102.1142.900000118.7
426S27.2Very low28Very low126 Ų126133.6 Ų133.688%0.88184%0.835SS**  -146.9101.1129.1-45.70000109.6
427T28.6Very low28Very low141 Ų141127.5 Ų127.587%0.86583%0.832SS**  trans-55.6137.1159.337.70000110.7
428A26.1Very low27.7Very low100 Ų100123.5 Ų123.583%0.82683%0.828SS**  179.6160.78200000107.6
429A25.9Very low27.8Very low97 Ų97120.7 Ų120.780%0.80283%0.831SS**  cis-147154.813.700000110.3
430S24.7Very low27.6Very low112 Ų112117.2 Ų117.278%0.78383%0.831SS**  trans-54.3145.9178.352.50000116
431C24.9Very low27.7Very low139 Ų139115.7 Ų115.794%0.93983%0.833SS**  -142.1111.6122.5-138.70000108.3
432G26.3Very low27.8Very low65 Ų65116.7 Ų116.767%0.6783%0.834SS**  trans-107.7147.1175.100000109.8
433C26.4Very low27.5Very low141 Ų141119.1 Ų119.195%0.95384%0.837SS**  trans-140.7114.9152-85.90000107.1
434A27.8Very low27.6Very low112 Ų112119.8 Ų119.893%0.92684%0.84SS**  trans-129.9132.7164.600000107.2
435G28.8Very low27.4Very low81 Ų81116.4 Ų116.484%0.83584%0.837SS**  trans172.3115.6172.900000111.6
436T28.2Very low27.6Very low143 Ų143118.3 Ų118.388%0.87784%0.844SS**  trans-89.2157.7-163.842.30000116.1
437A29.4Very low27.6Very low91 Ų91115.8 Ų115.875%0.75284%0.837SS**  trans83.1130.2147.400000121.4
438D26.9Very low27.7Very low152 Ų152118.2 Ų118.281%0.81384%0.839SS**  trans75.7114.5161.6-70.9-8.6000122.2
439S29Very low27.9Very low119 Ų119119.3 Ų119.383%0.83284%0.837SS**SBendtrans65.3126.114967.80000119.9
440G27.9Very low28.1Very low77 Ų77122.9 Ų122.979%0.79484%0.842SS**  trans86.9123.3159.700000114.8
441G30.2Very low28.3Very low81 Ų81125.8 Ų125.884%0.83585%0.848SS**  trans-68.8153.5-174.400000114.9
442V29.6Very low28.4Very low145 Ų145125.9 Ų125.988%0.87984%0.839SS**  trans-147.7132.4158.6-179.90000108.7
443E27.9Very low28.8Very low181 Ų181128.6 Ų128.685%0.84685%0.845SS**  trans-65.5147.5175.1-69.2168.2130.100112.5
444C27.4Very low29.3Very low137 Ų137126 Ų12693%0.92683%0.828SS**  trans-129.5111157.9-81.30000109.4
445S26.4Very low29.4Very low113 Ų113129.1 Ų129.179%0.7983%0.828SS**  trans-96.1138.5172.7173.10000109.4
446C28.9Very low29.5Very low132 Ų132136.9 Ų136.989%0.89283%0.833SS**  trans-137.5130163-81.50000107.6
447G27.3Very low29.7Very low72 Ų72139 Ų13974%0.74283%0.832SS**  trans-84.9168.7-154.900000117.5
448E31.4Very low29.8Very low192 Ų192140.1 Ų140.190%0.89783%0.832SS**  trans-61.9148.7175.3-67.6-168.9139.200113.5
449P30.2Very low30Very low123 Ų123142.3 Ų142.380%0.79984%0.838SS**  trans-105.2109.6157.125.2-8.9000112
450L29.9Very low30.1Very low172 Ų172145 Ų14590%0.90184%0.842SS**  trans23.8113.8138.1-66.6162.9000119
451L28.7Very low30.5Very low174 Ų174149.8 Ų149.891%0.91184%0.843SS**  trans-64.9129.6160.6-77.4148.2000111.7
452D28.1Very low30.9Very low140 Ų140151.3 Ų151.375%0.74984%0.839SS**  trans-104.2115.3163-166.40.9000109.4S454D452-S454 PolarHBondContact O-N 2.93Å
453P35.1Very low31Very low122 Ų122150.5 Ų150.579%0.79284%0.836SS**  trans-91.673-174.335.9-32.5000111.5
454S36.2Very low31.3Very low87 Ų87148.3 Ų148.361%0.60884%0.835SS**  trans-163.293.8159.953.70000111.4D452D452-S454 PolarHBondContact O-N 2.93Å
455L29.2Very low31.5Very low177 Ų177147.7 Ų147.793%0.92783%0.831SS**  trans-173.3106.1145-96.1156.3000106.9E457L455-E457 PolarHBondContact O-N 3.12Å
456R31.8Very low32.1Very low245 Ų245148.2 Ų148.293%0.92583%0.832SS**PPolyproline II helixtrans-63.9126.7176.9-80175.6165.8165-5.9110.1
457E32Very low32.6Very low186 Ų186150.6 Ų150.687%0.86983%0.83SS**PPolyproline II helixtrans-71.7133.6158.8-67.7-178140.600109.1L455L455-E457 PolarHBondContact O-N 3.12Å
458P32.5Very low33.2Very low116 Ų116152.8 Ų152.875%0.75383%0.831SS**PPolyproline II helixtrans-78.1132.3167.228.5-27.6000110.5L460P458-L460 PolarHBondContact O-N 2.87Å
459E30.7Very low33.6Very low198 Ų198149.6 Ų149.693%0.92583%0.827SS**PPolyproline II helixtrans-53.9130.4172.8-74.1171.6127.100111.5
460L31.4Very low34.4Very low175 Ų175147.6 Ų147.692%0.91682%0.821SS**  trans-79.8113.6168.6-94.9121.3000109.8P458P458-L460 PolarHBondContact O-N 2.87Å
461E35.7Very low34.7Very low178 Ų178145.4 Ų145.483%0.83282%0.817SS**PPolyproline II helixtrans-64.6147.8164.4-75.4-169.2154.500111.4
462P38.7Very low35.1Very low113 Ų113145 Ų14573%0.73481%0.814SS**PPolyproline II helixtrans-71.4146.4178.829.4-33.5000111.6T464P462-T464 PolarHBondContact O-N 3.28Å
463P32.3Very low35.5Very low127 Ų127146.1 Ų146.183%0.82582%0.819SS**PPolyproline II helixtrans-69.9122.2-177.727.4-32.4000111.4
464T33.9Very low35.7Very low135 Ų135142.9 Ų142.983%0.82881%0.808SS**PPolyproline II helixtrans-64.3128.1166.4400000110.9P462P462-T464 PolarHBondContact O-N 3.28Å
465C32Very low35.8Very low124 Ų124145.1 Ų145.184%0.83882%0.821SS**PPolyproline II helixtrans-59.3134.4171.4-64.90000111.4
466P37.4Very low36.2Very low125 Ų125142.8 Ų142.881%0.81281%0.814SS**PPolyproline II helixtrans-75.1134.6165.9-7.323.5000110.5
467E40.5Very low36.5Very low181 Ų181136.1 Ų136.185%0.84681%0.811SS**PPolyproline II helixtrans-54.8151.7169.2-76.7-177.2139.900112.4
468P40Very low36.6Very low118 Ų118135.8 Ų135.877%0.76681%0.81SS**PPolyproline II helixtrans-70.513817829.3-32.7000110.8
469P39.8Very low36.8Very low125 Ų125135.8 Ų135.881%0.81281%0.81SS**PPolyproline II helixtrans-67.5140.4173.126-30.7000111
470A45.7Very low36.9Very low81 Ų81136.2 Ų136.267%0.66981%0.809SS**PPolyproline II helixtrans-55.3153.5171.700000112I472A470-I472 PolarHBondContact O-N 3.41Å
471P37.6Very low37Very low127 Ų127134.3 Ų134.383%0.82581%0.805SS**PPolyproline II helixtrans-65.4122.7-174.225.7-32.8000111.4L473P471-L473 PolarHBondContact O-N 3.38Å
472I35.6Very low37.1Very low165 Ų165132.2 Ų132.285%0.84680%0.804SS**PPolyproline II helixtrans-71.5119.7170-61.1172.9000107.7A470 G474A470-I472 PolarHBondContact O-N 3.41Å; I472-G474 PolarHBondContact O-N 3.25Å
473L38.2Very low37Very low163 Ų163132.9 Ų132.985%0.85381%0.806SS**PPolyproline II helixtrans-58.4118.2167.5-127.186.6000108.3P471P471-L473 PolarHBondContact O-N 3.38Å
474G38.3Very low37.3Very low55 Ų55132.1 Ų132.157%0.56780%0.801SS**PPolyproline II helixtrans-61.9153.7171.800000111.3I472 T476I472-G474 PolarHBondContact O-N 3.25Å; G474-T476 PolarHBondContact O-N 3.25Å
475P38.8Very low37.7Very low134 Ų134133.2 Ų133.287%0.8780%0.8SS**PPolyproline II helixtrans-61.2129.3175.325.4-31000109.8
476T37.6Very low38Very low128 Ų128133.1 Ų133.179%0.78580%0.798SS**PPolyproline II helixtrans-49.4134.9168.930.70000111.3G474 E478G474-T476 PolarHBondContact O-N 3.25Å; T476-E478 PolarHBondContact O-N 3.24Å
477A38.1Very low38.6Very low104 Ų104129.8 Ų129.886%0.8679%0.786SS**PPolyproline II helixtrans-59.2117.8173.600000110.7
478E34.3Very low38.7Very low180 Ų180127.7 Ų127.784%0.84179%0.789SS**PPolyproline II helixtrans-85.2147.1162.4-76.7-147.316000110.6T476T476-E478 PolarHBondContact O-N 3.24Å
479P36.3Very low38.8Very low116 Ų116133.8 Ų133.875%0.75380%0.796SS**PPolyproline II helixtrans-72.7144.8-164.328.5-33.6000112.7T481P479-T481 PolarHBondContact O-N 3Å
480F33.6Very low39.1Very low207 Ų207132 Ų13291%0.90879%0.792SS**  trans-45.1118.9171.6-75.5-92.8000111.9T482F480-T482 PolarHBondContact O-N 3.25Å
481T33.2Very low39.3Very low135 Ų135134.3 Ų134.383%0.82880%0.8SS**  trans-70.7111.1160.7-6.70000107.4P479 V483P479-T481 PolarHBondContact O-N 3Å; T481-V483 PolarHBondContact O-N 3.39Å
482T37.2Very low39.7Very low134 Ų134132 Ų13282%0.82279%0.792SS**  trans-60.9113.7172.1120000109.7F480F480-T482 PolarHBondContact O-N 3.25Å
483V36.8Very low40.5Very low127 Ų127127.7 Ų127.777%0.7777%0.774SS**PPolyproline II helixtrans-69.4128.6163.9178.30000107.6T481 I485T481-V483 PolarHBondContact O-N 3.39Å; V483-I485 PolarHBondContact O-N 3.21Å
484P38.7Very low40.6Very low111 Ų111126.4 Ų126.472%0.72178%0.776SS**PPolyproline II helixtrans-67.9130.5177.526.8-31.1000110
485I42.2Very low40.9Very low158 Ų158133.2 Ų133.281%0.8179%0.785SS**PPolyproline II helixtrans-57.5129.2170.6-62.5171000108.3V483 G487V483-I485 PolarHBondContact O-N 3.21Å; I485-G487 PolarHBondContact O-N 3.2Å
486P37.8Very low41Very low121 Ų121132.8 Ų132.879%0.78678%0.775SS**PPolyproline II helixtrans-63.9123.2168.4-13.927.5000108.9
487G50.1Low41.1Very low56 Ų56132.5 Ų132.558%0.57778%0.775SS**PPolyproline II helixtrans-58.2168.9172.500000112.9I485 R489I485-G487 PolarHBondContact O-N 3.2Å; G487-R489 PolarHBondContact O-N 3.24Å
488P42.1Very low41.4Very low137 Ų137132.6 Ų132.689%0.8977%0.769SS**PPolyproline II helixtrans-59.6133-17324-31.8000111.4A490P488-A490 PolarHBondContact O-N 3.29Å
489R42Very low41.6Very low245 Ų245130.2 Ų130.293%0.92577%0.769SS**PPolyproline II helixtrans-56.6129.6177.4-77.8178.7175.6168.3-1.5110.4G487G487-R489 PolarHBondContact O-N 3.24Å
490A48Very low41.9Very low87 Ų87133.2 Ų133.272%0.71978%0.777SS**PPolyproline II helixtrans-58.1150.8162.700000110.6P488P488-A490 PolarHBondContact O-N 3.29Å
491P48Very low41.9Very low130 Ų130126.7 Ų126.784%0.84477%0.768SS**PPolyproline II helixtrans-63.4142-176.424.9-32.1000111.7
492A47.5Very low41.9Very low80 Ų80129.8 Ų129.866%0.66177%0.773SS**PPolyproline II helixtrans-67.2145.6179.300000111.8
493P51.3Low41.9Very low73 Ų73133 Ų13347%0.47478%0.779SS.*PPolyproline II helixtrans-66.5156.817525.1-31.3000112.5W495P493-W495 PolarHBondContact O-N 3.38Å
494P41.8Very low41.8Very low136 Ų136135.8 Ų135.888%0.88378%0.784SS**THydrogen-bonded Turntrans-74.915.2-153.4-15.129.9000117.5
495W43.6Very low41.9Very low199 Ų199140.1 Ų140.175%0.75479%0.794SS**THydrogen-bonded Turntrans-125.316.4-16650.7-93.9000115.2P493P493-W495 PolarHBondContact O-N 3.38Å
496L41Very low41.5Very low125 Ų125137.8 Ų137.865%0.65479%0.792SS**SBendtrans-107.7127171.1-95.5137.1000111.2
497P39.8Very low42.3Very low121 Ų121138.1 Ų138.179%0.78679%0.794SS**PPolyproline II helixtrans-77.4137.1-179.328.8-30.9000112.4
498S43.3Very low41.9Very low107 Ų107144.1 Ų144.175%0.74884%0.838SS**PPolyproline II helixtrans-72.6150.4-179.3-56.20000113.6
499P39.3Very low41.9Very low130 Ų130144.5 Ų144.584%0.84484%0.835SS**PPolyproline II helixtrans-81.3127.3169.522.5-13.3000111.9
500I42.1Very low41.9Very low178 Ų178139.2 Ų139.291%0.91383%0.831SS**PPolyproline II helixtrans-79.7139.4165.3-61.1158.6000106.9
501G34Very low41.6Very low70 Ų70142.1 Ų142.172%0.72284%0.837SS**  cis178.3138.5-0.700000106.4
502E33.3Very low41.2Very low200 Ų200142.8 Ų142.894%0.93584%0.837SS**  trans-107.6125.6166.5-77.3-177.716000107.1
503E36.9Very low40.8Very low202 Ų202146.7 Ų146.794%0.94485%0.848SS**PPolyproline II helixtrans-73.8126.9177.4-74.1177.4146.900110.3
504E35.6Very low40.1Very low186 Ų186151.6 Ų151.687%0.86987%0.872SS**PPolyproline II helixtrans-74123.5167.8-90.5179.4139.600110.7
505E39.8Very low40Very low201 Ų201152.7 Ų152.794%0.93987%0.872SS**PPolyproline II helixtrans-66.5124.3156.4-83-178.2146.500109.6
506S34.2Very low39.7Very low109 Ų109149.2 Ų149.276%0.76288%0.881SS**PPolyproline II helixtrans-93.1146.6167.1-69.20000110.8
507P54.8Low39.6Very low129 Ų129151.2 Ų151.284%0.83890%0.9SS**PPolyproline II helixtrans-88.7136-174.534.4-31.4000112.3
508A42.5Very low39.6Very low181 Ų181153.9 Ų153.9100%1.49691%0.91SS**  trans-158.30151.600000109.8

Retrieved 508 of 508 residues in 85.4 ms (Link to these results)