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Alkylglycerol monooxygenase

Glyceryl-ether monooxygenase that cleaves the O-alkyl bond of ether lipids. Ether lipids are essential components of brain membranes.

AlphaFold DB , UniProt , Accession Q6ZNB7, Species HUMAN (Homo sapiens, Human), Gene AGMO, Length 445 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
1M33.4Very low51.8Low250 Ų250119.4 Ų119.4100%1.23262%0.616SS**  0118.20-80.9162168.300106.7N3M1-N3 PolarHBondContact O-N 3.38Å
2K34.2Very low54.9Low177 Ų177117.8 Ų117.877%0.7762%0.615SS**  trans-67.4125.7173.6-79178.8173-179.70107.4P4K2-P4 WeakPolarHBondContact O-CD 3.49Å; K2-P4 VanDerWaalsContact O-N 3.15Å
3N36Very low57.8Low80 Ų80114.2 Ų114.243%0.42861%0.606SS.*  trans-61.6114174.2-170.8-3.1000108M1 E5 A6M1-N3 PolarHBondContact O-N 3.38Å; N3-E5 PolarHBondContact O-N 2.85Å; N3-E5 VanDerWaalsContact O-N 3.1Å; N3-E5 PolarHBondContact OD1-N 3.39Å; N3-A6 PolarHBondContact O-N 3.1Å; N3-A6 VanDerWaalsContact O-N 3.09Å
4P38.2Very low60.2Low103 Ų103110.2 Ų110.267%0.66958%0.583SS**G310 helixtrans-61.5-19.7-176.121-29.1000112.8K2 Q7K2-P4 WeakPolarHBondContact O-CD 3.49Å; K2-P4 VanDerWaalsContact O-N 3.15Å; P4-Q7 PolarHBondContact O-N 3.08Å
5E38.7Very low62.2Low139 Ų139102.9 Ų102.965%0.6554%0.544SS*.G310 helixtrans-71.4-27.3175.8-67-174.9162.700113.6N3 Q7 Q8N3-E5 PolarHBondContact O-N 2.85Å; N3-E5 VanDerWaalsContact O-N 3.1Å; N3-E5 PolarHBondContact OD1-N 3.39Å; E5-Q7 PolarHBondContact O-N 2.88Å; E5-Q7 VanDerWaalsContact O-N 3.17Å; E5-Q8 PolarHBondContact O-N 2.8Å; E5-Q8 VanDerWaalsContact O-N 3.15Å
6A43.4Very low64.1Low32 Ų32102.5 Ų102.526%0.26454%0.537SS..G310 helixtrans-68.1-17.817800000112.8N3 K42N3-A6 PolarHBondContact O-N 3.1Å; N3-A6 VanDerWaalsContact O-N 3.09Å; A6-K42 PolarHBondContact O-NZ 3.4Å
7Q48.1Very low65.9Low143 Ų14399.6 Ų99.667%0.66852%0.517SS*.G310 helixtrans-936.5176.4-81.5-174.7-42.800114.4P4 E5 D9P4-Q7 PolarHBondContact O-N 3.08Å; E5-Q7 PolarHBondContact O-N 2.88Å; E5-Q7 VanDerWaalsContact O-N 3.17Å; Q7-D9 PolarHBondContact O-N 3.38Å
8Q56.5Low67.5Low143 Ų14394.1 Ų94.167%0.66849%0.488SS*.PPolyproline II helixtrans-60.4136.5171.6-104.3176.1-6.600111.4E5 V10 K42E5-Q8 PolarHBondContact O-N 2.8Å; E5-Q8 VanDerWaalsContact O-N 3.15Å; Q8-V10 PolarHBondContact O-N 3.23Å; Q8-K42 PolarHBondContact O-NZ 3.45Å
9D70.7Confident68.8Low159 Ų15989.3 Ų89.385%0.8546%0.463SS*.PPolyproline II helixtrans-57.1133.5170.8-79.3-34.4000109.3Q7 S11Q7-D9 PolarHBondContact O-N 3.38Å; D9-S11 PolarHBondContact O-N 2.8Å
10V81.8Confident70.2Confident32 Ų3289.1 Ų89.119%0.19446%0.459CS..PPolyproline II helixtrans-66.3123.4177-175.50000108.2Q8 Q14 G15 M18 K42Q8-V10 PolarHBondContact O-N 3.23Å; V10-Q14 HydrophobicContact CG1-CB 3.46Å; V10-Q14 VanDerWaalsContact CG1-CB 3.46Å; V10-G15 VanDerWaalsContact CG1-N 3.31Å; V10-M18 HydrophobicContact CB-CE 4.22Å; V10-M18 HydrophobicContact CG1-CE 3.25Å; V10-M18 HydrophobicContact CG1-SD 4.26Å; V10-M18 HydrophobicContact CG2-CE 4.04Å; V10-K42 HydrophobicContact CG2-CB 3.64Å; V10-K42 HydrophobicContact CG2-CD 3.42Å; V10-K42 VanDerWaalsContact CG2-CD 3.42Å; V10-K42 HydrophobicContact CG2-CG 4.01Å
11S89.3Confident71.4Confident55 Ų5585.7 Ų85.739%0.38544%0.44SS..PPolyproline II helixtrans-60151170.565.20000110.7D9 S13 Q14 G15D9-S11 PolarHBondContact O-N 2.8Å; S11-S13 PolarHBondContact O-N 3.21Å; S11-S13 VanDerWaalsContact O-N 3.11Å; S11-Q14 VanDerWaalsContact N-OE1 3.1Å; S11-Q14 PolarHBondContact O-N 3.16Å; S11-Q14 WeakPolarHBondContact OG-CB 3.3Å; S11-Q14 VanDerWaalsContact OG-CG 3.28Å; S11-Q14 WeakPolarHBondContact OG-CG 3.26Å; S11-Q14 PolarHBondContact OG-N 3.06Å; S11-Q14 PolarHBondContact OG-OE1 3.11Å; S11-G15 PolarHBondContact O-N 3.29Å
12V88.3Confident74.4Confident100 Ų10077.7 Ų77.761%0.60641%0.405SS*.Hα-helixtrans-51.7-40.1177.1175.90000111.7G15 F16 F46V12-G15 PolarHBondContact O-N 2.68Å; V12-F16 HydrophobicContact CG1-CD2 3.9Å; V12-F16 HydrophobicContact CG1-CE2 3.74Å; V12-F16 VanDerWaalsContact O-CD2 3.32Å; V12-F16 WeakPolarHBondContact O-CD2 3.46Å; V12-F16 PolarHBondContact O-N 3.36Å; V12-F16 VanDerWaalsContact O-N 3.08Å; V12-F46 HydrophobicContact CG1-CE1 4.44Å
13S92.4Very high77.3Confident71 Ų7169.7 Ų69.750%0.49737%0.371SS..Hα-helixtrans-62.3-45.8176.1176.50000112.9S11 G15 F16 R17S11-S13 PolarHBondContact O-N 3.21Å; S11-S13 VanDerWaalsContact O-N 3.11Å; S13-G15 VanDerWaalsContact C-N 3.31Å; S13-F16 PolarHBondContact O-N 3.33Å; S13-R17 WeakPolarHBondContact O-CG 3.12Å; S13-R17 PolarHBondContact O-N 2.8Å
14Q92Very high80.2Confident59 Ų5971.6 Ų71.628%0.27638%0.376SS..Hα-helixtrans-64-39.1174.8-74166.1-41.400110.9V10 S11 F16 R17 M18 M23V10-Q14 HydrophobicContact CG1-CB 3.46Å; V10-Q14 VanDerWaalsContact CG1-CB 3.46Å; S11-Q14 VanDerWaalsContact N-OE1 3.1Å; S11-Q14 PolarHBondContact O-N 3.16Å; S11-Q14 WeakPolarHBondContact OG-CB 3.3Å; S11-Q14 VanDerWaalsContact OG-CG 3.28Å; S11-Q14 WeakPolarHBondContact OG-CG 3.26Å; S11-Q14 PolarHBondContact OG-N 3.06Å; S11-Q14 PolarHBondContact OG-OE1 3.11Å; Q14-F16 PolarHBondContact O-N 3.37Å; Q14-R17 PolarHBondContact O-N 3.01Å; Q14-R17 VanDerWaalsContact O-N 3.17Å; Q14-M18 WeakPolarHBondContact O-CB 3.34Å; Q14-M18 VanDerWaalsContact O-CG 3.24Å; Q14-M18 WeakPolarHBondContact O-CG 3.28Å; Q14-M18 PolarHBondContact O-N 2.69Å; Q14-M23 HydrophobicContact CB-CE 4.31Å; Q14-M23 HydrophobicContact CB-SD 4.29Å; Q14-M23 HydrophobicContact CG-CE 4.15Å; Q14-M23 HydrophobicContact CG-SD 4.41Å
15G90.8Very high82.9Confident1 Ų167.4 Ų67.41%0.0135%0.348CS..Hα-helixtrans-49.2-57.4173.100000112.9V10 S11 V12 S13 R17 M18 L19V10-G15 VanDerWaalsContact CG1-N 3.31Å; S11-G15 PolarHBondContact O-N 3.29Å; V12-G15 PolarHBondContact O-N 2.68Å; S13-G15 VanDerWaalsContact C-N 3.31Å; G15-R17 PolarHBondContact O-N 3.02Å; G15-M18 PolarHBondContact O-N 2.9Å; G15-L19 WeakPolarHBondContact O-CG 3.19Å; G15-L19 PolarHBondContact O-N 2.74Å
16F91.6Very high85.6Confident96 Ų9665.9 Ų65.942%0.42135%0.353SS..Hα-helixtrans-61.6-43.4176.4-79.9-71.1000112.6V12 S13 Q14 M18 L19 F20V12-F16 HydrophobicContact CG1-CD2 3.9Å; V12-F16 HydrophobicContact CG1-CE2 3.74Å; V12-F16 VanDerWaalsContact O-CD2 3.32Å; V12-F16 WeakPolarHBondContact O-CD2 3.46Å; V12-F16 PolarHBondContact O-N 3.36Å; V12-F16 VanDerWaalsContact O-N 3.08Å; S13-F16 PolarHBondContact O-N 3.33Å; Q14-F16 PolarHBondContact O-N 3.37Å; F16-M18 VanDerWaalsContact C-N 3.32Å; F16-M18 PolarHBondContact O-N 3.23Å; F16-L19 PolarHBondContact O-N 3.23Å; F16-F20 HydrophobicContact CD1-CE2 4.26Å; F16-F20 VanDerWaalsContact O-CD2 3.26Å; F16-F20 WeakPolarHBondContact O-CD2 3.42Å; F16-F20 PolarHBondContact O-N 3.43Å; F16-F20 VanDerWaalsContact O-N 3.14Å
17R95Very high88Confident53 Ų5367.2 Ų67.220%0.235%0.354CS..Hα-helixtrans-65.1-34.9-179-72.8-170.5-65.2146.22.2113S13 Q14 G15 F20 Y21 T22 M23 E27S13-R17 WeakPolarHBondContact O-CG 3.12Å; S13-R17 PolarHBondContact O-N 2.8Å; Q14-R17 PolarHBondContact O-N 3.01Å; Q14-R17 VanDerWaalsContact O-N 3.17Å; G15-R17 PolarHBondContact O-N 3.02Å; R17-F20 PolarHBondContact O-N 3.24Å; R17-Y21 PolarHBondContact O-N 2.94Å; R17-Y21 VanDerWaalsContact O-N 3.11Å; R17-T22 VanDerWaalsContact CA-OG1 3.26Å; R17-T22 WeakPolarHBondContact CA-OG1 3.49Å; R17-T22 WeakPolarHBondContact CB-OG1 3.45Å; R17-T22 WeakPolarHBondContact CG-OG1 3.49Å; R17-T22 PolarHBondContact O-N 2.88Å; R17-T22 PolarHBondContact O-OG1 3.32Å; R17-M23 HydrophobicContact CB-CG 4.25Å; R17-M23 HydrophobicContact CB-SD 3.66Å; R17-E27 IonicContact CZ-OE1 2.71Å; R17-E27 IonicContact CZ-OE2 3.44Å; R17-E27 IonicContact NH1-OE1 3.54Å; R17-E27 PolarHBondContact NH1-OE1 3.11Å; R17-E27 IonicContact NH1-OE2 3.47Å; R17-E27 PolarHBondContact NH1-OE2 3.01Å; R17-E27 IonicContact NH2-OE1 2.72Å; R17-E27 PolarHBondContact NH2-OE1 3.1Å; R17-E27 IonicContact NH2-OE2 2.63Å; R17-E27 PolarHBondContact NH2-OE2 3Å
18M94.1Very high90.3Very high1 Ų160.4 Ų60.41%0.00532%0.322CS..Hα-helixtrans-65.6-43.2173.3-68.7179.3-48.900111.7V10 Q14 G15 F16 F20 Y21 M23 Y39 F192 L195V10-M18 HydrophobicContact CB-CE 4.22Å; V10-M18 HydrophobicContact CG1-CE 3.25Å; V10-M18 HydrophobicContact CG1-SD 4.26Å; V10-M18 HydrophobicContact CG2-CE 4.04Å; Q14-M18 WeakPolarHBondContact O-CB 3.34Å; Q14-M18 VanDerWaalsContact O-CG 3.24Å; Q14-M18 WeakPolarHBondContact O-CG 3.28Å; Q14-M18 PolarHBondContact O-N 2.69Å; G15-M18 PolarHBondContact O-N 2.9Å; F16-M18 VanDerWaalsContact C-N 3.32Å; F16-M18 PolarHBondContact O-N 3.23Å; M18-F20 PolarHBondContact O-N 3.42Å; M18-Y21 PolarHBondContact O-N 3.01Å; M18-M23 HydrophobicContact CB-CG 4.27Å; M18-M23 HydrophobicContact CG-CE 4.04Å; M18-M23 HydrophobicContact CG-CG 3.48Å; M18-M23 VanDerWaalsContact CG-CG 3.48Å; M18-M23 HydrophobicContact CG-SD 3.6Å; M18-Y39 HydrophobicContact CE-CD1 4.44Å; M18-Y39 HydrophobicContact CG-CD1 4.49Å; M18-Y39 HydrophobicContact SD-CD1 3.16Å; M18-Y39 WeakPolarHBondContact SD-CD1 3.4Å; M18-Y39 HydrophobicContact SD-CE1 3.59Å; M18-Y39 VanDerWaalsContact SD-CE1 3.59Å; M18-Y39 HydrophobicContact SD-CG 4Å; M18-F192 HydrophobicContact CB-CD1 4.43Å; M18-F192 HydrophobicContact CB-CE1 4.09Å; M18-F192 HydrophobicContact CG-CE1 3.73Å; M18-F192 HydrophobicContact CG-CZ 4.2Å; M18-F192 HydrophobicContact SD-CE1 4.26Å; M18-L195 HydrophobicContact CB-CD1 3.87Å
19L93.5Very high92.2Very high2 Ų254.7 Ų54.71%0.0130%0.298CS..Hα-helixtrans-60.5-32.8177.3-72.6173.2000113.2G15 F16 F46 F47 L50 L195 Y196G15-L19 WeakPolarHBondContact O-CG 3.19Å; G15-L19 PolarHBondContact O-N 2.74Å; F16-L19 PolarHBondContact O-N 3.23Å; L19-F46 HydrophobicContact CD1-CB 3.78Å; L19-F46 HydrophobicContact CD1-CG 4.35Å; L19-F47 HydrophobicContact CD2-CD1 3.98Å; L19-F47 HydrophobicContact CD2-CE1 3.47Å; L19-F47 VanDerWaalsContact CD2-CE1 3.47Å; L19-F47 HydrophobicContact CD2-CZ 4.5Å; L19-L50 HydrophobicContact CD1-CD1 3.86Å; L19-L195 HydrophobicContact CD2-CD2 4.49Å; L19-Y196 VanDerWaalsContact O-CA 3.27Å; L19-Y196 WeakPolarHBondContact O-CA 3.34Å
20F95.2Very high93.4Very high86 Ų8648.9 Ų48.938%0.37727%0.265SS..THydrogen-bonded Turntrans-100.19.5179.2-68-72.7000113.8F16 R17 M18 T22 W199F16-F20 HydrophobicContact CD1-CE2 4.26Å; F16-F20 VanDerWaalsContact O-CD2 3.26Å; F16-F20 WeakPolarHBondContact O-CD2 3.42Å; F16-F20 PolarHBondContact O-N 3.43Å; F16-F20 VanDerWaalsContact O-N 3.14Å; R17-F20 PolarHBondContact O-N 3.24Å; M18-F20 PolarHBondContact O-N 3.42Å; F20-T22 VanDerWaalsContact C-N 3.25Å; F20-T22 HydrophobicContact CB-CG2 4.19Å; F20-T22 WeakPolarHBondContact O-CG2 3.45Å; F20-T22 PolarHBondContact O-N 3Å; F20-W199 AromaticContact CD1-CD1 3.96Å; F20-W199 HydrophobicContact CD1-CD2 4.25Å; F20-W199 AromaticContact CD1-CE2 3.89Å; F20-W199 HydrophobicContact CD1-CG 4.32Å; F20-W199 HydrophobicContact CD1-CZ2 4.38Å; F20-W199 AromaticContact CD1-NE1 3.73Å; F20-W199 AromaticContact CE1-CD1 3.89Å; F20-W199 AromaticContact CE1-CD2 3.63Å; F20-W199 HydrophobicContact CE1-CD2 3.63Å; F20-W199 AromaticContact CE1-CE2 3.71Å; F20-W199 HydrophobicContact CE1-CE3 4.12Å; F20-W199 AromaticContact CE1-CG 3.8Å; F20-W199 HydrophobicContact CE1-CG 3.8Å; F20-W199 HydrophobicContact CE1-CZ2 4.28Å; F20-W199 AromaticContact CE1-NE1 3.89Å; F20-W199 HydrophobicContact CZ-CG 4.5Å
21Y96.2Very high94.1Very high18 Ų1853.1 Ų53.17%0.07128%0.283CS..THydrogen-bonded Turntrans5735.4-177.9-141.6144.1000113.8R17 M18 W117 F121 H189 F192 N193 V239R17-Y21 PolarHBondContact O-N 2.94Å; R17-Y21 VanDerWaalsContact O-N 3.11Å; M18-Y21 PolarHBondContact O-N 3.01Å; Y21-W117 HydrophobicContact CD2-CH2 4.16Å; Y21-W117 AromaticContact CE2-CH2 4Å; Y21-W117 HydrophobicContact CE2-CH2 4Å; Y21-W117 HydrophobicContact CE2-CZ2 4.28Å; Y21-F121 HydrophobicContact CD1-CD2 4.2Å; Y21-F121 HydrophobicContact CD1-CE2 4.01Å; Y21-F121 HydrophobicContact CD2-CD2 4.16Å; Y21-F121 HydrophobicContact CD2-CE2 4.42Å; Y21-F121 AromaticContact CE1-CD2 3.72Å; Y21-F121 HydrophobicContact CE1-CD2 3.72Å; Y21-F121 AromaticContact CE1-CE2 3.91Å; Y21-F121 HydrophobicContact CE1-CE2 3.91Å; Y21-F121 AromaticContact CE2-CD2 3.68Å; Y21-F121 HydrophobicContact CE2-CD2 3.68Å; Y21-F121 HydrophobicContact CE2-CE2 4.34Å; Y21-F121 HydrophobicContact CG-CD2 4.41Å; Y21-F121 HydrophobicContact CG-CE2 4.27Å; Y21-F121 AromaticContact CZ-CD2 3.46Å; Y21-F121 VanDerWaalsContact CZ-CD2 3.46Å; Y21-H189 AromaticContact CE2-ND1 3.53Å; Y21-H189 AromaticContact CZ-ND1 3.53Å; Y21-H189 WeakPolarHBondContact OH-CA 3.12Å; Y21-H189 WeakPolarHBondContact OH-CB 3.04Å; Y21-H189 VanDerWaalsContact OH-CG 3.29Å; Y21-H189 PolarHBondContact OH-ND1 3.12Å; Y21-H189 PolarHBondContact OH-O 3.41Å; Y21-F192 HydrophobicContact CD1-CB 3.8Å; Y21-F192 WeakPolarHBondContact CD1-O 3.2Å; Y21-F192 HydrophobicContact CD2-CB 3.61Å; Y21-F192 AromaticContact CD2-CD2 3.92Å; Y21-F192 HydrophobicContact CD2-CD2 3.92Å; Y21-F192 HydrophobicContact CD2-CG 4.16Å; Y21-F192 VanDerWaalsContact CE1-C 3.46Å; Y21-F192 HydrophobicContact CE1-CB 3.61Å; Y21-F192 HydrophobicContact CE2-CB 3.4Å; Y21-F192 VanDerWaalsContact CE2-CB 3.4Å; Y21-F192 AromaticContact CE2-CD2 3.66Å; Y21-F192 HydrophobicContact CE2-CD2 3.66Å; Y21-F192 HydrophobicContact CE2-CG 4.02Å; Y21-F192 HydrophobicContact CG-CB 3.79Å; Y21-N193 HydrophobicContact CE1-CB 4.01Å; Y21-N193 VanDerWaalsContact CE1-N 3.27Å; Y21-V239 HydrophobicContact CD1-CG1 4.49Å; Y21-V239 HydrophobicContact CD1-CG2 3.75Å; Y21-V239 HydrophobicContact CE1-CG2 4.07Å
22T96.1Very high94.4Very high81 Ų8153.1 Ų53.150%0.49728%0.28SS..  trans-112.219.1-177.356.70000113.4R17 F20R17-T22 VanDerWaalsContact CA-OG1 3.26Å; R17-T22 WeakPolarHBondContact CA-OG1 3.49Å; R17-T22 WeakPolarHBondContact CB-OG1 3.45Å; R17-T22 WeakPolarHBondContact CG-OG1 3.49Å; R17-T22 PolarHBondContact O-N 2.88Å; R17-T22 PolarHBondContact O-OG1 3.32Å; F20-T22 VanDerWaalsContact C-N 3.25Å; F20-T22 HydrophobicContact CB-CG2 4.19Å; F20-T22 WeakPolarHBondContact O-CG2 3.45Å; F20-T22 PolarHBondContact O-N 3Å
23M95.9Very high94.6Very high10 Ų1050.7 Ų50.75%0.04926%0.264CS..  trans-67152.5170.8-67.5-66.9-75.300111.2Q14 R17 M18 E27 T28 F192Q14-M23 HydrophobicContact CB-CE 4.31Å; Q14-M23 HydrophobicContact CB-SD 4.29Å; Q14-M23 HydrophobicContact CG-CE 4.15Å; Q14-M23 HydrophobicContact CG-SD 4.41Å; R17-M23 HydrophobicContact CB-CG 4.25Å; R17-M23 HydrophobicContact CB-SD 3.66Å; M18-M23 HydrophobicContact CB-CG 4.27Å; M18-M23 HydrophobicContact CG-CE 4.04Å; M18-M23 HydrophobicContact CG-CG 3.48Å; M18-M23 VanDerWaalsContact CG-CG 3.48Å; M18-M23 HydrophobicContact CG-SD 3.6Å; M23-E27 HydrophobicContact CE-CB 4.12Å; M23-T28 HydrophobicContact CB-CG2 3.7Å; M23-T28 HydrophobicContact CE-CG2 3.58Å; M23-T28 HydrophobicContact CG-CG2 4.15Å; M23-F192 HydrophobicContact CB-CE2 3.93Å; M23-F192 HydrophobicContact CB-CZ 4.12Å; M23-F192 HydrophobicContact CG-CE1 4.43Å; M23-F192 HydrophobicContact CG-CE2 4.13Å; M23-F192 HydrophobicContact CG-CZ 3.86Å
24K95.6Very high94.7Very high120 Ų12055.1 Ų55.152%0.52228%0.277SS..  trans-87.2149.3177.8-59.3175.7-177.2178.80111S26 E27 T28K24-S26 PolarHBondContact O-N 3.39Å; K24-E27 HydrophobicContact CB-CG 4.2Å; K24-E27 VanDerWaalsContact CB-OE2 3.27Å; K24-E27 WeakPolarHBondContact CB-OE2 3.17Å; K24-E27 WeakPolarHBondContact CG-OE2 3.28Å; K24-E27 PolarHBondContact N-OE2 3.25Å; K24-E27 PolarHBondContact O-N 2.93Å; K24-T28 PolarHBondContact O-N 2.69Å; K24-T28 PolarHBondContact O-OG1 3.08Å
25P96.5Very high94.8Very high14 Ų1455.2 Ų55.29%0.09128%0.277CS..Hα-helixtrans-52.4-42.1172.1-27.634000113E27 T28 S29 P114 W117 Y118P25-E27 PolarHBondContact O-N 3.35Å; P25-E27 VanDerWaalsContact O-N 3.1Å; P25-T28 PolarHBondContact O-N 3.43Å; P25-T28 VanDerWaalsContact O-N 3.14Å; P25-S29 VanDerWaalsContact O-CB 3.29Å; P25-S29 WeakPolarHBondContact O-CB 3.09Å; P25-S29 PolarHBondContact O-N 2.91Å; P25-S29 PolarHBondContact O-OG 3.36Å; P25-P114 HydrophobicContact CB-CB 4.31Å; P25-P114 HydrophobicContact CG-CB 4.24Å; P25-W117 HydrophobicContact CB-CB 3.95Å; P25-W117 HydrophobicContact CB-CD2 4.18Å; P25-W117 HydrophobicContact CB-CG 3.74Å; P25-W117 HydrophobicContact CG-CB 4.12Å; P25-W117 HydrophobicContact CG-CD2 3.77Å; P25-W117 HydrophobicContact CG-CE3 3.98Å; P25-W117 HydrophobicContact CG-CG 3.82Å; P25-Y118 HydrophobicContact CG-CE2 4.36Å
26S94.5Very high95Very high108 Ų10856.2 Ų56.276%0.75528%0.283SS*.Hα-helixtrans-63.5-16.4179.362.20000114.8K24K24-S26 PolarHBondContact O-N 3.39Å
27E93.9Very high95.1Very high59 Ų5952.4 Ų52.428%0.27627%0.268SS..Hα-helixtrans-99.6-12.2-179.8-63.5175.610100112.6R17 M23 K24 P25R17-E27 IonicContact CZ-OE1 2.71Å; R17-E27 IonicContact CZ-OE2 3.44Å; R17-E27 IonicContact NH1-OE1 3.54Å; R17-E27 PolarHBondContact NH1-OE1 3.11Å; R17-E27 IonicContact NH1-OE2 3.47Å; R17-E27 PolarHBondContact NH1-OE2 3.01Å; R17-E27 IonicContact NH2-OE1 2.72Å; R17-E27 PolarHBondContact NH2-OE1 3.1Å; R17-E27 IonicContact NH2-OE2 2.63Å; R17-E27 PolarHBondContact NH2-OE2 3Å; M23-E27 HydrophobicContact CE-CB 4.12Å; K24-E27 HydrophobicContact CB-CG 4.2Å; K24-E27 VanDerWaalsContact CB-OE2 3.27Å; K24-E27 WeakPolarHBondContact CB-OE2 3.17Å; K24-E27 WeakPolarHBondContact CG-OE2 3.28Å; K24-E27 PolarHBondContact N-OE2 3.25Å; K24-E27 PolarHBondContact O-N 2.93Å; P25-E27 PolarHBondContact O-N 3.35Å; P25-E27 VanDerWaalsContact O-N 3.1Å
28T96Very high94.9Very high1 Ų153.3 Ų53.31%0.00628%0.277CS..Hα-helixtrans-142.613-163.359.90000113.4M23 K24 P25 F30 W117 V188 F192M23-T28 HydrophobicContact CB-CG2 3.7Å; M23-T28 HydrophobicContact CE-CG2 3.58Å; M23-T28 HydrophobicContact CG-CG2 4.15Å; K24-T28 PolarHBondContact O-N 2.69Å; K24-T28 PolarHBondContact O-OG1 3.08Å; P25-T28 PolarHBondContact O-N 3.43Å; P25-T28 VanDerWaalsContact O-N 3.14Å; T28-F30 WeakPolarHBondContact O-CD2 3.28Å; T28-F30 WeakPolarHBondContact O-CE2 3.4Å; T28-W117 PolarHBondContact OG1-NE1 3Å; T28-V188 WeakPolarHBondContact O-CG2 3.25Å; T28-F192 HydrophobicContact CG2-CE2 3.79Å; T28-F192 HydrophobicContact CG2-CZ 3.59Å
29S96.2Very high94.9Very high22 Ų2253.8 Ų53.815%0.15428%0.279CS..  trans-100.1124.4172.6-57.50000108.7P25 W111P25-S29 VanDerWaalsContact O-CB 3.29Å; P25-S29 WeakPolarHBondContact O-CB 3.09Å; P25-S29 PolarHBondContact O-N 2.91Å; P25-S29 PolarHBondContact O-OG 3.36Å; S29-W111 WeakPolarHBondContact CB-O 3.28Å
30F96.8Very high94.8Very high37 Ų3755.2 Ų55.216%0.16229%0.287CS..  trans-127.6147.7-175.7-57.8-81.5000110.4T28 E35 V36 P37 Y39 S184 V188T28-F30 WeakPolarHBondContact O-CD2 3.28Å; T28-F30 WeakPolarHBondContact O-CE2 3.4Å; F30-E35 HydrophobicContact CB-CB 3.96Å; F30-E35 HydrophobicContact CD1-CB 3.89Å; F30-E35 HydrophobicContact CG-CB 4.21Å; F30-V36 HydrophobicContact CB-CG2 4.11Å; F30-V36 HydrophobicContact CD2-CB 4.45Å; F30-V36 HydrophobicContact CD2-CG2 3.94Å; F30-V36 HydrophobicContact CG-CG2 4.26Å; F30-P37 VanDerWaalsContact CZ-CD 3.43Å; F30-P37 HydrophobicContact CZ-CG 3.99Å; F30-Y39 HydrophobicContact CE2-CE2 4.43Å; F30-Y39 VanDerWaalsContact CE2-OH 3.27Å; F30-Y39 WeakPolarHBondContact CE2-OH 3.49Å; F30-Y39 WeakPolarHBondContact CZ-OH 3.44Å; F30-S184 VanDerWaalsContact O-CB 3.27Å; F30-S184 WeakPolarHBondContact O-CB 3.39Å; F30-S184 PolarHBondContact O-OG 3.14Å; F30-V188 HydrophobicContact CD2-CG2 3.82Å; F30-V188 HydrophobicContact CE2-CG2 4.02Å
31Q96Very high94.5Very high122 Ų12256.7 Ų56.757%0.5729%0.293SS*.SBendtrans-75.6-41.7-177.8-175.7169.47.600111.1E35 W111Q31-E35 PolarHBondContact N-OE2 2.87Å; Q31-W111 HydrophobicContact CB-CD2 3.92Å; Q31-W111 HydrophobicContact CB-CE3 4.33Å; Q31-W111 HydrophobicContact CB-CG 4.44Å; Q31-W111 HydrophobicContact CB-CH2 4.17Å; Q31-W111 HydrophobicContact CB-CZ2 3.75Å; Q31-W111 HydrophobicContact CB-CZ3 4.44Å; Q31-W111 HydrophobicContact CG-CD2 4.37Å; Q31-W111 HydrophobicContact CG-CZ2 4.18Å
32T95.6Very high94.1Very high54 Ų5458.5 Ų58.533%0.33130%0.302SS..SBendtrans-120.9163.5-179.386.80000112.3E34 E35 S184T32-E34 VanDerWaalsContact C-N 3.31Å; T32-E34 WeakPolarHBondContact CB-OE2 3.46Å; T32-E34 PolarHBondContact O-N 3Å; T32-E34 PolarHBondContact OG1-OE2 2.85Å; T32-E35 PolarHBondContact N-OE2 3.02Å; T32-E35 VanDerWaalsContact N-OE2 3.11Å; T32-E35 PolarHBondContact O-N 2.68Å; T32-S184 WeakPolarHBondContact O-CB 3.31Å
33L93.4Very high93.9Very high50 Ų5054.7 Ų54.726%0.26228%0.279SS..G310 helixtrans-69.6-31-178.8-175.362.6000112E35 V36 I98 A187L33-E35 PolarHBondContact O-N 3.19Å; L33-V36 HydrophobicContact CD1-CG2 4.32Å; L33-V36 WeakPolarHBondContact O-CB 3.33Å; L33-V36 PolarHBondContact O-N 3.12Å; L33-I98 HydrophobicContact CD2-CD1 3.68Å; L33-A187 HydrophobicContact CD1-CB 3.36Å
34E93.2Very high93.5Very high163 Ų16356.5 Ų56.576%0.76229%0.29SS*.G310 helixtrans-68.6-21.8-179.8-59.573.9-159.800113T32T32-E34 VanDerWaalsContact C-N 3.31Å; T32-E34 WeakPolarHBondContact CB-OE2 3.46Å; T32-E34 PolarHBondContact O-N 3Å; T32-E34 PolarHBondContact OG1-OE2 2.85Å
35E94.8Very high93.2Very high61 Ų6154.4 Ų54.429%0.28529%0.289SS..G310 helixtrans-80.4-21.8175.9-64.7178.6141.700112.2F30 Q31 T32 L33 P37F30-E35 HydrophobicContact CB-CB 3.96Å; F30-E35 HydrophobicContact CD1-CB 3.89Å; F30-E35 HydrophobicContact CG-CB 4.21Å; Q31-E35 PolarHBondContact N-OE2 2.87Å; T32-E35 PolarHBondContact N-OE2 3.02Å; T32-E35 VanDerWaalsContact N-OE2 3.11Å; T32-E35 PolarHBondContact O-N 2.68Å; L33-E35 PolarHBondContact O-N 3.19Å; E35-P37 WeakPolarHBondContact O-CD 3.48Å
36V95.3Very high93Very high22 Ų2255.2 Ų55.213%0.13329%0.291CS..SBendtrans-66.8117.4-178.4-179.70000109.6F30 L33 A187 V188F30-V36 HydrophobicContact CB-CG2 4.11Å; F30-V36 HydrophobicContact CD2-CB 4.45Å; F30-V36 HydrophobicContact CD2-CG2 3.94Å; F30-V36 HydrophobicContact CG-CG2 4.26Å; L33-V36 HydrophobicContact CD1-CG2 4.32Å; L33-V36 WeakPolarHBondContact O-CB 3.33Å; L33-V36 PolarHBondContact O-N 3.12Å; V36-A187 HydrophobicContact CG1-CB 4.38Å; V36-V188 HydrophobicContact CG1-CG2 3.7Å; V36-V188 HydrophobicContact CG2-CG2 4.11Å
37P93.4Very high92.9Very high17 Ų1751.1 Ų51.111%0.1126%0.26CS..  trans-65.1148.9175.4-20.834000111.8F30 E35 Y39 K42 Q191F30-P37 VanDerWaalsContact CZ-CD 3.43Å; F30-P37 HydrophobicContact CZ-CG 3.99Å; E35-P37 WeakPolarHBondContact O-CD 3.48Å; P37-Y39 HydrophobicContact CB-CD1 4.12Å; P37-Y39 HydrophobicContact CB-CE1 3.92Å; P37-Y39 HydrophobicContact CB-CE2 4.48Å; P37-Y39 HydrophobicContact CG-CE1 3.97Å; P37-Y39 HydrophobicContact CG-CE2 4.45Å; P37-Y39 WeakPolarHBondContact O-CD2 3.27Å; P37-Y39 PolarHBondContact O-N 2.91Å; P37-K42 HydrophobicContact CB-CD 4.25Å; P37-Q191 PolarHBondContact O-NE2 3.26Å; P37-Q191 VanDerWaalsContact O-NE2 3.1Å; P37-Q191 PolarHBondContact O-OE1 2.99Å
38D91.2Very high92.8Very high72 Ų7252.8 Ų52.839%0.38527%0.269SS..  trans-74.981.9165.2-172-19.4000108.9V40 K41 K42D38-V40 PolarHBondContact O-N 3.01Å; D38-V40 PolarHBondContact OD1-N 3.22Å; D38-K41 HydrophobicContact CB-CB 4.04Å; D38-K41 PolarHBondContact O-N 3.5Å; D38-K41 WeakPolarHBondContact OD1-CB 3.21Å; D38-K41 PolarHBondContact OD1-N 3.24Å; D38-K41 WeakPolarHBondContact OD2-CB 3.36Å; D38-K42 WeakPolarHBondContact O-CG 3.4Å; D38-K42 PolarHBondContact O-N 3.2Å
39Y94Very high92.7Very high11 Ų1156.2 Ų56.24%0.04329%0.293CS..Hα-helixtrans-61.9-31.1179.5-67.5-59.6000112.3M18 F30 P37 K42 A43 V188 F192M18-Y39 HydrophobicContact CE-CD1 4.44Å; M18-Y39 HydrophobicContact CG-CD1 4.49Å; M18-Y39 HydrophobicContact SD-CD1 3.16Å; M18-Y39 WeakPolarHBondContact SD-CD1 3.4Å; M18-Y39 HydrophobicContact SD-CE1 3.59Å; M18-Y39 VanDerWaalsContact SD-CE1 3.59Å; M18-Y39 HydrophobicContact SD-CG 4Å; F30-Y39 HydrophobicContact CE2-CE2 4.43Å; F30-Y39 VanDerWaalsContact CE2-OH 3.27Å; F30-Y39 WeakPolarHBondContact CE2-OH 3.49Å; F30-Y39 WeakPolarHBondContact CZ-OH 3.44Å; P37-Y39 HydrophobicContact CB-CD1 4.12Å; P37-Y39 HydrophobicContact CB-CE1 3.92Å; P37-Y39 HydrophobicContact CB-CE2 4.48Å; P37-Y39 HydrophobicContact CG-CE1 3.97Å; P37-Y39 HydrophobicContact CG-CE2 4.45Å; P37-Y39 WeakPolarHBondContact O-CD2 3.27Å; P37-Y39 PolarHBondContact O-N 2.91Å; Y39-K42 PolarHBondContact O-N 3.45Å; Y39-A43 VanDerWaalsContact O-CB 3.23Å; Y39-A43 WeakPolarHBondContact O-CB 3.49Å; Y39-A43 PolarHBondContact O-N 3.1Å; Y39-V188 HydrophobicContact CE2-CG1 4.23Å; Y39-V188 HydrophobicContact CE2-CG2 4.27Å; Y39-F192 HydrophobicContact CD1-CE1 4.18Å; Y39-F192 HydrophobicContact CD2-CD1 4.37Å; Y39-F192 AromaticContact CD2-CE1 3.57Å; Y39-F192 HydrophobicContact CD2-CE1 3.57Å; Y39-F192 AromaticContact CD2-CZ 3.99Å; Y39-F192 HydrophobicContact CD2-CZ 3.99Å; Y39-F192 HydrophobicContact CE1-CE1 4.42Å; Y39-F192 HydrophobicContact CE1-CZ 4.45Å; Y39-F192 AromaticContact CE2-CE1 3.86Å; Y39-F192 HydrophobicContact CE2-CE1 3.86Å; Y39-F192 AromaticContact CE2-CZ 3.78Å; Y39-F192 HydrophobicContact CE2-CZ 3.78Å; Y39-F192 AromaticContact CG-CE1 3.73Å; Y39-F192 HydrophobicContact CG-CE1 3.73Å; Y39-F192 HydrophobicContact CG-CZ 4.42Å
40V91Very high92.7Very high31 Ų3157 Ų5719%0.18830%0.295CS..Hα-helixtrans-64.8-49.3176.2-178.40000110.2D38 K42 A43 T44 Q191 L194 L195D38-V40 PolarHBondContact O-N 3.01Å; D38-V40 PolarHBondContact OD1-N 3.22Å; V40-K42 VanDerWaalsContact C-N 3.33Å; V40-K42 PolarHBondContact O-N 3.5Å; V40-A43 PolarHBondContact O-N 3.09Å; V40-A43 VanDerWaalsContact O-N 3.11Å; V40-T44 PolarHBondContact O-N 3.18Å; V40-Q191 HydrophobicContact CG2-CB 4.15Å; V40-Q191 HydrophobicContact CG2-CG 4.06Å; V40-L194 HydrophobicContact CG1-CD2 4.47Å; V40-L194 HydrophobicContact CG2-CD2 3.96Å; V40-L195 HydrophobicContact CG2-CD2 4.34Å
41K88.4Confident92.6Very high117 Ų11757.3 Ų57.351%0.50930%0.298SS..Hα-helixtrans-61.3-42.2174.8-177.6175.8-178173.60111.9D38 A43 T44D38-K41 HydrophobicContact CB-CB 4.04Å; D38-K41 PolarHBondContact O-N 3.5Å; D38-K41 WeakPolarHBondContact OD1-CB 3.21Å; D38-K41 PolarHBondContact OD1-N 3.24Å; D38-K41 WeakPolarHBondContact OD2-CB 3.36Å; K41-A43 PolarHBondContact O-N 3.14Å; K41-T44 WeakPolarHBondContact O-CB 3.06Å; K41-T44 PolarHBondContact O-N 3.36Å; K41-T44 PolarHBondContact O-OG1 3.17Å
42K89.7Confident92.5Very high57 Ų5756.5 Ų56.525%0.24830%0.297CS..Hα-helixtrans-66.7-22.3177.1-67.8-173.7179.3-159.80112.5A6 Q8 V10 P37 D38 Y39 V40A6-K42 PolarHBondContact O-NZ 3.4Å; Q8-K42 PolarHBondContact O-NZ 3.45Å; V10-K42 HydrophobicContact CG2-CB 3.64Å; V10-K42 HydrophobicContact CG2-CD 3.42Å; V10-K42 VanDerWaalsContact CG2-CD 3.42Å; V10-K42 HydrophobicContact CG2-CG 4.01Å; P37-K42 HydrophobicContact CB-CD 4.25Å; D38-K42 WeakPolarHBondContact O-CG 3.4Å; D38-K42 PolarHBondContact O-N 3.2Å; Y39-K42 PolarHBondContact O-N 3.45Å; V40-K42 VanDerWaalsContact C-N 3.33Å; V40-K42 PolarHBondContact O-N 3.5Å
43A90.9Very high92.6Very high1 Ų158.5 Ų58.51%0.00831%0.305CS..Hα-helixtrans-85.2-13.9177.200000114.4Y39 V40 K41 P45 F46 F47 L195Y39-A43 VanDerWaalsContact O-CB 3.23Å; Y39-A43 WeakPolarHBondContact O-CB 3.49Å; Y39-A43 PolarHBondContact O-N 3.1Å; V40-A43 PolarHBondContact O-N 3.09Å; V40-A43 VanDerWaalsContact O-N 3.11Å; K41-A43 PolarHBondContact O-N 3.14Å; A43-P45 VanDerWaalsContact C-CD 3.45Å; A43-F46 WeakPolarHBondContact O-CA 3.25Å; A43-F46 WeakPolarHBondContact O-CB 3.42Å; A43-F46 PolarHBondContact O-N 3.35Å; A43-F47 HydrophobicContact CB-CE1 4.24Å; A43-F47 HydrophobicContact CB-CE2 4.36Å; A43-F47 HydrophobicContact CB-CZ 4.07Å; A43-F47 PolarHBondContact O-N 3.27Å; A43-F47 VanDerWaalsContact O-N 3.11Å; A43-L195 HydrophobicContact CB-CD1 4.29Å; A43-L195 HydrophobicContact CB-CD2 3.57Å
44T87.8Confident92.7Very high48 Ų4856.8 Ų56.829%0.29430%0.296SS..Hα-helixtrans-48.5-44.9-178.1-59.30000114.4V40 K41 F46 F47 I48V40-T44 PolarHBondContact O-N 3.18Å; K41-T44 WeakPolarHBondContact O-CB 3.06Å; K41-T44 PolarHBondContact O-N 3.36Å; K41-T44 PolarHBondContact O-OG1 3.17Å; T44-F46 PolarHBondContact O-N 3.45Å; T44-F47 PolarHBondContact O-N 3.33Å; T44-I48 HydrophobicContact CG2-CD1 4.12Å; T44-I48 WeakPolarHBondContact O-CG1 3.48Å; T44-I48 PolarHBondContact O-N 3.23Å; T44-I48 VanDerWaalsContact O-N 3.12Å
45P89.7Confident92.8Very high75 Ų7553 Ų5349%0.48728%0.28SS..Hα-helixtrans-61.2-32.3177.1-23.935.3000113.6A43 S49A43-P45 VanDerWaalsContact C-CD 3.45Å; P45-S49 VanDerWaalsContact O-CB 3.27Å; P45-S49 WeakPolarHBondContact O-CB 3.33Å; P45-S49 PolarHBondContact O-N 3.06Å; P45-S49 PolarHBondContact O-OG 2.86Å
46F92Very high92.9Very high32 Ų3253.6 Ų53.614%0.1429%0.288CS..Hα-helixtrans-74.5-37.8177.7-59.3-94.7000111.4V12 L19 A43 T44 S49 L50V12-F46 HydrophobicContact CG1-CE1 4.44Å; L19-F46 HydrophobicContact CD1-CB 3.78Å; L19-F46 HydrophobicContact CD1-CG 4.35Å; A43-F46 WeakPolarHBondContact O-CA 3.25Å; A43-F46 WeakPolarHBondContact O-CB 3.42Å; A43-F46 PolarHBondContact O-N 3.35Å; T44-F46 PolarHBondContact O-N 3.45Å; F46-S49 PolarHBondContact O-N 3.48Å; F46-L50 WeakPolarHBondContact O-CB 3.33Å; F46-L50 VanDerWaalsContact O-CG 3.3Å; F46-L50 WeakPolarHBondContact O-CG 3.48Å; F46-L50 PolarHBondContact O-N 3.21Å
47F92.2Very high93Very high22 Ų2254.5 Ų54.510%0.09629%0.293CS..Hα-helixtrans-58.9-48.9172.8-62-25.5000111.6L19 A43 T44 S49 L50 M51 L195 F198L19-F47 HydrophobicContact CD2-CD1 3.98Å; L19-F47 HydrophobicContact CD2-CE1 3.47Å; L19-F47 VanDerWaalsContact CD2-CE1 3.47Å; L19-F47 HydrophobicContact CD2-CZ 4.5Å; A43-F47 HydrophobicContact CB-CE1 4.24Å; A43-F47 HydrophobicContact CB-CE2 4.36Å; A43-F47 HydrophobicContact CB-CZ 4.07Å; A43-F47 PolarHBondContact O-N 3.27Å; A43-F47 VanDerWaalsContact O-N 3.11Å; T44-F47 PolarHBondContact O-N 3.33Å; F47-S49 VanDerWaalsContact C-N 3.32Å; F47-S49 PolarHBondContact O-N 2.93Å; F47-L50 PolarHBondContact O-N 3.44Å; F47-M51 VanDerWaalsContact O-CG 3.3Å; F47-M51 WeakPolarHBondContact O-CG 3.48Å; F47-M51 PolarHBondContact O-N 3.44Å; F47-L195 HydrophobicContact CE1-CD2 3.95Å; F47-L195 HydrophobicContact CE2-CD2 4.33Å; F47-L195 HydrophobicContact CZ-CD2 3.38Å; F47-F198 HydrophobicContact CB-CE1 4.34Å; F47-F198 HydrophobicContact CB-CE2 4.04Å; F47-F198 HydrophobicContact CB-CZ 3.83Å; F47-F198 HydrophobicContact CD1-CB 4.38Å; F47-F198 AromaticContact CD1-CD1 3.55Å; F47-F198 HydrophobicContact CD1-CD1 3.55Å; F47-F198 AromaticContact CD1-CD2 3.82Å; F47-F198 HydrophobicContact CD1-CD2 3.82Å; F47-F198 AromaticContact CD1-CE1 3.65Å; F47-F198 HydrophobicContact CD1-CE1 3.65Å; F47-F198 AromaticContact CD1-CE2 3.92Å; F47-F198 HydrophobicContact CD1-CE2 3.92Å; F47-F198 AromaticContact CD1-CG 3.63Å; F47-F198 HydrophobicContact CD1-CG 3.63Å; F47-F198 AromaticContact CD1-CZ 3.83Å; F47-F198 HydrophobicContact CD1-CZ 3.83Å; F47-F198 HydrophobicContact CE1-CB 3.81Å; F47-F198 AromaticContact CE1-CD1 3.8Å; F47-F198 HydrophobicContact CE1-CD1 3.8Å; F47-F198 AromaticContact CE1-CD2 3.96Å; F47-F198 HydrophobicContact CE1-CD2 3.96Å; F47-F198 HydrophobicContact CE1-CE1 4.37Å; F47-F198 AromaticContact CE1-CG 3.56Å; F47-F198 HydrophobicContact CE1-CG 3.56Å; F47-F198 HydrophobicContact CG-CD2 4.24Å; F47-F198 HydrophobicContact CG-CE1 4.36Å; F47-F198 HydrophobicContact CG-CE2 4.04Å; F47-F198 HydrophobicContact CG-CG 4.48Å; F47-F198 HydrophobicContact CG-CZ 4.1Å; F47-F198 HydrophobicContact CZ-CB 4.42Å; F47-F198 HydrophobicContact CZ-CG 4.39Å
48I91.7Very high93Very high94 Ų9453.7 Ų53.748%0.48229%0.288SS..Hα-helixtrans-60.7-45.4177.8-64.4169.9000110T44 L50 M51 L52T44-I48 HydrophobicContact CG2-CD1 4.12Å; T44-I48 WeakPolarHBondContact O-CG1 3.48Å; T44-I48 PolarHBondContact O-N 3.23Å; T44-I48 VanDerWaalsContact O-N 3.12Å; I48-L50 PolarHBondContact O-N 2.94Å; I48-M51 PolarHBondContact O-N 2.71Å; I48-L52 HydrophobicContact CG2-CD1 4.08Å; I48-L52 HydrophobicContact CG2-CG 4.49Å; I48-L52 VanDerWaalsContact O-CG 3.31Å; I48-L52 WeakPolarHBondContact O-CG 3.29Å; I48-L52 PolarHBondContact O-N 3.44Å
49S94.1Very high93.2Very high72 Ų7258 Ų5850%0.50330%0.299SS..Hα-helixtrans-63.7-40.5-179.8-62.90000112.4P45 F46 F47 L52 L53P45-S49 VanDerWaalsContact O-CB 3.27Å; P45-S49 WeakPolarHBondContact O-CB 3.33Å; P45-S49 PolarHBondContact O-N 3.06Å; P45-S49 PolarHBondContact O-OG 2.86Å; F46-S49 PolarHBondContact O-N 3.48Å; F47-S49 VanDerWaalsContact C-N 3.32Å; F47-S49 PolarHBondContact O-N 2.93Å; S49-L52 PolarHBondContact O-N 3.36Å; S49-L53 VanDerWaalsContact O-CB 3.3Å; S49-L53 WeakPolarHBondContact O-CB 3.42Å; S49-L53 PolarHBondContact O-N 3.06Å
50L95.1Very high93.3Very high39 Ų3963.6 Ų63.620%0.20433%0.329CS..Hα-helixtrans-70-38.4176.8-73.8174.5000112.3L19 F46 F47 I48 L53 E54 L156 F198L19-L50 HydrophobicContact CD1-CD1 3.86Å; F46-L50 WeakPolarHBondContact O-CB 3.33Å; F46-L50 VanDerWaalsContact O-CG 3.3Å; F46-L50 WeakPolarHBondContact O-CG 3.48Å; F46-L50 PolarHBondContact O-N 3.21Å; F47-L50 PolarHBondContact O-N 3.44Å; I48-L50 PolarHBondContact O-N 2.94Å; L50-L53 HydrophobicContact CD2-CD2 4.27Å; L50-L53 PolarHBondContact O-N 2.91Å; L50-E54 WeakPolarHBondContact O-CB 3.47Å; L50-E54 PolarHBondContact O-N 3.48Å; L50-L156 VanDerWaalsContact C-CD1 3.5Å; L50-L156 HydrophobicContact CB-CD1 3.83Å; L50-L156 WeakPolarHBondContact O-CD1 3.3Å; L50-F198 HydrophobicContact CB-CE1 3.98Å; L50-F198 HydrophobicContact CD1-CD1 4.26Å; L50-F198 HydrophobicContact CD1-CE1 3.83Å
51M95Very high93.4Very high43 Ų4368.1 Ų68.121%0.21235%0.351CS..Hα-helixtrans-63.2-42.5173.2-71.6174.366.100111.9F47 I48 E54 L55 I76 L156 L160 F198F47-M51 VanDerWaalsContact O-CG 3.3Å; F47-M51 WeakPolarHBondContact O-CG 3.48Å; F47-M51 PolarHBondContact O-N 3.44Å; I48-M51 PolarHBondContact O-N 2.71Å; M51-E54 PolarHBondContact O-N 3.4Å; M51-L55 PolarHBondContact O-N 2.71Å; M51-I76 HydrophobicContact CE-CD1 4.11Å; M51-I76 HydrophobicContact CE-CG1 4.43Å; M51-L156 HydrophobicContact CG-CB 3.74Å; M51-L156 HydrophobicContact CG-CD1 4.48Å; M51-L160 HydrophobicContact CE-CD1 4.48Å; M51-L160 HydrophobicContact SD-CD1 3.92Å; M51-F198 HydrophobicContact CG-CZ 4.15Å
52L95.2Very high93.6Very high105 Ų10567.2 Ų67.255%0.5535%0.347SS..Hα-helixtrans-65.3-40.6174.4-69.4174.5000111.4I48 S49 L55 V56I48-L52 HydrophobicContact CG2-CD1 4.08Å; I48-L52 HydrophobicContact CG2-CG 4.49Å; I48-L52 VanDerWaalsContact O-CG 3.31Å; I48-L52 WeakPolarHBondContact O-CG 3.29Å; I48-L52 PolarHBondContact O-N 3.44Å; S49-L52 PolarHBondContact O-N 3.36Å; L52-L55 WeakPolarHBondContact O-CB 3.38Å; L52-L55 PolarHBondContact O-N 3.15Å; L52-V56 WeakPolarHBondContact O-CG2 3.38Å; L52-V56 PolarHBondContact O-N 3.5Å
53L96.4Very high93.8Very high97 Ų9767 Ų6751%0.50836%0.362SS..Hα-helixtrans-62.3-45175.2-179.962.8000111.3S49 L50 L55 V56 V57S49-L53 VanDerWaalsContact O-CB 3.3Å; S49-L53 WeakPolarHBondContact O-CB 3.42Å; S49-L53 PolarHBondContact O-N 3.06Å; L50-L53 HydrophobicContact CD2-CD2 4.27Å; L50-L53 PolarHBondContact O-N 2.91Å; L53-L55 VanDerWaalsContact C-N 3.27Å; L53-L55 PolarHBondContact O-N 3.49Å; L53-V56 PolarHBondContact O-N 3.01Å; L53-V57 HydrophobicContact CD1-CG2 3.93Å; L53-V57 HydrophobicContact CG-CG2 4.18Å; L53-V57 WeakPolarHBondContact O-CB 3.45Å; L53-V57 VanDerWaalsContact O-CG2 3.27Å; L53-V57 WeakPolarHBondContact O-CG2 3.33Å; L53-V57 PolarHBondContact O-N 2.82Å
54E96.6Very high93.9Very high13 Ų1373.3 Ų73.36%0.06139%0.389CS..Hα-helixtrans-60.2-38.7176.4-175.3-179.6-132.500111.5L50 M51 S58 P66 N155 L156 T202 V204L50-E54 WeakPolarHBondContact O-CB 3.47Å; L50-E54 PolarHBondContact O-N 3.48Å; M51-E54 PolarHBondContact O-N 3.4Å; E54-S58 WeakPolarHBondContact O-CB 3.41Å; E54-S58 PolarHBondContact O-N 2.86Å; E54-S58 PolarHBondContact O-OG 3.16Å; E54-P66 HydrophobicContact CG-CB 4.13Å; E54-P66 HydrophobicContact CG-CG 4.11Å; E54-N155 WeakPolarHBondContact OE2-CB 3.36Å; E54-L156 HydrophobicContact CB-CD1 3.92Å; E54-L156 WeakPolarHBondContact OE2-CB 3.47Å; E54-L156 WeakPolarHBondContact OE2-CG 3.28Å; E54-L156 PolarHBondContact OE2-N 3.42Å; E54-T202 VanDerWaalsContact OE1-CB 3.28Å; E54-T202 WeakPolarHBondContact OE1-CB 3.46Å; E54-T202 PolarHBondContact OE1-OG1 2.9Å; E54-V204 HydrophobicContact CG-CG2 3.96Å
55L94.8Very high94.1Very high83 Ų8373.9 Ų73.944%0.43539%0.394SS..Hα-helixtrans-62.3-48.3174.2-174.7153000111.5M51 L52 L53 S58 W59M51-L55 PolarHBondContact O-N 2.71Å; L52-L55 WeakPolarHBondContact O-CB 3.38Å; L52-L55 PolarHBondContact O-N 3.15Å; L53-L55 VanDerWaalsContact C-N 3.27Å; L53-L55 PolarHBondContact O-N 3.49Å; L55-S58 PolarHBondContact O-N 2.93Å; L55-W59 WeakPolarHBondContact O-CB 3.49Å; L55-W59 PolarHBondContact O-N 3.36Å
56V96.5Very high94.2Very high74 Ų7471.9 Ų71.945%0.44838%0.38SS..Hα-helixtrans-63.5-48.1178.5171.60000111.1L52 L53 S58 W59 I60L52-V56 WeakPolarHBondContact O-CG2 3.38Å; L52-V56 PolarHBondContact O-N 3.5Å; L53-V56 PolarHBondContact O-N 3.01Å; V56-S58 PolarHBondContact O-N 3.48Å; V56-W59 WeakPolarHBondContact O-CB 3.22Å; V56-W59 PolarHBondContact O-N 3.13Å; V56-I60 HydrophobicContact CG1-CD1 3.78Å; V56-I60 WeakPolarHBondContact O-CG1 3.41Å; V56-I60 PolarHBondContact O-N 3.02Å
57V96.7Very high94.3Very high41 Ų4171.2 Ų71.225%0.24838%0.383CS..Hα-helixtrans-62.3-43.2179.7171.50000110.8L53 W59 I60 L61 V204L53-V57 HydrophobicContact CD1-CG2 3.93Å; L53-V57 HydrophobicContact CG-CG2 4.18Å; L53-V57 WeakPolarHBondContact O-CB 3.45Å; L53-V57 VanDerWaalsContact O-CG2 3.27Å; L53-V57 WeakPolarHBondContact O-CG2 3.33Å; L53-V57 PolarHBondContact O-N 2.82Å; V57-W59 VanDerWaalsContact C-N 3.34Å; V57-W59 PolarHBondContact O-N 3.02Å; V57-I60 PolarHBondContact O-N 2.92Å; V57-L61 HydrophobicContact CG1-CD1 3.58Å; V57-L61 HydrophobicContact CG1-CG 4.16Å; V57-L61 WeakPolarHBondContact O-CB 3.3Å; V57-L61 WeakPolarHBondContact O-CG 3.26Å; V57-L61 PolarHBondContact O-N 3.27Å; V57-V204 HydrophobicContact CG1-CG1 3.69Å
58S94.9Very high94.5Very high1 Ų172.4 Ų72.41%0.00739%0.387CS..Hα-helixtrans-64.7-38.8176.4-62.40000112.2E54 L55 V56 K62 G63 K64E54-S58 WeakPolarHBondContact O-CB 3.41Å; E54-S58 PolarHBondContact O-N 2.86Å; E54-S58 PolarHBondContact O-OG 3.16Å; L55-S58 PolarHBondContact O-N 2.93Å; V56-S58 PolarHBondContact O-N 3.48Å; S58-K62 WeakPolarHBondContact O-CA 3.21Å; S58-K62 WeakPolarHBondContact O-CB 3.49Å; S58-K62 PolarHBondContact O-N 3.19Å; S58-G63 PolarHBondContact O-N 3.23Å; S58-K64 CarbonylContact C-O 3.25Å; S58-K64 VanDerWaalsContact C-O 3.25Å; S58-K64 WeakPolarHBondContact CB-O 3.27Å
59W94Very high94.6Very high161 Ų16171.7 Ų71.761%0.6138%0.383SS*.Hα-helixtrans-62.6-43.8175-168-88.9000111.8L55 V56 V57 G63L55-W59 WeakPolarHBondContact O-CB 3.49Å; L55-W59 PolarHBondContact O-N 3.36Å; V56-W59 WeakPolarHBondContact O-CB 3.22Å; V56-W59 PolarHBondContact O-N 3.13Å; V57-W59 VanDerWaalsContact C-N 3.34Å; V57-W59 PolarHBondContact O-N 3.02Å; W59-G63 WeakPolarHBondContact O-CA 3.4Å; W59-G63 PolarHBondContact O-N 3.48Å
60I96.4Very high94.7Very high129 Ų12968.4 Ų68.466%0.66236%0.36SS*.Hα-helixtrans-67.8-46.5179.3-66.9167.8000111.5V56 V57V56-I60 HydrophobicContact CG1-CD1 3.78Å; V56-I60 WeakPolarHBondContact O-CG1 3.41Å; V56-I60 PolarHBondContact O-N 3.02Å; V57-I60 PolarHBondContact O-N 2.92Å
61L94.1Very high94.8Very high126 Ų12666.9 Ų66.966%0.6635%0.352SS*.Hα-helixtrans-84.2-34.9-172.6-64.2-179.5000113.8V57V57-L61 HydrophobicContact CG1-CD1 3.58Å; V57-L61 HydrophobicContact CG1-CG 4.16Å; V57-L61 WeakPolarHBondContact O-CB 3.3Å; V57-L61 WeakPolarHBondContact O-CG 3.26Å; V57-L61 PolarHBondContact O-N 3.27Å
62K92.8Very high94.9Very high98 Ų9866 Ų6643%0.42635%0.352SS..Hα-helixtrans-116.7-8.1-171.7-57.2-179.9-179.7176.40113.2S58 K64 E203S58-K62 WeakPolarHBondContact O-CA 3.21Å; S58-K62 WeakPolarHBondContact O-CB 3.49Å; S58-K62 PolarHBondContact O-N 3.19Å; K62-K64 HydrophobicContact CB-CG 4.24Å; K62-K64 PolarHBondContact O-N 3.19Å; K62-E203 PolarHBondContact NZ-O 3.4Å
63G93.5Very high95Very high54 Ų5461.4 Ų61.456%0.55733%0.328SS*.SBendtrans69.612.9-17800000114.7S58 W59S58-G63 PolarHBondContact O-N 3.23Å; W59-G63 WeakPolarHBondContact O-CA 3.4Å; W59-G63 PolarHBondContact O-N 3.48Å
64K92.4Very high95.1Very high132 Ų13257 Ų5757%0.57431%0.305SS*.SBendtrans-154157.1-176.565179.3-179174.30111.3S58 K62S58-K64 CarbonylContact C-O 3.25Å; S58-K64 VanDerWaalsContact C-O 3.25Å; S58-K64 WeakPolarHBondContact CB-O 3.27Å; K62-K64 HydrophobicContact CB-CG 4.24Å; K62-K64 PolarHBondContact O-N 3.19Å
65P92.2Very high95.1Very high61 Ų6156.3 Ų56.340%0.39630%0.302SS..  trans-62.8159.1174.427-35.7000112.3G67P65-G67 PolarHBondContact O-N 3.34Å
66P92.6Very high95.2Very high32 Ų3254.2 Ų54.221%0.20829%0.29CS..SBendtrans-71.7-4.7-17729.9-36.2000114.4E54 N155E54-P66 HydrophobicContact CG-CB 4.13Å; E54-P66 HydrophobicContact CG-CG 4.11Å; P66-N155 HydrophobicContact CB-CB 3.98Å; P66-N155 HydrophobicContact CG-CB 4.39Å; P66-N155 PolarHBondContact O-ND2 2.91Å
67G93.5Very high95.3Very high19 Ų1951 Ų5120%0.19627%0.271CS..SBendtrans-175.2-178.7-17900000111.5P65P65-G67 PolarHBondContact O-N 3.34Å
68R95Very high95.4Very high47 Ų4749 Ų4918%0.17726%0.259CS..  trans-89147.4-178.6-56.5161-68148.416.3110.7D70 D71 A72 D153 P326 F327R68-D70 WeakPolarHBondContact CB-OD1 3.39Å; R68-D71 HydrophobicContact CB-CB 4.48Å; R68-D71 IonicContact NH2-OD1 3.97Å; R68-D71 PolarHBondContact NH2-OD1 2.97Å; R68-D71 PolarHBondContact O-N 3.37Å; R68-A72 WeakPolarHBondContact O-CB 3.32Å; R68-A72 PolarHBondContact O-N 3.15Å; R68-D153 IonicContact CZ-OD2 3.8Å; R68-D153 VanDerWaalsContact CZ-OD2 3.25Å; R68-D153 PolarHBondContact N-OD2 2.76Å; R68-D153 VanDerWaalsContact N-OD2 3.15Å; R68-D153 IonicContact NE-OD1 3.21Å; R68-D153 PolarHBondContact NE-OD1 3.18Å; R68-D153 IonicContact NE-OD2 2.91Å; R68-D153 PolarHBondContact NE-OD2 3.25Å; R68-D153 IonicContact NH2-OD2 3.18Å; R68-D153 PolarHBondContact NH2-OD2 3.43Å; R68-P326 PolarHBondContact NH1-O 2.91Å; R68-F327 PolarHBondContact NH1-O 2.81Å
69L95Very high95.4Very high78 Ų7849.7 Ų49.741%0.40827%0.266SS..Hα-helixtrans-64.2-42.2-175.2174.966.5000112.9A72 L73 K336 V340L69-A72 PolarHBondContact O-N 3.17Å; L69-L73 HydrophobicContact CD1-CD1 4.42Å; L69-L73 HydrophobicContact CD1-CG 4.41Å; L69-L73 HydrophobicContact CG-CD1 4.21Å; L69-L73 WeakPolarHBondContact O-CB 3.27Å; L69-L73 VanDerWaalsContact O-CG 3.29Å; L69-L73 WeakPolarHBondContact O-CG 3.2Å; L69-L73 PolarHBondContact O-N 3.44Å; L69-K336 HydrophobicContact CD2-CB 4.1Å; L69-V340 HydrophobicContact CD1-CG2 3.8Å; L69-V340 HydrophobicContact CD2-CG2 3.76Å; L69-V340 HydrophobicContact CG-CG2 4.14Å
70D96.8Very high95.5Very high4 Ų442.3 Ų42.32%0.02124%0.239CC..Hα-helixtrans-62.8-44.2177.745.2-3.1000111.6R68 L73 T74 F268 S329 L383R68-D70 WeakPolarHBondContact CB-OD1 3.39Å; D70-L73 PolarHBondContact O-N 3.07Å; D70-T74 PolarHBondContact O-N 3.36Å; D70-T74 PolarHBondContact O-OG1 3.4Å; D70-F268 HydrophobicContact CB-CD1 3.94Å; D70-F268 HydrophobicContact CB-CD2 4.45Å; D70-F268 HydrophobicContact CB-CE1 3.62Å; D70-F268 HydrophobicContact CB-CE2 4.17Å; D70-F268 HydrophobicContact CB-CG 4.34Å; D70-F268 HydrophobicContact CB-CZ 3.75Å; D70-F268 VanDerWaalsContact CG-CZ 3.49Å; D70-F268 WeakPolarHBondContact OD2-CZ 3.41Å; D70-S329 VanDerWaalsContact OD2-CB 3.26Å; D70-S329 WeakPolarHBondContact OD2-CB 3.48Å; D70-S329 PolarHBondContact OD2-N 3Å; D70-L383 HydrophobicContact CB-CD1 4.02Å
71D97.4Very high95.5Very high7 Ų736.6 Ų36.64%0.03721%0.21CC..Hα-helixtrans-65.7-44.5174.8-165.986.7000112.2R68 L73 T74 S75 S151 D153 R161R68-D71 HydrophobicContact CB-CB 4.48Å; R68-D71 IonicContact NH2-OD1 3.97Å; R68-D71 PolarHBondContact NH2-OD1 2.97Å; R68-D71 PolarHBondContact O-N 3.37Å; D71-L73 VanDerWaalsContact C-N 3.33Å; D71-L73 PolarHBondContact O-N 2.94Å; D71-T74 PolarHBondContact O-N 3.1Å; D71-T74 VanDerWaalsContact O-N 3.13Å; D71-S75 PolarHBondContact O-N 2.84Å; D71-S75 PolarHBondContact O-OG 3.3Å; D71-S75 VanDerWaalsContact O-OG 3.1Å; D71-S151 PolarHBondContact OD2-OG 3.05Å; D71-D153 VanDerWaalsContact CB-OD2 3.24Å; D71-D153 WeakPolarHBondContact CB-OD2 3.48Å; D71-R161 PolarHBondContact O-NH2 2.99Å; D71-R161 IonicContact OD1-CZ 3.5Å; D71-R161 IonicContact OD1-NH2 3.33Å; D71-R161 PolarHBondContact OD1-NH2 3.27Å; D71-R161 IonicContact OD2-CZ 3.96Å; D71-R161 IonicContact OD2-NH2 3.78Å; D71-R161 PolarHBondContact OD2-NH2 2.99Å
72A96.5Very high95.6Very high24 Ų2431.9 Ų31.920%0.19819%0.187CC..Hα-helixtrans-60.1-41.7175.700000112.3R68 L69 S75 I76R68-A72 WeakPolarHBondContact O-CB 3.32Å; R68-A72 PolarHBondContact O-N 3.15Å; L69-A72 PolarHBondContact O-N 3.17Å; A72-S75 PolarHBondContact O-N 3.43Å; A72-I76 VanDerWaalsContact O-CG1 3.29Å; A72-I76 WeakPolarHBondContact O-CG1 3.3Å; A72-I76 PolarHBondContact O-N 3.39Å
73L97Very high95.6Very high9 Ų932.2 Ų32.25%0.04719%0.186CC..Hα-helixtrans-61.6-43.5174.2-77.2172.3000111.3L69 D70 D71 S77 V340 F343 L383L69-L73 HydrophobicContact CD1-CD1 4.42Å; L69-L73 HydrophobicContact CD1-CG 4.41Å; L69-L73 HydrophobicContact CG-CD1 4.21Å; L69-L73 WeakPolarHBondContact O-CB 3.27Å; L69-L73 VanDerWaalsContact O-CG 3.29Å; L69-L73 WeakPolarHBondContact O-CG 3.2Å; L69-L73 PolarHBondContact O-N 3.44Å; D70-L73 PolarHBondContact O-N 3.07Å; D71-L73 VanDerWaalsContact C-N 3.33Å; D71-L73 PolarHBondContact O-N 2.94Å; L73-S77 VanDerWaalsContact O-CB 3.23Å; L73-S77 WeakPolarHBondContact O-CB 3.35Å; L73-S77 PolarHBondContact O-N 2.71Å; L73-S77 PolarHBondContact O-OG 3.5Å; L73-V340 HydrophobicContact CD1-CG2 4.06Å; L73-F343 HydrophobicContact CD2-CB 3.98Å; L73-F343 HydrophobicContact CD2-CD1 3.57Å; L73-F343 HydrophobicContact CD2-CD2 4.05Å; L73-F343 HydrophobicContact CD2-CE1 3.98Å; L73-F343 HydrophobicContact CD2-CE2 4.44Å; L73-F343 HydrophobicContact CD2-CG 3.59Å; L73-F343 HydrophobicContact CD2-CZ 4.41Å; L73-L383 HydrophobicContact CD1-CD1 4.21Å
74T98Very high95.7Very high3 Ų330 Ų302%0.01816%0.161CC..Hα-helixtrans-64.1-39.9175.8-61.80000111.8D70 D71 S77 A78 F268 V273D70-T74 PolarHBondContact O-N 3.36Å; D70-T74 PolarHBondContact O-OG1 3.4Å; D71-T74 PolarHBondContact O-N 3.1Å; D71-T74 VanDerWaalsContact O-N 3.13Å; T74-S77 WeakPolarHBondContact O-CB 3.38Å; T74-S77 PolarHBondContact O-N 3.17Å; T74-A78 PolarHBondContact O-N 2.91Å; T74-F268 WeakPolarHBondContact OG1-CA 3.19Å; T74-F268 WeakPolarHBondContact OG1-CB 3.2Å; T74-F268 WeakPolarHBondContact OG1-CD1 3.3Å; T74-F268 PolarHBondContact OG1-O 3.37Å; T74-V273 HydrophobicContact CG2-CG2 4.18Å
75S97.9Very high95.7Very high0 Ų024.9 Ų24.90%014%0.141CC..Hα-helixtrans-60.8-50.8176.4-61.80000111.9D71 A72 S77 A78 G79 S157 L160 R161D71-S75 PolarHBondContact O-N 2.84Å; D71-S75 PolarHBondContact O-OG 3.3Å; D71-S75 VanDerWaalsContact O-OG 3.1Å; A72-S75 PolarHBondContact O-N 3.43Å; S75-S77 VanDerWaalsContact C-N 3.32Å; S75-S77 PolarHBondContact O-N 2.94Å; S75-A78 PolarHBondContact O-N 3.27Å; S75-G79 PolarHBondContact O-N 3.47Å; S75-G79 VanDerWaalsContact O-N 3.16Å; S75-S157 VanDerWaalsContact CB-O 3.23Å; S75-S157 WeakPolarHBondContact CB-O 3.45Å; S75-L160 CarbonylContact O-C 3.4Å; S75-L160 VanDerWaalsContact O-O 3.1Å; S75-R161 WeakPolarHBondContact O-CA 3.47Å; S75-R161 PolarHBondContact OG-NE 2.91Å; S75-R161 PolarHBondContact OG-NH2 2.96Å
76I96.6Very high95.7Very high39 Ų3924.8 Ų24.820%0.214%0.142CC..Hα-helixtrans-66.9-36.2178.4-55.6162.3000110.5M51 A72 A78 G79 V80 L160 F343M51-I76 HydrophobicContact CE-CD1 4.11Å; M51-I76 HydrophobicContact CE-CG1 4.43Å; A72-I76 VanDerWaalsContact O-CG1 3.29Å; A72-I76 WeakPolarHBondContact O-CG1 3.3Å; A72-I76 PolarHBondContact O-N 3.39Å; I76-A78 VanDerWaalsContact C-N 3.34Å; I76-A78 PolarHBondContact O-N 3.21Å; I76-G79 PolarHBondContact O-N 3.33Å; I76-V80 WeakPolarHBondContact O-CG2 3.2Å; I76-V80 PolarHBondContact O-N 3.2Å; I76-L160 HydrophobicContact CG1-CD1 4.15Å; I76-F343 HydrophobicContact CB-CE1 4.21Å; I76-F343 HydrophobicContact CB-CZ 3.82Å; I76-F343 HydrophobicContact CG2-CE1 3.86Å; I76-F343 HydrophobicContact CG2-CZ 3.6Å
77S98Very high95.7Very high5 Ų524 Ų244%0.03514%0.136CC..Hα-helixtrans-59-43.4175.2-61.60000112.2L73 T74 S75 G79 V80 L81 F343 L376L73-S77 VanDerWaalsContact O-CB 3.23Å; L73-S77 WeakPolarHBondContact O-CB 3.35Å; L73-S77 PolarHBondContact O-N 2.71Å; L73-S77 PolarHBondContact O-OG 3.5Å; T74-S77 WeakPolarHBondContact O-CB 3.38Å; T74-S77 PolarHBondContact O-N 3.17Å; S75-S77 VanDerWaalsContact C-N 3.32Å; S75-S77 PolarHBondContact O-N 2.94Å; S77-G79 VanDerWaalsContact C-N 3.34Å; S77-V80 PolarHBondContact O-N 3.19Å; S77-L81 WeakPolarHBondContact O-CG 3.27Å; S77-L81 PolarHBondContact O-N 2.71Å; S77-F343 WeakPolarHBondContact OG-CE2 3.31Å; S77-L376 WeakPolarHBondContact OG-CD2 3.46Å
78A98Very high95.6Very high1 Ų126.3 Ų26.31%0.00814%0.141CC..Hα-helixtrans-63.4-41.4175.900000111.2T74 S75 I76 L81 S82 T147 R161 Q162T74-A78 PolarHBondContact O-N 2.91Å; S75-A78 PolarHBondContact O-N 3.27Å; I76-A78 VanDerWaalsContact C-N 3.34Å; I76-A78 PolarHBondContact O-N 3.21Å; A78-L81 PolarHBondContact O-N 2.91Å; A78-S82 WeakPolarHBondContact O-CB 3.47Å; A78-S82 PolarHBondContact O-N 2.79Å; A78-T147 HydrophobicContact CB-CG2 4.08Å; A78-R161 HydrophobicContact CB-CG 4Å; A78-Q162 CarbonylContact C-O 3.6Å
79G95.8Very high95.2Very high14 Ų1430.8 Ų30.814%0.14416%0.162CC..Hα-helixtrans-56.4-51.1172.100000112.6S75 I76 S77 L81 S82 R83 L160S75-G79 PolarHBondContact O-N 3.47Å; S75-G79 VanDerWaalsContact O-N 3.16Å; I76-G79 PolarHBondContact O-N 3.33Å; S77-G79 VanDerWaalsContact C-N 3.34Å; G79-L81 PolarHBondContact O-N 3.21Å; G79-S82 PolarHBondContact O-N 3.29Å; G79-S82 PolarHBondContact O-OG 3.45Å; G79-R83 WeakPolarHBondContact O-CG 3.49Å; G79-R83 PolarHBondContact O-N 2.9Å; G79-L160 WeakPolarHBondContact CA-O 3.33Å; G79-L160 PolarHBondContact N-O 3.36Å
80V96.4Very high94.7Very high7 Ų737.8 Ų37.84%0.04218%0.183CC..Hα-helixtrans-55.2-50.8175.4169.90000110.9I76 S77 S82 R83 L84 M346 L347 Y350 I372 L376I76-V80 WeakPolarHBondContact O-CG2 3.2Å; I76-V80 PolarHBondContact O-N 3.2Å; S77-V80 PolarHBondContact O-N 3.19Å; V80-S82 VanDerWaalsContact C-N 3.34Å; V80-S82 PolarHBondContact O-N 3.11Å; V80-R83 PolarHBondContact O-N 3.23Å; V80-L84 WeakPolarHBondContact O-CG 3.36Å; V80-M346 HydrophobicContact CG1-SD 4.42Å; V80-L347 HydrophobicContact CG2-CD2 3.63Å; V80-Y350 HydrophobicContact CB-CE2 4.45Å; V80-Y350 HydrophobicContact CG1-CD2 3.64Å; V80-Y350 HydrophobicContact CG1-CE2 3.81Å; V80-Y350 HydrophobicContact CG1-CG 4.26Å; V80-I372 HydrophobicContact CG1-CG2 3.69Å; V80-L376 HydrophobicContact CB-CD1 4.18Å; V80-L376 HydrophobicContact CG1-CD1 3.84Å
81L97Very high94.3Very high9 Ų939.4 Ų39.45%0.04719%0.194CC..Hα-helixtrans-59-43.6179.6-75.5176.3000112.6S77 A78 G79 R83 L84 P85 V164 P270 Q274 I373 L376S77-L81 WeakPolarHBondContact O-CG 3.27Å; S77-L81 PolarHBondContact O-N 2.71Å; A78-L81 PolarHBondContact O-N 2.91Å; G79-L81 PolarHBondContact O-N 3.21Å; L81-R83 PolarHBondContact O-N 3.32Å; L81-R83 VanDerWaalsContact O-N 3.13Å; L81-L84 HydrophobicContact CD2-CD1 3.87Å; L81-L84 PolarHBondContact O-N 2.78Å; L81-P85 WeakPolarHBondContact O-CD 3.13Å; L81-V164 HydrophobicContact CB-CG2 3.89Å; L81-P270 HydrophobicContact CD1-CB 3.61Å; L81-P270 HydrophobicContact CD1-CG 4.22Å; L81-Q274 HydrophobicContact CD1-CG 4.39Å; L81-I373 HydrophobicContact CD2-CG1 3.77Å; L81-L376 HydrophobicContact CD1-CD1 4.4Å; L81-L376 HydrophobicContact CD2-CD1 3.79Å; L81-L376 HydrophobicContact CG-CD1 3.66Å
82S94.9Very high94Very high27 Ų2742 Ų4219%0.18921%0.208CC..Hα-helixtrans-60-25.2-177.376.40000113.3A78 G79 V80A78-S82 WeakPolarHBondContact O-CB 3.47Å; A78-S82 PolarHBondContact O-N 2.79Å; G79-S82 PolarHBondContact O-N 3.29Å; G79-S82 PolarHBondContact O-OG 3.45Å; V80-S82 VanDerWaalsContact C-N 3.34Å; V80-S82 PolarHBondContact O-N 3.11Å
83R93.3Very high93.9Very high104 Ų10442.1 Ų42.139%0.39220%0.204SC..Hα-helixtrans-88.4-25.5-179.1-60.4-59.1-64.4164.8-5.1113.4G79 V80 L81 P85 S86 Y350 F354G79-R83 WeakPolarHBondContact O-CG 3.49Å; G79-R83 PolarHBondContact O-N 2.9Å; V80-R83 PolarHBondContact O-N 3.23Å; L81-R83 PolarHBondContact O-N 3.32Å; L81-R83 VanDerWaalsContact O-N 3.13Å; R83-P85 VanDerWaalsContact C-CD 3.41Å; R83-S86 WeakPolarHBondContact O-CB 3.4Å; R83-S86 PolarHBondContact O-N 2.8Å; R83-S86 PolarHBondContact O-OG 2.94Å; R83-Y350 WeakPolarHBondContact CB-OH 3.39Å; R83-F354 HydrophobicContact CB-CZ 3.94Å
84L94.8Very high93.7Very high8 Ų843.9 Ų43.94%0.04221%0.213CC..G310 helixtrans-54.8-38.9-175.3-59.5179000114.6V80 L81 S86 L87 Y350 F354 V369 I372 I373V80-L84 WeakPolarHBondContact O-CG 3.36Å; L81-L84 HydrophobicContact CD2-CD1 3.87Å; L81-L84 PolarHBondContact O-N 2.78Å; L84-S86 PolarHBondContact O-N 3.45Å; L84-S86 VanDerWaalsContact O-N 3.16Å; L84-L87 HydrophobicContact CD2-CD1 4.2Å; L84-L87 WeakPolarHBondContact O-CB 3.26Å; L84-L87 PolarHBondContact O-N 3.43Å; L84-L87 VanDerWaalsContact O-N 3.09Å; L84-Y350 HydrophobicContact CD2-CD2 4.07Å; L84-Y350 HydrophobicContact CD2-CE2 4.08Å; L84-F354 HydrophobicContact CD2-CE2 4.31Å; L84-V369 HydrophobicContact CB-CG1 4.45Å; L84-V369 HydrophobicContact CD1-CG1 4.21Å; L84-V369 HydrophobicContact CD2-CG2 4.46Å; L84-I372 HydrophobicContact CD1-CG2 3.96Å; L84-I372 HydrophobicContact CD2-CD1 4.21Å; L84-I372 HydrophobicContact CD2-CG2 4.23Å; L84-I373 HydrophobicContact CD1-CD1 4.17Å; L84-I373 HydrophobicContact CD1-CG1 3.69Å
85P93.8Very high93.5Very high25 Ų2547.2 Ų47.216%0.16223%0.233CC..G310 helixtrans-58.2-29.2177.7-25.233.8000114.2L81 R83 L87 F88 F89 V164L81-P85 WeakPolarHBondContact O-CD 3.13Å; R83-P85 VanDerWaalsContact C-CD 3.41Å; P85-L87 PolarHBondContact O-N 2.98Å; P85-F88 PolarHBondContact O-N 3.41Å; P85-F88 VanDerWaalsContact O-N 3.07Å; P85-F89 PolarHBondContact O-N 3Å; P85-V164 HydrophobicContact CG-CG1 3.73Å
86S91.3Very high93.4Very high58 Ų5848.5 Ų48.541%0.40624%0.242SC..G310 helixtrans-66.6-14.7179.870.80000113.9R83 L84 F88R83-S86 WeakPolarHBondContact O-CB 3.4Å; R83-S86 PolarHBondContact O-N 2.8Å; R83-S86 PolarHBondContact O-OG 2.94Å; L84-S86 PolarHBondContact O-N 3.45Å; L84-S86 VanDerWaalsContact O-N 3.16Å; S86-F88 VanDerWaalsContact C-N 3.31Å
87L92.3Very high93.5Very high15 Ų1546.7 Ų46.78%0.07923%0.233CC..G310 helixtrans-72.2-25.2173.3-65.7171.2000112.6L84 P85 T353 F354 T357 L365 V369L84-L87 HydrophobicContact CD2-CD1 4.2Å; L84-L87 WeakPolarHBondContact O-CB 3.26Å; L84-L87 PolarHBondContact O-N 3.43Å; L84-L87 VanDerWaalsContact O-N 3.09Å; P85-L87 PolarHBondContact O-N 2.98Å; L87-T353 HydrophobicContact CD1-CG2 4.08Å; L87-F354 HydrophobicContact CD1-CD2 4.4Å; L87-F354 HydrophobicContact CD1-CE2 3.77Å; L87-F354 HydrophobicContact CD1-CZ 3.95Å; L87-F354 HydrophobicContact CD2-CD1 3.75Å; L87-F354 HydrophobicContact CD2-CD2 4.04Å; L87-F354 HydrophobicContact CD2-CE1 3.63Å; L87-F354 HydrophobicContact CD2-CE2 3.91Å; L87-F354 HydrophobicContact CD2-CG 3.96Å; L87-F354 HydrophobicContact CD2-CZ 3.72Å; L87-F354 HydrophobicContact CG-CE1 3.97Å; L87-F354 HydrophobicContact CG-CE2 3.93Å; L87-F354 HydrophobicContact CG-CZ 3.62Å; L87-T357 HydrophobicContact CD2-CG2 3.91Å; L87-T357 WeakPolarHBondContact CD2-OG1 3.22Å; L87-L365 HydrophobicContact CB-CD1 4.27Å; L87-L365 HydrophobicContact CB-CD2 4.23Å; L87-L365 HydrophobicContact CB-CG 4.47Å; L87-L365 HydrophobicContact CD1-CD1 4.13Å; L87-L365 HydrophobicContact CD2-CD1 4.33Å; L87-L365 HydrophobicContact CG-CD1 4.49Å; L87-V369 HydrophobicContact CD1-CG2 3.62Å
88F91.4Very high93.4Very high68 Ų6849.2 Ų49.230%0.29825%0.246SC..THydrogen-bonded Turntrans-111.3-33.2-175.6-57.2-78.8000112.8P85 S86 L365 L366 V369P85-F88 PolarHBondContact O-N 3.41Å; P85-F88 VanDerWaalsContact O-N 3.07Å; S86-F88 VanDerWaalsContact C-N 3.31Å; F88-L365 HydrophobicContact CD1-CD2 4.24Å; F88-L365 HydrophobicContact CE1-CB 4.46Å; F88-L365 HydrophobicContact CE1-CD2 3.96Å; F88-L365 HydrophobicContact CE1-CG 3.9Å; F88-L365 HydrophobicContact CZ-CD2 4.49Å; F88-L365 HydrophobicContact CZ-CG 4.08Å; F88-L366 HydrophobicContact CE1-CB 4.48Å; F88-L366 HydrophobicContact CZ-CD1 4.38Å; F88-V369 HydrophobicContact CE2-CB 4.16Å; F88-V369 HydrophobicContact CE2-CG1 4.02Å; F88-V369 HydrophobicContact CE2-CG2 3.74Å; F88-V369 HydrophobicContact CZ-CB 4.05Å; F88-V369 HydrophobicContact CZ-CG1 4.32Å; F88-V369 HydrophobicContact CZ-CG2 3.74Å
89F87.7Confident93.4Very high142 Ų14255.3 Ų55.362%0.62327%0.27SS*.SBendtrans-124.4141.4-171.6-50.6-69.1000110.9P85P85-F89 PolarHBondContact O-N 3Å
90R84.2Confident93.5Very high225 Ų22556.2 Ų56.285%0.84927%0.271SS*.  trans-67.3150.9167.4-67.8-177.2179.6171.4-0.5109.6I92R90-I92 PolarHBondContact O-N 3.38Å
91S88.2Confident93.6Very high37 Ų3756.5 Ų56.526%0.25927%0.271SS..  trans-57.1120.7176.1172.20000110.3E93 L94 T95S91-E93 PolarHBondContact O-N 3.28Å; S91-E93 PolarHBondContact OG-N 3.49Å; S91-L94 PolarHBondContact O-N 3.02Å; S91-L94 PolarHBondContact OG-N 3.22Å; S91-T95 VanDerWaalsContact O-CB 3.27Å; S91-T95 WeakPolarHBondContact O-CB 3.24Å; S91-T95 PolarHBondContact O-N 2.97Å; S91-T95 PolarHBondContact O-OG1 2.94Å
92I91.8Very high93.6Very high63 Ų6361.4 Ų61.432%0.32329%0.293SS..Hα-helixtrans-59.4-36.6172.6-172.4167.5000110.5R90 T95 S96 I167 Y168R90-I92 PolarHBondContact O-N 3.38Å; I92-T95 PolarHBondContact O-N 3.3Å; I92-S96 VanDerWaalsContact O-CB 3.26Å; I92-S96 WeakPolarHBondContact O-CB 3.45Å; I92-S96 PolarHBondContact O-N 3.4Å; I92-S96 PolarHBondContact O-OG 3.23Å; I92-S96 VanDerWaalsContact O-OG 3.06Å; I92-I167 WeakPolarHBondContact CG2-O 3.5Å; I92-Y168 HydrophobicContact CG2-CD1 3.98Å
93E92.8Very high93.8Very high25 Ų2564.5 Ų64.512%0.11731%0.308CS..Hα-helixtrans-62.3-52.7179.6-177.8174.292.300112.1S91 Y97 S170 W171 Y174 Y186 L190S91-E93 PolarHBondContact O-N 3.28Å; S91-E93 PolarHBondContact OG-N 3.49Å; E93-Y97 VanDerWaalsContact O-CB 3.27Å; E93-Y97 WeakPolarHBondContact O-CB 3.25Å; E93-Y97 PolarHBondContact O-N 3.41Å; E93-S170 WeakPolarHBondContact OE2-CB 3.41Å; E93-S170 PolarHBondContact OE2-OG 2.94Å; E93-W171 HydrophobicContact CB-CB 3.92Å; E93-W171 HydrophobicContact CG-CB 4.07Å; E93-Y174 HydrophobicContact CG-CD2 4.23Å; E93-Y174 WeakPolarHBondContact OE2-CD2 3.46Å; E93-Y174 WeakPolarHBondContact OE2-CE2 3.47Å; E93-Y186 VanDerWaalsContact CG-OH 3.24Å; E93-Y186 WeakPolarHBondContact CG-OH 3.41Å; E93-L190 VanDerWaalsContact OE1-CD1 3.22Å; E93-L190 WeakPolarHBondContact OE1-CD1 3.44Å
94L93.3Very high94Very high47 Ų4765.9 Ų65.925%0.24631%0.314CS..Hα-helixtrans-68-39177.1-74.8170.7000111.9S91 Y97 I98 Y186 A187 L190S91-L94 PolarHBondContact O-N 3.02Å; S91-L94 PolarHBondContact OG-N 3.22Å; L94-Y97 PolarHBondContact O-N 2.9Å; L94-I98 WeakPolarHBondContact O-CB 3.49Å; L94-I98 WeakPolarHBondContact O-CD1 3.27Å; L94-I98 WeakPolarHBondContact O-CG1 3.42Å; L94-I98 PolarHBondContact O-N 2.72Å; L94-Y186 HydrophobicContact CD2-CD1 4.09Å; L94-Y186 HydrophobicContact CD2-CE1 3.95Å; L94-A187 HydrophobicContact CD2-CB 4.04Å; L94-L190 HydrophobicContact CD2-CD1 4.45Å
95T95Very high94.1Very high72 Ų7270 Ų7044%0.44233%0.329SS..Hα-helixtrans-64.6-47.1-178.5-55.80000111.3S91 I92 Y97 I98 Y99S91-T95 VanDerWaalsContact O-CB 3.27Å; S91-T95 WeakPolarHBondContact O-CB 3.24Å; S91-T95 PolarHBondContact O-N 2.97Å; S91-T95 PolarHBondContact O-OG1 2.94Å; I92-T95 PolarHBondContact O-N 3.3Å; T95-Y97 VanDerWaalsContact C-N 3.35Å; T95-I98 PolarHBondContact O-N 2.84Å; T95-Y99 WeakPolarHBondContact O-CB 3.29Å; T95-Y99 PolarHBondContact O-N 3.08Å
96S95.7Very high94.3Very high27 Ų2774.7 Ų74.719%0.18935%0.352CS..Hα-helixtrans-63.6-41.1175.9-66.30000111.6I92 Y99 I100I92-S96 VanDerWaalsContact O-CB 3.26Å; I92-S96 WeakPolarHBondContact O-CB 3.45Å; I92-S96 PolarHBondContact O-N 3.4Å; I92-S96 PolarHBondContact O-OG 3.23Å; I92-S96 VanDerWaalsContact O-OG 3.06Å; S96-Y99 PolarHBondContact O-N 2.84Å; S96-I100 WeakPolarHBondContact O-CG1 3.28Å; S96-I100 PolarHBondContact O-N 3.24Å
97Y97.3Very high94.5Very high2 Ų278.4 Ų78.41%0.00836%0.361CS..Hα-helixtrans-61-48.7178-165.9-77.2000112E93 L94 T95 Y99 I100 W101 Y174 L177 A178 I181 P183 Y186E93-Y97 VanDerWaalsContact O-CB 3.27Å; E93-Y97 WeakPolarHBondContact O-CB 3.25Å; E93-Y97 PolarHBondContact O-N 3.41Å; L94-Y97 PolarHBondContact O-N 2.9Å; T95-Y97 VanDerWaalsContact C-N 3.35Å; Y97-Y99 VanDerWaalsContact C-N 3.32Å; Y97-Y99 PolarHBondContact O-N 3.29Å; Y97-I100 PolarHBondContact O-N 2.8Å; Y97-W101 WeakPolarHBondContact O-CB 3.26Å; Y97-W101 PolarHBondContact O-N 3.33Å; Y97-Y174 WeakPolarHBondContact CE2-O 3.27Å; Y97-L177 HydrophobicContact CE2-CB 3.97Å; Y97-L177 WeakPolarHBondContact OH-CB 3.47Å; Y97-L177 PolarHBondContact OH-O 3.21Å; Y97-A178 HydrophobicContact CD1-CB 3.79Å; Y97-A178 HydrophobicContact CD2-CB 3.88Å; Y97-A178 HydrophobicContact CE1-CB 3.64Å; Y97-A178 HydrophobicContact CE2-CB 3.76Å; Y97-A178 HydrophobicContact CG-CB 3.9Å; Y97-A178 VanDerWaalsContact CZ-CA 3.41Å; Y97-A178 WeakPolarHBondContact OH-CA 3.21Å; Y97-A178 PolarHBondContact OH-N 3.48Å; Y97-I181 WeakPolarHBondContact OH-CB 3.35Å; Y97-I181 PolarHBondContact OH-O 3.46Å; Y97-P183 HydrophobicContact CD1-CB 4.31Å; Y97-P183 HydrophobicContact CD1-CG 4.26Å; Y97-P183 HydrophobicContact CE1-CB 4.46Å; Y97-P183 HydrophobicContact CE1-CG 4.31Å; Y97-Y186 AromaticContact CD1-CD1 3.75Å; Y97-Y186 HydrophobicContact CD1-CD1 3.75Å; Y97-Y186 HydrophobicContact CD1-CE1 4.18Å; Y97-Y186 HydrophobicContact CD1-CG 4.26Å; Y97-Y186 AromaticContact CD2-CD1 3.57Å; Y97-Y186 HydrophobicContact CD2-CD1 3.57Å; Y97-Y186 HydrophobicContact CD2-CD2 4.09Å; Y97-Y186 AromaticContact CD2-CE1 3.35Å; Y97-Y186 HydrophobicContact CD2-CE1 3.35Å; Y97-Y186 AromaticContact CD2-CE2 3.91Å; Y97-Y186 HydrophobicContact CD2-CE2 3.91Å; Y97-Y186 AromaticContact CD2-CG 3.91Å; Y97-Y186 HydrophobicContact CD2-CG 3.91Å; Y97-Y186 AromaticContact CD2-CZ 3.5Å; Y97-Y186 AromaticContact CE1-CD1 3.87Å; Y97-Y186 HydrophobicContact CE1-CD1 3.87Å; Y97-Y186 AromaticContact CE1-CG 3.9Å; Y97-Y186 HydrophobicContact CE1-CG 3.9Å; Y97-Y186 AromaticContact CE2-CD1 3.67Å; Y97-Y186 HydrophobicContact CE2-CD1 3.67Å; Y97-Y186 AromaticContact CE2-CD2 3.52Å; Y97-Y186 HydrophobicContact CE2-CD2 3.52Å; Y97-Y186 AromaticContact CE2-CE1 3.82Å; Y97-Y186 HydrophobicContact CE2-CE1 3.82Å; Y97-Y186 AromaticContact CE2-CE2 3.69Å; Y97-Y186 HydrophobicContact CE2-CE2 3.69Å; Y97-Y186 AromaticContact CE2-CG 3.49Å; Y97-Y186 HydrophobicContact CE2-CG 3.49Å; Y97-Y186 VanDerWaalsContact CE2-CG 3.49Å; Y97-Y186 AromaticContact CE2-CZ 3.81Å; Y97-Y186 AromaticContact CG-CD1 3.6Å; Y97-Y186 HydrophobicContact CG-CD1 3.6Å; Y97-Y186 AromaticContact CG-CE1 3.54Å; Y97-Y186 HydrophobicContact CG-CE1 3.54Å; Y97-Y186 HydrophobicContact CG-CG 4.27Å; Y97-Y186 AromaticContact CZ-CD1 3.83Å; Y97-Y186 AromaticContact CZ-CD2 3.89Å; Y97-Y186 AromaticContact CZ-CG 3.49Å; Y97-Y186 VanDerWaalsContact CZ-CG 3.49Å
98I97.1Very high94.5Very high58 Ų5882.9 Ų82.930%0.29739%0.385SS..Hα-helixtrans-62.2-42.1177.7-66.5162000110.5L33 L94 T95 I100 W101 E102 P183L33-I98 HydrophobicContact CD2-CD1 3.68Å; L94-I98 WeakPolarHBondContact O-CB 3.49Å; L94-I98 WeakPolarHBondContact O-CD1 3.27Å; L94-I98 WeakPolarHBondContact O-CG1 3.42Å; L94-I98 PolarHBondContact O-N 2.72Å; T95-I98 PolarHBondContact O-N 2.84Å; I98-I100 VanDerWaalsContact C-N 3.32Å; I98-I100 PolarHBondContact O-N 2.97Å; I98-W101 PolarHBondContact O-N 2.98Å; I98-E102 HydrophobicContact CG2-CG 4.17Å; I98-E102 WeakPolarHBondContact O-CG 3.49Å; I98-E102 PolarHBondContact O-N 3.42Å; I98-P183 HydrophobicContact CG1-CB 4.03Å; I98-P183 HydrophobicContact CG1-CG 4.22Å
99Y97.8Very high94.8Very high129 Ų12982.3 Ų82.351%0.50639%0.385SS..Hα-helixtrans-59-44.5177.6-180-98.4000111.6T95 S96 Y97 N103 Y104T95-Y99 WeakPolarHBondContact O-CB 3.29Å; T95-Y99 PolarHBondContact O-N 3.08Å; S96-Y99 PolarHBondContact O-N 2.84Å; Y97-Y99 VanDerWaalsContact C-N 3.32Å; Y97-Y99 PolarHBondContact O-N 3.29Å; Y99-N103 WeakPolarHBondContact O-CB 3.45Å; Y99-N103 PolarHBondContact O-N 2.59Å; Y99-N103 PolarHBondContact O-ND2 2.87Å; Y99-Y104 HydrophobicContact CD1-CE2 4.49Å; Y99-Y104 AromaticContact CE1-CE2 3.83Å; Y99-Y104 HydrophobicContact CE1-CE2 3.83Å
100I98.3Very high95.3Very high33 Ų3378.7 Ų78.717%0.16938%0.376CS..Hα-helixtrans-64.9-45.4176.2-64.2168.6000110.7S96 Y97 I98 E102 N103 Y104 R105 A178 L179S96-I100 WeakPolarHBondContact O-CG1 3.28Å; S96-I100 PolarHBondContact O-N 3.24Å; Y97-I100 PolarHBondContact O-N 2.8Å; I98-I100 VanDerWaalsContact C-N 3.32Å; I98-I100 PolarHBondContact O-N 2.97Å; I100-E102 PolarHBondContact O-N 3.38Å; I100-N103 PolarHBondContact O-N 3.07Å; I100-Y104 CarbonylContact O-C 3.59Å; I100-Y104 WeakPolarHBondContact O-CA 3.39Å; I100-Y104 PolarHBondContact O-N 3.44Å; I100-R105 PolarHBondContact O-N 3.5Å; I100-A178 HydrophobicContact CB-CB 3.83Å; I100-A178 HydrophobicContact CG2-CB 3.67Å; I100-L179 HydrophobicContact CG2-CD2 4.06Å
101W97.8Very high95.9Very high13 Ų1372 Ų725%0.04935%0.351CS..Hα-helixtrans-60-41.5179.7172.3-97.5000113.4Y97 I98 R105 N108 A178 I181 P182 P183Y97-W101 WeakPolarHBondContact O-CB 3.26Å; Y97-W101 PolarHBondContact O-N 3.33Å; I98-W101 PolarHBondContact O-N 2.98Å; W101-R105 HydrophobicContact CD2-CB 4.43Å; W101-R105 HydrophobicContact CE3-CB 4.08Å; W101-R105 HydrophobicContact CZ3-CB 4.36Å; W101-R105 VanDerWaalsContact NE1-NH1 3.13Å; W101-R105 VanDerWaalsContact O-CB 3.28Å; W101-R105 WeakPolarHBondContact O-CB 3.45Å; W101-R105 WeakPolarHBondContact O-CD 3.5Å; W101-R105 WeakPolarHBondContact O-CG 3.15Å; W101-R105 PolarHBondContact O-NH1 2.99Å; W101-R105 VanDerWaalsContact O-NH1 3.08Å; W101-N108 WeakPolarHBondContact CH2-OD1 3.27Å; W101-N108 VanDerWaalsContact CZ2-OD1 3.3Å; W101-N108 WeakPolarHBondContact CZ2-OD1 3.46Å; W101-A178 WeakPolarHBondContact CA-O 3.25Å; W101-A178 HydrophobicContact CB-CB 4.42Å; W101-A178 VanDerWaalsContact CE3-O 3.29Å; W101-I181 VanDerWaalsContact CE3-O 3.26Å; W101-I181 WeakPolarHBondContact CZ3-O 3.41Å; W101-P182 HydrophobicContact CH2-CB 4.08Å; W101-P182 HydrophobicContact CH2-CG 3.75Å; W101-P182 HydrophobicContact CZ2-CB 4.07Å; W101-P182 HydrophobicContact CZ2-CG 4.11Å; W101-P182 HydrophobicContact CZ3-CG 4.49Å; W101-P183 HydrophobicContact CB-CG 3.94Å; W101-P183 HydrophobicContact CD2-CG 4.11Å; W101-P183 HydrophobicContact CG-CG 3.57Å
102E97.4Very high96.3Very high111 Ų11174.8 Ų74.852%0.51936%0.363SS..Hα-helixtrans-79.4-24.3-178-66.4-55.9159.200113.7I98 I100 R105I98-E102 HydrophobicContact CG2-CG 4.17Å; I98-E102 WeakPolarHBondContact O-CG 3.49Å; I98-E102 PolarHBondContact O-N 3.42Å; I100-E102 PolarHBondContact O-N 3.38Å; E102-R105 IonicContact OE1-NH1 3.83Å; E102-R105 IonicContact OE2-CZ 3.85Å; E102-R105 IonicContact OE2-NH1 2.88Å; E102-R105 PolarHBondContact OE2-NH1 3.06Å; E102-R105 IonicContact OE2-NH2 3.91Å
103N98.2Very high96.5Very high93 Ų9373 Ų7350%0.49736%0.355SS..Hα-helixtrans-110.3-24.5-172.9-64.1-86.8000114.2Y99 I100Y99-N103 WeakPolarHBondContact O-CB 3.45Å; Y99-N103 PolarHBondContact O-N 2.59Å; Y99-N103 PolarHBondContact O-ND2 2.87Å; I100-N103 PolarHBondContact O-N 3.07Å
104Y97.9Very high96.8Very high133 Ų13374.9 Ų74.952%0.52237%0.37SS..Hα-helixtrans-135.15.6-168.5-56.9-80.4000114.5Y99 I100 L106 L179Y99-Y104 HydrophobicContact CD1-CE2 4.49Å; Y99-Y104 AromaticContact CE1-CE2 3.83Å; Y99-Y104 HydrophobicContact CE1-CE2 3.83Å; I100-Y104 CarbonylContact O-C 3.59Å; I100-Y104 WeakPolarHBondContact O-CA 3.39Å; I100-Y104 PolarHBondContact O-N 3.44Å; Y104-L106 PolarHBondContact O-N 3.14Å; Y104-L179 VanDerWaalsContact O-CD2 3.26Å; Y104-L179 WeakPolarHBondContact O-CD2 3.28Å
105R97.1Very high97Very high95 Ų9582.3 Ų82.336%0.35840%0.395SS..  trans-58.9135.3177.967.9179.9173.9-111.40.3111.6I100 W101 E102I100-R105 PolarHBondContact O-N 3.5Å; W101-R105 HydrophobicContact CD2-CB 4.43Å; W101-R105 HydrophobicContact CE3-CB 4.08Å; W101-R105 HydrophobicContact CZ3-CB 4.36Å; W101-R105 VanDerWaalsContact NE1-NH1 3.13Å; W101-R105 VanDerWaalsContact O-CB 3.28Å; W101-R105 WeakPolarHBondContact O-CB 3.45Å; W101-R105 WeakPolarHBondContact O-CD 3.5Å; W101-R105 WeakPolarHBondContact O-CG 3.15Å; W101-R105 PolarHBondContact O-NH1 2.99Å; W101-R105 VanDerWaalsContact O-NH1 3.08Å; E102-R105 IonicContact OE1-NH1 3.83Å; E102-R105 IonicContact OE2-CZ 3.85Å; E102-R105 IonicContact OE2-NH1 2.88Å; E102-R105 PolarHBondContact OE2-NH1 3.06Å; E102-R105 IonicContact OE2-NH2 3.91Å
106L97.5Very high97.1Very high122 Ų12279 Ų7964%0.63938%0.375SS*.SBendtrans-90.5-37.4177.2-60.4178.8000111Y104 L179Y104-L106 PolarHBondContact O-N 3.14Å; L106-L179 HydrophobicContact CD1-CB 4.49Å; L106-L179 HydrophobicContact CD1-CD1 4.37Å; L106-L179 HydrophobicContact CG-CB 4.38Å; L106-L179 PolarHBondContact N-O 3.04Å
107F95.4Very high97.3Very high136 Ų13678.2 Ų78.260%0.59637%0.368SS*.  trans-131.6151.2179.6-57.2-74.7000110.3L179 F180F107-L179 PolarHBondContact N-O 3Å; F107-L179 VanDerWaalsContact N-O 3.1Å; F107-F180 HydrophobicContact CB-CB 4.19Å; F107-F180 WeakPolarHBondContact O-CA 3.45Å
108N93.5Very high97.3Very high110 Ų11083.5 Ų83.559%0.58839%0.388SS*.  trans-113.485.2173.4-174.718.9000108.8W101W101-N108 WeakPolarHBondContact CH2-OD1 3.27Å; W101-N108 VanDerWaalsContact CZ2-OD1 3.3Å; W101-N108 WeakPolarHBondContact CZ2-OD1 3.46Å
109L97.1Very high97.3Very high56 Ų5683.3 Ų83.329%0.29339%0.392SS..  trans-67.4137.1177.1-67.2175.9000110W111 T116 F180 I181 P182L109-W111 PolarHBondContact O-N 3.01Å; L109-T116 HydrophobicContact CB-CG2 3.76Å; L109-F180 VanDerWaalsContact CB-O 3.28Å; L109-F180 WeakPolarHBondContact CB-O 3.45Å; L109-F180 HydrophobicContact CD1-CB 4.18Å; L109-F180 HydrophobicContact CD1-CD2 4.13Å; L109-F180 WeakPolarHBondContact CD1-O 3.47Å; L109-F180 HydrophobicContact CG-CB 4.47Å; L109-F180 VanDerWaalsContact CG-O 3.28Å; L109-F180 WeakPolarHBondContact CG-O 3.29Å; L109-F180 PolarHBondContact N-O 3.17Å; L109-I181 HydrophobicContact CD1-CD1 3.85Å; L109-P182 WeakPolarHBondContact O-CG 3.16Å
110P97.3Very high97.4Very high65 Ų6577.2 Ų77.242%0.42237%0.368SS..  trans-62.3128.8-177.920.8-29.9000111.1D112 S113 T116P110-D112 WeakPolarHBondContact CB-OD1 3.25Å; P110-D112 PolarHBondContact O-N 3.07Å; P110-S113 PolarHBondContact O-N 3.02Å; P110-T116 WeakPolarHBondContact O-CB 3.35Å; P110-T116 WeakPolarHBondContact O-CG2 3.44Å; P110-T116 PolarHBondContact O-OG1 3.15Å
111W97.1Very high97.4Very high85 Ų8577.2 Ų77.232%0.32237%0.367SS..THydrogen-bonded Turntrans-66-26.1-17662.9-94.4000113.2S29 Q31 L109 P182 V185S29-W111 WeakPolarHBondContact CB-O 3.28Å; Q31-W111 HydrophobicContact CB-CD2 3.92Å; Q31-W111 HydrophobicContact CB-CE3 4.33Å; Q31-W111 HydrophobicContact CB-CG 4.44Å; Q31-W111 HydrophobicContact CB-CH2 4.17Å; Q31-W111 HydrophobicContact CB-CZ2 3.75Å; Q31-W111 HydrophobicContact CB-CZ3 4.44Å; Q31-W111 HydrophobicContact CG-CD2 4.37Å; Q31-W111 HydrophobicContact CG-CZ2 4.18Å; L109-W111 PolarHBondContact O-N 3.01Å; W111-P182 HydrophobicContact CB-CB 4.46Å; W111-P182 HydrophobicContact CB-CG 4.3Å; W111-V185 HydrophobicContact CB-CG2 4.2Å
112D96.4Very high97.4Very high96 Ų9680.4 Ų80.451%0.51339%0.385SS..THydrogen-bonded Turntrans-941.4-178.162.5-22.5000113.4P110P110-D112 WeakPolarHBondContact CB-OD1 3.25Å; P110-D112 PolarHBondContact O-N 3.07Å
113S97.6Very high97.5Very high24 Ų2475.7 Ų75.717%0.16837%0.366CS..  trans-82.8128.3178.71710000111.8P110 W115 T116 W117P110-S113 PolarHBondContact O-N 3.02Å; S113-W115 PolarHBondContact O-N 3.3Å; S113-W115 VanDerWaalsContact O-N 3.16Å; S113-W115 PolarHBondContact OG-N 3.08Å; S113-T116 WeakPolarHBondContact CB-OG1 3.47Å; S113-T116 WeakPolarHBondContact O-CB 3.48Å; S113-T116 PolarHBondContact O-N 2.91Å; S113-W117 PolarHBondContact O-N 3.41Å; S113-W117 VanDerWaalsContact O-N 3.11Å
114P97.7Very high97.5Very high66 Ų6671.3 Ų71.343%0.42934%0.343SS..Hα-helixtrans-55.3-31.3171-2735.5000113.3P25 W117 Y118P25-P114 HydrophobicContact CB-CB 4.31Å; P25-P114 HydrophobicContact CG-CB 4.24Å; P114-W117 WeakPolarHBondContact O-CB 3.44Å; P114-W117 PolarHBondContact O-N 3.1Å; P114-Y118 HydrophobicContact CB-CE2 4.37Å; P114-Y118 WeakPolarHBondContact O-CD2 3.49Å; P114-Y118 PolarHBondContact O-N 3.12Å
115W97.9Very high97.5Very high203 Ų20365 Ų6577%0.76932%0.318SS*.Hα-helixtrans-70-38177.7-66.4111.6000112.4S113 W117 S119S113-W115 PolarHBondContact O-N 3.3Å; S113-W115 VanDerWaalsContact O-N 3.16Å; S113-W115 PolarHBondContact OG-N 3.08Å; W115-W117 VanDerWaalsContact C-N 3.29Å; W115-S119 VanDerWaalsContact O-CB 3.25Å; W115-S119 WeakPolarHBondContact O-CB 3.27Å; W115-S119 PolarHBondContact O-N 3.18Å; W115-S119 PolarHBondContact O-OG 3.46Å
116T98.2Very high97.6Very high3 Ų364.1 Ų64.12%0.01832%0.317CS..Hα-helixtrans-62.7-42.2172.8-52.50000110L109 P110 S113 S119 A120 I181 V185L109-T116 HydrophobicContact CB-CG2 3.76Å; P110-T116 WeakPolarHBondContact O-CB 3.35Å; P110-T116 WeakPolarHBondContact O-CG2 3.44Å; P110-T116 PolarHBondContact O-OG1 3.15Å; S113-T116 WeakPolarHBondContact CB-OG1 3.47Å; S113-T116 WeakPolarHBondContact O-CB 3.48Å; S113-T116 PolarHBondContact O-N 2.91Å; T116-S119 PolarHBondContact O-N 3.07Å; T116-A120 WeakPolarHBondContact O-CB 3.41Å; T116-A120 PolarHBondContact O-N 3.32Å; T116-I181 HydrophobicContact CG2-CD1 4.09Å; T116-V185 HydrophobicContact CG2-CG1 4.43Å; T116-V185 HydrophobicContact CG2-CG2 4.45Å
117W98.2Very high97.7Very high9 Ų958.5 Ų58.53%0.03429%0.288CS..Hα-helixtrans-60.2-53176.4-166.5100.2000111.9Y21 P25 T28 S113 P114 W115 S119 A120 F121 H189 F192Y21-W117 HydrophobicContact CD2-CH2 4.16Å; Y21-W117 AromaticContact CE2-CH2 4Å; Y21-W117 HydrophobicContact CE2-CH2 4Å; Y21-W117 HydrophobicContact CE2-CZ2 4.28Å; P25-W117 HydrophobicContact CB-CB 3.95Å; P25-W117 HydrophobicContact CB-CD2 4.18Å; P25-W117 HydrophobicContact CB-CG 3.74Å; P25-W117 HydrophobicContact CG-CB 4.12Å; P25-W117 HydrophobicContact CG-CD2 3.77Å; P25-W117 HydrophobicContact CG-CE3 3.98Å; P25-W117 HydrophobicContact CG-CG 3.82Å; T28-W117 PolarHBondContact OG1-NE1 3Å; S113-W117 PolarHBondContact O-N 3.41Å; S113-W117 VanDerWaalsContact O-N 3.11Å; P114-W117 WeakPolarHBondContact O-CB 3.44Å; P114-W117 PolarHBondContact O-N 3.1Å; W115-W117 VanDerWaalsContact C-N 3.29Å; W117-S119 VanDerWaalsContact C-N 3.31Å; W117-S119 PolarHBondContact O-N 3.07Å; W117-A120 PolarHBondContact O-N 2.68Å; W117-F121 HydrophobicContact CZ3-CB 4.29Å; W117-F121 PolarHBondContact O-N 3.14Å; W117-H189 AromaticContact CD1-NE2 3.5Å; W117-H189 AromaticContact CD2-CE1 3.35Å; W117-H189 AromaticContact CD2-NE2 3.49Å; W117-H189 AromaticContact CE2-CE1 3.3Å; W117-H189 AromaticContact CE2-NE2 3.55Å; W117-H189 AromaticContact CE3-CE1 3.66Å; W117-H189 AromaticContact CG-CE1 3.87Å; W117-H189 AromaticContact CG-NE2 3.47Å; W117-H189 AromaticContact CH2-CE1 3.86Å; W117-H189 AromaticContact CZ2-CE1 3.58Å; W117-H189 AromaticContact CZ3-CE1 3.89Å; W117-H189 AromaticContact NE1-CE1 3.79Å; W117-H189 AromaticContact NE1-NE2 3.56Å; W117-H189 PolarHBondContact O-CE1 2.86Å; W117-H189 PolarHBondContact O-NE2 2.97Å; W117-F192 HydrophobicContact CZ2-CD2 4.42Å; W117-F192 HydrophobicContact CZ2-CE2 4.4Å
118Y98.1Very high97.8Very high114 Ų11452.6 Ų52.645%0.44726%0.262SS..Hα-helixtrans-65.6-33.4178.6-69.4-58.4000112.9P25 P114 F121 L122P25-Y118 HydrophobicContact CG-CE2 4.36Å; P114-Y118 HydrophobicContact CB-CE2 4.37Å; P114-Y118 WeakPolarHBondContact O-CD2 3.49Å; P114-Y118 PolarHBondContact O-N 3.12Å; Y118-F121 WeakPolarHBondContact O-CB 3.35Å; Y118-F121 PolarHBondContact O-N 3.33Å; Y118-L122 WeakPolarHBondContact O-CG 3.37Å; Y118-L122 PolarHBondContact O-N 2.83Å; Y118-L122 VanDerWaalsContact O-N 3.08Å
119S98Very high98.1Very high54 Ų5447.4 Ų47.438%0.37823%0.234SC..Hα-helixtrans-66.2-40.4174.5-58.50000111.5W115 T116 W117 G123W115-S119 VanDerWaalsContact O-CB 3.25Å; W115-S119 WeakPolarHBondContact O-CB 3.27Å; W115-S119 PolarHBondContact O-N 3.18Å; W115-S119 PolarHBondContact O-OG 3.46Å; T116-S119 PolarHBondContact O-N 3.07Å; W117-S119 VanDerWaalsContact C-N 3.31Å; W117-S119 PolarHBondContact O-N 3.07Å; S119-G123 PolarHBondContact O-N 2.77Å
120A98.5Very high98.1Very high0 Ų048.4 Ų48.40%023%0.234CC..Hα-helixtrans-67.5-39.6175.400000112T116 W117 G123 V124 I181 V185 H189T116-A120 WeakPolarHBondContact O-CB 3.41Å; T116-A120 PolarHBondContact O-N 3.32Å; W117-A120 PolarHBondContact O-N 2.68Å; A120-G123 PolarHBondContact O-N 3.18Å; A120-V124 VanDerWaalsContact O-CB 3.3Å; A120-V124 WeakPolarHBondContact O-CB 3.39Å; A120-V124 VanDerWaalsContact O-CG2 3.3Å; A120-V124 WeakPolarHBondContact O-CG2 3.39Å; A120-V124 PolarHBondContact O-N 3.14Å; A120-I181 HydrophobicContact CB-CD1 4.16Å; A120-I181 HydrophobicContact CB-CG1 4.4Å; A120-I181 HydrophobicContact CB-CG2 3.74Å; A120-V185 HydrophobicContact CB-CG1 3.53Å; A120-H189 WeakPolarHBondContact CB-CD2 3.44Å
121F98.5Very high98.2Very high34 Ų3445.5 Ų45.515%0.14922%0.215CC..Hα-helixtrans-54.3-55.9171.6162.9-112.4000111.7Y21 W117 Y118 G123 D125 H189 V239 L240Y21-F121 HydrophobicContact CD1-CD2 4.2Å; Y21-F121 HydrophobicContact CD1-CE2 4.01Å; Y21-F121 HydrophobicContact CD2-CD2 4.16Å; Y21-F121 HydrophobicContact CD2-CE2 4.42Å; Y21-F121 AromaticContact CE1-CD2 3.72Å; Y21-F121 HydrophobicContact CE1-CD2 3.72Å; Y21-F121 AromaticContact CE1-CE2 3.91Å; Y21-F121 HydrophobicContact CE1-CE2 3.91Å; Y21-F121 AromaticContact CE2-CD2 3.68Å; Y21-F121 HydrophobicContact CE2-CD2 3.68Å; Y21-F121 HydrophobicContact CE2-CE2 4.34Å; Y21-F121 HydrophobicContact CG-CD2 4.41Å; Y21-F121 HydrophobicContact CG-CE2 4.27Å; Y21-F121 AromaticContact CZ-CD2 3.46Å; Y21-F121 VanDerWaalsContact CZ-CD2 3.46Å; W117-F121 HydrophobicContact CZ3-CB 4.29Å; W117-F121 PolarHBondContact O-N 3.14Å; Y118-F121 WeakPolarHBondContact O-CB 3.35Å; Y118-F121 PolarHBondContact O-N 3.33Å; F121-G123 VanDerWaalsContact C-N 3.35Å; F121-G123 PolarHBondContact O-N 3.31Å; F121-D125 WeakPolarHBondContact O-CB 3.3Å; F121-D125 PolarHBondContact O-N 3.38Å; F121-H189 WeakPolarHBondContact CA-ND1 3.5Å; F121-H189 PolarHBondContact N-ND1 3.5Å; F121-V239 HydrophobicContact CE2-CB 4.42Å; F121-V239 HydrophobicContact CE2-CG1 4.07Å; F121-V239 HydrophobicContact CZ-CG1 4.26Å; F121-L240 HydrophobicContact CE1-CD1 3.9Å; F121-L240 HydrophobicContact CZ-CD1 3.84Å; F121-L240 HydrophobicContact CZ-CD2 4.1Å; F121-L240 HydrophobicContact CZ-CG 3.99Å
122L98.6Very high98.3Very high79 Ų7941.4 Ų41.441%0.41420%0.2SC..Hα-helixtrans-63.7-41.9-179.9-69.4173.8000111.7Y118 D125 F126 L240Y118-L122 WeakPolarHBondContact O-CG 3.37Å; Y118-L122 PolarHBondContact O-N 2.83Å; Y118-L122 VanDerWaalsContact O-N 3.08Å; L122-D125 PolarHBondContact O-N 2.84Å; L122-F126 WeakPolarHBondContact O-CB 3.27Å; L122-F126 PolarHBondContact O-N 3.48Å; L122-L240 HydrophobicContact CD2-CD1 3.86Å
123G98.6Very high98.4Very high13 Ų1339.1 Ų39.113%0.13418%0.184CC..Hα-helixtrans-64.6-45.1-179.500000112.8S119 A120 F121 F126 G127 L177S119-G123 PolarHBondContact O-N 2.77Å; A120-G123 PolarHBondContact O-N 3.18Å; F121-G123 VanDerWaalsContact C-N 3.35Å; F121-G123 PolarHBondContact O-N 3.31Å; G123-F126 PolarHBondContact O-N 3.21Å; G123-G127 PolarHBondContact O-N 3.08Å; G123-L177 VanDerWaalsContact C-CD1 3.44Å
124V98.6Very high98.4Very high0 Ų039.5 Ų39.50%018%0.183CC..Hα-helixtrans-66.8-43.8177.1169.30000110.6A120 F126 G127 Y128 Y174 L177 Y186 H189 L190 N193A120-V124 VanDerWaalsContact O-CB 3.3Å; A120-V124 WeakPolarHBondContact O-CB 3.39Å; A120-V124 VanDerWaalsContact O-CG2 3.3Å; A120-V124 WeakPolarHBondContact O-CG2 3.39Å; A120-V124 PolarHBondContact O-N 3.14Å; V124-F126 VanDerWaalsContact C-N 3.32Å; V124-F126 PolarHBondContact O-N 3.45Å; V124-G127 PolarHBondContact O-N 3.26Å; V124-Y128 WeakPolarHBondContact O-CB 3.37Å; V124-Y128 PolarHBondContact O-N 2.88Å; V124-Y174 HydrophobicContact CG1-CE1 4.18Å; V124-L177 HydrophobicContact CG2-CD1 3.91Å; V124-Y186 HydrophobicContact CG2-CD2 3.77Å; V124-Y186 HydrophobicContact CG2-CE2 4.09Å; V124-H189 HydrophobicContact CB-CB 4.14Å; V124-H189 HydrophobicContact CG1-CB 4.46Å; V124-H189 HydrophobicContact CG2-CB 3.78Å; V124-L190 HydrophobicContact CG1-CD2 4.25Å; V124-N193 HydrophobicContact CG1-CB 4.01Å
125D98.8Very high98.4Very high0 Ų036.4 Ų36.40%016%0.163CC..Hα-helixtrans-64.7-37.9178.5-165.957.1000112.4F121 L122 Y128 Y129 N193 V239 L240 W243F121-D125 WeakPolarHBondContact O-CB 3.3Å; F121-D125 PolarHBondContact O-N 3.38Å; L122-D125 PolarHBondContact O-N 2.84Å; D125-Y128 PolarHBondContact O-N 3.4Å; D125-Y129 PolarHBondContact O-N 3.17Å; D125-N193 PolarHBondContact OD1-ND2 2.77Å; D125-V239 VanDerWaalsContact OD1-CB 3.28Å; D125-V239 WeakPolarHBondContact OD1-CB 3.35Å; D125-V239 WeakPolarHBondContact OD1-CG2 3.36Å; D125-V239 PolarHBondContact OD1-N 3.02Å; D125-L240 VanDerWaalsContact OD2-CB 3.29Å; D125-L240 WeakPolarHBondContact OD2-CB 3.27Å; D125-L240 WeakPolarHBondContact OD2-CG 3.46Å; D125-L240 PolarHBondContact OD2-N 3.01Å; D125-L240 VanDerWaalsContact OD2-N 3.07Å; D125-W243 PolarHBondContact OD2-NE1 3.11Å
126F98.7Very high98.5Very high77 Ų7727.4 Ų27.434%0.33813%0.13SC..Hα-helixtrans-66.2-42.9172.7-177.6-104000112.8L122 G123 V124 Y128 Y129 W130 W243 F247L122-F126 WeakPolarHBondContact O-CB 3.27Å; L122-F126 PolarHBondContact O-N 3.48Å; G123-F126 PolarHBondContact O-N 3.21Å; V124-F126 VanDerWaalsContact C-N 3.32Å; V124-F126 PolarHBondContact O-N 3.45Å; F126-Y128 VanDerWaalsContact C-N 3.29Å; F126-Y128 PolarHBondContact O-N 3.49Å; F126-Y129 WeakPolarHBondContact O-CB 3.1Å; F126-Y129 PolarHBondContact O-N 2.55Å; F126-W130 AromaticContact CE1-CD1 3.61Å; F126-W130 AromaticContact CE1-NE1 3.58Å; F126-W130 AromaticContact CE2-CD1 3.97Å; F126-W130 AromaticContact CE2-NE1 3.48Å; F126-W130 AromaticContact CZ-CD1 3.6Å; F126-W130 AromaticContact CZ-NE1 3.09Å; F126-W130 PolarHBondContact O-N 2.81Å; F126-W243 HydrophobicContact CB-CH2 4.29Å; F126-W243 HydrophobicContact CB-CZ2 3.97Å; F126-W243 AromaticContact CD2-CD2 3.98Å; F126-W243 HydrophobicContact CD2-CD2 3.98Å; F126-W243 AromaticContact CD2-CE3 3.67Å; F126-W243 HydrophobicContact CD2-CE3 3.67Å; F126-W243 AromaticContact CD2-CH2 3.94Å; F126-W243 HydrophobicContact CD2-CH2 3.94Å; F126-W243 HydrophobicContact CD2-CZ2 4.23Å; F126-W243 AromaticContact CD2-CZ3 3.65Å; F126-W243 HydrophobicContact CD2-CZ3 3.65Å; F126-W243 HydrophobicContact CE2-CE3 4.18Å; F126-W243 HydrophobicContact CE2-CZ3 4.16Å; F126-F247 HydrophobicContact CD2-CE2 4.42Å; F126-F247 AromaticContact CE2-CE2 3.65Å; F126-F247 HydrophobicContact CE2-CE2 3.65Å; F126-F247 AromaticContact CE2-CZ 3.7Å; F126-F247 HydrophobicContact CE2-CZ 3.7Å; F126-F247 HydrophobicContact CZ-CE2 4.49Å; F126-F247 HydrophobicContact CZ-CZ 4.17Å
127G98.4Very high98.5Very high4 Ų428 Ų284%0.04113%0.132CC..Hα-helixtrans-60.6-41.3174.200000111.6G123 V124 W130 F131 F173G123-G127 PolarHBondContact O-N 3.08Å; V124-G127 PolarHBondContact O-N 3.26Å; G127-W130 PolarHBondContact O-N 2.8Å; G127-F131 WeakPolarHBondContact O-CB 3.46Å; G127-F131 PolarHBondContact O-N 3.35Å; G127-F173 WeakPolarHBondContact O-CB 3.26Å
128Y98.5Very high98.5Very high13 Ų1328.2 Ų28.25%0.05114%0.135CC..Hα-helixtrans-61.3-47.2174.5-179.3-86.9000111.3V124 D125 F126 W130 F131 H132 Q197 G238V124-Y128 WeakPolarHBondContact O-CB 3.37Å; V124-Y128 PolarHBondContact O-N 2.88Å; D125-Y128 PolarHBondContact O-N 3.4Å; F126-Y128 VanDerWaalsContact C-N 3.29Å; F126-Y128 PolarHBondContact O-N 3.49Å; Y128-W130 VanDerWaalsContact C-N 3.31Å; Y128-W130 PolarHBondContact O-N 3.08Å; Y128-F131 HydrophobicContact CD2-CD1 4.1Å; Y128-F131 HydrophobicContact CE2-CD1 4.11Å; Y128-F131 HydrophobicContact CE2-CE1 4.15Å; Y128-F131 PolarHBondContact O-N 2.78Å; Y128-H132 HydrophobicContact CD1-CB 4.26Å; Y128-H132 HydrophobicContact CE1-CB 3.8Å; Y128-H132 AromaticContact CE1-CG 3.85Å; Y128-H132 AromaticContact CE1-ND1 3.46Å; Y128-H132 WeakPolarHBondContact CE1-ND1 3.32Å; Y128-H132 AromaticContact CZ-CG 3.91Å; Y128-H132 AromaticContact CZ-ND1 3.74Å; Y128-H132 VanDerWaalsContact O-CB 3.25Å; Y128-H132 WeakPolarHBondContact O-CB 3.42Å; Y128-H132 PolarHBondContact O-N 2.98Å; Y128-H132 PolarHBondContact OH-CE1 3.11Å; Y128-H132 PolarHBondContact OH-ND1 3.42Å; Y128-Q197 VanDerWaalsContact CZ-CD 3.44Å; Y128-Q197 PolarHBondContact OH-OE1 3.16Å; Y128-G238 VanDerWaalsContact CD1-CA 3.44Å; Y128-G238 VanDerWaalsContact CE1-CA 3.45Å
129Y98.8Very high98.5Very high0 Ų023.4 Ų23.40%012%0.116CC..Hα-helixtrans-52.4-48.2177.4171.1-92.3000111.9D125 F126 H132 R133 Y236 W243 D244 F247 T249D125-Y129 PolarHBondContact O-N 3.17Å; F126-Y129 WeakPolarHBondContact O-CB 3.1Å; F126-Y129 PolarHBondContact O-N 2.55Å; Y129-H132 PolarHBondContact O-N 2.82Å; Y129-R133 VanDerWaalsContact O-CB 3.28Å; Y129-R133 WeakPolarHBondContact O-CB 3.26Å; Y129-R133 PolarHBondContact O-N 3.36Å; Y129-R133 PolarHBondContact OH-NH1 3.45Å; Y129-Y236 HydrophobicContact CE2-CD2 4.19Å; Y129-W243 HydrophobicContact CD1-CB 4.2Å; Y129-W243 HydrophobicContact CD2-CB 3.43Å; Y129-W243 VanDerWaalsContact CD2-CB 3.43Å; Y129-W243 HydrophobicContact CD2-CG 4.39Å; Y129-W243 HydrophobicContact CE2-CB 3.91Å; Y129-W243 HydrophobicContact CG-CB 3.61Å; Y129-W243 HydrophobicContact CG-CG 4.25Å; Y129-D244 WeakPolarHBondContact CE2-OD1 3.22Å; Y129-F247 AromaticContact CD1-CD2 3.97Å; Y129-F247 HydrophobicContact CD1-CD2 3.97Å; Y129-F247 HydrophobicContact CD1-CE2 4.2Å; Y129-F247 HydrophobicContact CE1-CB 4.12Å; Y129-F247 AromaticContact CE1-CD2 3.32Å; Y129-F247 HydrophobicContact CE1-CD2 3.32Å; Y129-F247 AromaticContact CE1-CE2 3.94Å; Y129-F247 HydrophobicContact CE1-CE2 3.94Å; Y129-F247 AromaticContact CE1-CG 3.89Å; Y129-F247 HydrophobicContact CE1-CG 3.89Å; Y129-F247 AromaticContact CZ-CD2 3.71Å; Y129-F247 WeakPolarHBondContact OH-CB 3.11Å; Y129-T249 PolarHBondContact OH-OG1 3.32Å
130W98.7Very high98.4Very high78 Ų7823.8 Ų23.830%0.29511%0.114SC..Hα-helixtrans-70-40.3179.9-79.9105.7000113.4F126 G127 Y128 H132 M134 F173 F247F126-W130 AromaticContact CE1-CD1 3.61Å; F126-W130 AromaticContact CE1-NE1 3.58Å; F126-W130 AromaticContact CE2-CD1 3.97Å; F126-W130 AromaticContact CE2-NE1 3.48Å; F126-W130 AromaticContact CZ-CD1 3.6Å; F126-W130 AromaticContact CZ-NE1 3.09Å; F126-W130 PolarHBondContact O-N 2.81Å; G127-W130 PolarHBondContact O-N 2.8Å; Y128-W130 VanDerWaalsContact C-N 3.31Å; Y128-W130 PolarHBondContact O-N 3.08Å; W130-H132 VanDerWaalsContact C-N 3.32Å; W130-M134 HydrophobicContact CE3-CE 4.04Å; W130-M134 HydrophobicContact CZ3-CE 4.03Å; W130-M134 WeakPolarHBondContact O-CB 3.24Å; W130-M134 VanDerWaalsContact O-CG 3.29Å; W130-M134 WeakPolarHBondContact O-CG 3.5Å; W130-M134 PolarHBondContact O-N 2.81Å; W130-F173 HydrophobicContact CB-CD1 3.76Å; W130-F173 HydrophobicContact CB-CE1 4.25Å; W130-F247 HydrophobicContact CH2-CE1 4.48Å; W130-F247 HydrophobicContact CZ2-CD1 4.1Å; W130-F247 AromaticContact CZ2-CE1 3.7Å; W130-F247 HydrophobicContact CZ2-CE1 3.7Å; W130-F247 HydrophobicContact CZ2-CE2 4.34Å; W130-F247 AromaticContact CZ2-CZ 3.84Å; W130-F247 HydrophobicContact CZ2-CZ 3.84Å
131F98.4Very high98.4Very high3 Ų324.8 Ų24.81%0.01312%0.119CC..Hα-helixtrans-56.1-51.2172154.2-108.7000110.2G127 Y128 M134 A135 M141 Q166 F173G127-F131 WeakPolarHBondContact O-CB 3.46Å; G127-F131 PolarHBondContact O-N 3.35Å; Y128-F131 HydrophobicContact CD2-CD1 4.1Å; Y128-F131 HydrophobicContact CE2-CD1 4.11Å; Y128-F131 HydrophobicContact CE2-CE1 4.15Å; Y128-F131 PolarHBondContact O-N 2.78Å; F131-M134 CarbonylContact O-C 2.95Å; F131-M134 PolarHBondContact O-N 3.23Å; F131-A135 HydrophobicContact CE2-CB 4.03Å; F131-A135 HydrophobicContact CZ-CB 4.15Å; F131-A135 WeakPolarHBondContact O-CB 3.22Å; F131-A135 PolarHBondContact O-N 3.05Å; F131-M141 HydrophobicContact CD2-CE 3.88Å; F131-M141 HydrophobicContact CE2-CE 4.15Å; F131-Q166 HydrophobicContact CE1-CG 4.39Å; F131-Q166 HydrophobicContact CE2-CG 4.17Å; F131-Q166 HydrophobicContact CZ-CG 3.49Å; F131-Q166 VanDerWaalsContact CZ-CG 3.49Å; F131-F173 HydrophobicContact CB-CB 3.95Å; F131-F173 HydrophobicContact CB-CD1 4.42Å; F131-F173 HydrophobicContact CB-CD2 3.6Å; F131-F173 HydrophobicContact CB-CE2 4.23Å; F131-F173 HydrophobicContact CB-CG 3.72Å; F131-F173 HydrophobicContact CD2-CD2 4.17Å; F131-F173 HydrophobicContact CD2-CE2 4.28Å; F131-F173 HydrophobicContact CG-CD2 4.37Å
132H98.6Very high98.4Very high0 Ų024.9 Ų24.90%012%0.118CC..Hα-helixtrans-67.6-42.5-172.9-164.3-165.2000111.4Y128 Y129 W130 M134 A135 H136 H145 H224 Y236Y128-H132 HydrophobicContact CD1-CB 4.26Å; Y128-H132 HydrophobicContact CE1-CB 3.8Å; Y128-H132 AromaticContact CE1-CG 3.85Å; Y128-H132 AromaticContact CE1-ND1 3.46Å; Y128-H132 WeakPolarHBondContact CE1-ND1 3.32Å; Y128-H132 AromaticContact CZ-CG 3.91Å; Y128-H132 AromaticContact CZ-ND1 3.74Å; Y128-H132 VanDerWaalsContact O-CB 3.25Å; Y128-H132 WeakPolarHBondContact O-CB 3.42Å; Y128-H132 PolarHBondContact O-N 2.98Å; Y128-H132 PolarHBondContact OH-CE1 3.11Å; Y128-H132 PolarHBondContact OH-ND1 3.42Å; Y129-H132 PolarHBondContact O-N 2.82Å; W130-H132 VanDerWaalsContact C-N 3.32Å; H132-M134 PolarHBondContact O-N 3.17Å; H132-A135 WeakPolarHBondContact O-CA 3.49Å; H132-A135 WeakPolarHBondContact O-CB 3.14Å; H132-A135 PolarHBondContact O-N 2.75Å; H132-A135 VanDerWaalsContact O-N 3.1Å; H132-H136 AromaticContact CD2-CD2 3.83Å; H132-H136 AromaticContact CD2-NE2 3.92Å; H132-H136 AromaticContact NE2-NE2 3.64Å; H132-H136 PolarHBondContact O-CD2 3.28Å; H132-H136 PolarHBondContact O-N 2.59Å; H132-H145 AromaticContact CD2-CE1 3.63Å; H132-H145 AromaticContact CD2-NE2 3.39Å; H132-H145 PolarHBondContact CD2-NE2 3.28Å; H132-H145 AromaticContact NE2-CE1 3.37Å; H132-H145 PolarHBondContact NE2-CE1 3.44Å; H132-H145 AromaticContact NE2-NE2 3.02Å; H132-H145 PolarHBondContact NE2-NE2 3.47Å; H132-H224 AromaticContact CE1-CD2 3.77Å; H132-H224 AromaticContact CE1-CE1 3.37Å; H132-H224 PolarHBondContact CE1-CE1 3.32Å; H132-H224 AromaticContact CE1-NE2 3Å; H132-H224 PolarHBondContact CE1-NE2 3.24Å; H132-H224 AromaticContact NE2-CE1 3.51Å; H132-H224 AromaticContact NE2-NE2 3.04Å; H132-H224 PolarHBondContact NE2-NE2 3.36Å; H132-Y236 PolarHBondContact ND1-O 3.35Å
133R98.6Very high98.4Very high47 Ų4721.1 Ų21.118%0.17710%0.099CC..Hα-helixtrans-56-49170.8-178174.7-179.2155.38.1112.2Y129 A135 H136 E137 Y236Y129-R133 VanDerWaalsContact O-CB 3.28Å; Y129-R133 WeakPolarHBondContact O-CB 3.26Å; Y129-R133 PolarHBondContact O-N 3.36Å; Y129-R133 PolarHBondContact OH-NH1 3.45Å; R133-A135 VanDerWaalsContact C-N 3.26Å; R133-A135 PolarHBondContact O-N 3.37Å; R133-H136 PolarHBondContact O-N 3.43Å; R133-H136 VanDerWaalsContact O-N 3.15Å; R133-E137 HydrophobicContact CG-CG 4.34Å; R133-E137 WeakPolarHBondContact CG-OE1 3.46Å; R133-E137 IonicContact CZ-OE1 3.09Å; R133-E137 IonicContact NE-OE1 3.64Å; R133-E137 PolarHBondContact NE-OE1 3.31Å; R133-E137 IonicContact NE-OE2 3.26Å; R133-E137 IonicContact NH2-OE1 3.72Å; R133-E137 PolarHBondContact NH2-OE1 3.17Å; R133-E137 WeakPolarHBondContact O-CB 3.49Å; R133-E137 PolarHBondContact O-N 3.39Å; R133-Y236 HydrophobicContact CB-CD1 4.3Å; R133-Y236 HydrophobicContact CB-CD2 3.76Å; R133-Y236 HydrophobicContact CB-CE2 4.06Å; R133-Y236 HydrophobicContact CB-CG 3.85Å; R133-Y236 HydrophobicContact CG-CD2 3.8Å; R133-Y236 HydrophobicContact CG-CE2 3.63Å; R133-Y236 HydrophobicContact CG-CG 4.35Å
134M98.4Very high98.3Very high32 Ų3220.6 Ų20.616%0.1589%0.093CC..Hα-helixtrans-67.4-29.7177.7-66.9-59.9122.500112.3W130 F131 H132 H136 E137 V138 M141 F173W130-M134 HydrophobicContact CE3-CE 4.04Å; W130-M134 HydrophobicContact CZ3-CE 4.03Å; W130-M134 WeakPolarHBondContact O-CB 3.24Å; W130-M134 VanDerWaalsContact O-CG 3.29Å; W130-M134 WeakPolarHBondContact O-CG 3.5Å; W130-M134 PolarHBondContact O-N 2.81Å; F131-M134 CarbonylContact O-C 2.95Å; F131-M134 PolarHBondContact O-N 3.23Å; H132-M134 PolarHBondContact O-N 3.17Å; M134-H136 PolarHBondContact O-N 3.11Å; M134-E137 PolarHBondContact O-N 3.31Å; M134-V138 HydrophobicContact CB-CG2 4.24Å; M134-V138 VanDerWaalsContact O-CB 3.24Å; M134-V138 WeakPolarHBondContact O-CB 3.38Å; M134-V138 PolarHBondContact O-N 3.28Å; M134-V138 HydrophobicContact SD-CG2 3.87Å; M134-M141 HydrophobicContact CB-CE 3.67Å; M134-M141 HydrophobicContact CB-SD 3.68Å; M134-F173 HydrophobicContact CB-CE1 4.15Å; M134-F173 HydrophobicContact CB-CZ 3.68Å; M134-F173 HydrophobicContact CG-CE1 3.67Å; M134-F173 HydrophobicContact CG-CZ 3.66Å
135A98.4Very high98.3Very high1 Ų120.7 Ų20.71%0.0089%0.094CC..Hα-helixtrans-65.3-19.1174.200000113.2F131 H132 R133 M141 W142 H145F131-A135 HydrophobicContact CE2-CB 4.03Å; F131-A135 HydrophobicContact CZ-CB 4.15Å; F131-A135 WeakPolarHBondContact O-CB 3.22Å; F131-A135 PolarHBondContact O-N 3.05Å; H132-A135 WeakPolarHBondContact O-CA 3.49Å; H132-A135 WeakPolarHBondContact O-CB 3.14Å; H132-A135 PolarHBondContact O-N 2.75Å; H132-A135 VanDerWaalsContact O-N 3.1Å; R133-A135 VanDerWaalsContact C-N 3.26Å; R133-A135 PolarHBondContact O-N 3.37Å; A135-M141 HydrophobicContact CB-CE 4.39Å; A135-W142 WeakPolarHBondContact O-CA 3.41Å; A135-W142 WeakPolarHBondContact O-CB 3.27Å; A135-W142 PolarHBondContact O-N 3.39Å; A135-W142 VanDerWaalsContact O-N 3.12Å; A135-H145 HydrophobicContact CB-CB 3.9Å
136H98.3Very high98.2Very high14 Ų1420.7 Ų20.77%0.0659%0.094CC..Hα-helixtrans-98.8-40.5171.4-78.5-102.1000112.5H132 R133 M134 W142 H145 H149 H224 Y236 P302H132-H136 AromaticContact CD2-CD2 3.83Å; H132-H136 AromaticContact CD2-NE2 3.92Å; H132-H136 AromaticContact NE2-NE2 3.64Å; H132-H136 PolarHBondContact O-CD2 3.28Å; H132-H136 PolarHBondContact O-N 2.59Å; R133-H136 PolarHBondContact O-N 3.43Å; R133-H136 VanDerWaalsContact O-N 3.15Å; M134-H136 PolarHBondContact O-N 3.11Å; H136-W142 AromaticContact CE1-CZ3 3.56Å; H136-W142 AromaticContact ND1-CZ3 3.57Å; H136-H145 AromaticContact CD2-CD2 3.62Å; H136-H145 AromaticContact CD2-NE2 3.89Å; H136-H145 AromaticContact NE2-CD2 3.24Å; H136-H145 PolarHBondContact NE2-CD2 3.33Å; H136-H145 AromaticContact NE2-NE2 3.24Å; H136-H145 PolarHBondContact NE2-NE2 3.45Å; H136-H149 AromaticContact CE1-CD2 3.75Å; H136-H149 AromaticContact CE1-CE1 3.36Å; H136-H149 PolarHBondContact CE1-CE1 2.87Å; H136-H149 AromaticContact CE1-ND1 3.98Å; H136-H149 AromaticContact CE1-NE2 3.18Å; H136-H149 PolarHBondContact CE1-NE2 3.07Å; H136-H149 AromaticContact NE2-CD2 3.91Å; H136-H149 AromaticContact NE2-CE1 3.75Å; H136-H149 AromaticContact NE2-NE2 3.18Å; H136-H149 PolarHBondContact NE2-NE2 3.47Å; H136-H149 VanDerWaalsContact NE2-NE2 3.18Å; H136-H224 AromaticContact CD2-CE1 3.78Å; H136-H224 AromaticContact CE1-CE1 3.46Å; H136-H224 PolarHBondContact CE1-CE1 3.33Å; H136-H224 VanDerWaalsContact CE1-CE1 3.46Å; H136-H224 AromaticContact CE1-NE2 3.7Å; H136-H224 AromaticContact NE2-CE1 3.09Å; H136-H224 PolarHBondContact NE2-CE1 2.83Å; H136-H224 AromaticContact NE2-NE2 3.23Å; H136-H224 PolarHBondContact NE2-NE2 3.36Å; H136-Y236 HydrophobicContact CB-CE1 3.62Å; H136-Y236 AromaticContact CD2-CE1 3.97Å; H136-Y236 AromaticContact CG-CE1 3.75Å; H136-P302 WeakPolarHBondContact O-CD 3.37Å
137E98.1Very high98.2Very high15 Ų1517 Ų177%0.078%0.078CC..Hα-helixtrans-85.8-10.5-172.9-69.4-169-157.400115.1R133 M134 K300 G301 R310 L311R133-E137 HydrophobicContact CG-CG 4.34Å; R133-E137 WeakPolarHBondContact CG-OE1 3.46Å; R133-E137 IonicContact CZ-OE1 3.09Å; R133-E137 IonicContact NE-OE1 3.64Å; R133-E137 PolarHBondContact NE-OE1 3.31Å; R133-E137 IonicContact NE-OE2 3.26Å; R133-E137 IonicContact NH2-OE1 3.72Å; R133-E137 PolarHBondContact NH2-OE1 3.17Å; R133-E137 WeakPolarHBondContact O-CB 3.49Å; R133-E137 PolarHBondContact O-N 3.39Å; M134-E137 PolarHBondContact O-N 3.31Å; E137-K300 CarbonylContact O-C 3.59Å; E137-G301 VanDerWaalsContact O-CA 3.27Å; E137-G301 WeakPolarHBondContact O-CA 3.47Å; E137-G301 PolarHBondContact O-N 3.34Å; E137-R310 IonicContact OE2-NH2 2.66Å; E137-L311 HydrophobicContact CB-CD2 3.74Å; E137-L311 HydrophobicContact CG-CD1 4.16Å; E137-L311 HydrophobicContact CG-CD2 3.79Å
138V98.2Very high98.2Very high15 Ų1517 Ų179%0.0918%0.077CC..SBendtrans-119.1115.7-179.8-177.60000109.7M134 I140 M141 W142M134-V138 HydrophobicContact CB-CG2 4.24Å; M134-V138 VanDerWaalsContact O-CB 3.24Å; M134-V138 WeakPolarHBondContact O-CB 3.38Å; M134-V138 PolarHBondContact O-N 3.28Å; M134-V138 HydrophobicContact SD-CG2 3.87Å; V138-I140 VanDerWaalsContact C-N 3.33Å; V138-I140 HydrophobicContact CG1-CG2 3.97Å; V138-I140 PolarHBondContact O-N 3.27Å; V138-M141 HydrophobicContact CB-CB 4.3Å; V138-M141 HydrophobicContact CB-CG 4.31Å; V138-M141 HydrophobicContact CB-SD 4.31Å; V138-M141 HydrophobicContact CG1-CG 4.29Å; V138-M141 CarbonylContact O-C 3.52Å; V138-M141 WeakPolarHBondContact O-CA 3.46Å; V138-M141 PolarHBondContact O-N 3.23Å; V138-W142 PolarHBondContact O-N 2.94Å
139N98.1Very high98.2Very high12 Ų1216.9 Ų16.96%0.0648%0.076CC..Hα-helixtrans-55.5-42.5-168.3-158.59.9000113.6M141 W142 A143 H277 I281 V297 K300N139-M141 VanDerWaalsContact C-N 3.34Å; N139-M141 PolarHBondContact O-N 3.4Å; N139-W142 WeakPolarHBondContact O-CB 3.24Å; N139-W142 PolarHBondContact O-N 3.22Å; N139-A143 PolarHBondContact O-N 3.44Å; N139-H277 PolarHBondContact OD1-NE2 2.92Å; N139-I281 HydrophobicContact CB-CD1 4.34Å; N139-I281 WeakPolarHBondContact O-CD1 3.46Å; N139-V297 VanDerWaalsContact CB-O 3.31Å; N139-V297 WeakPolarHBondContact CB-O 3.23Å; N139-V297 PolarHBondContact ND2-O 3.11Å; N139-K300 WeakPolarHBondContact CB-O 3.33Å; N139-K300 PolarHBondContact N-O 3.24Å
140I97.9Very high98.2Very high63 Ų6317.5 Ų17.532%0.3238%0.081SC..Hα-helixtrans-67.6-32.8178.1-16860.3000113.1V138 A143 L278 I281 I298V138-I140 VanDerWaalsContact C-N 3.33Å; V138-I140 HydrophobicContact CG1-CG2 3.97Å; V138-I140 PolarHBondContact O-N 3.27Å; I140-A143 WeakPolarHBondContact O-CB 3.27Å; I140-A143 PolarHBondContact O-N 3.34Å; I140-L278 HydrophobicContact CD1-CD2 3.47Å; I140-L278 VanDerWaalsContact CD1-CD2 3.47Å; I140-I281 HydrophobicContact CD1-CD1 4.27Å; I140-I298 HydrophobicContact CB-CG2 3.88Å; I140-I298 HydrophobicContact CG1-CG2 4.39Å; I140-I298 HydrophobicContact CG2-CG2 4Å; I140-I298 PolarHBondContact N-O 3.15Å
141M98.1Very high98.1Very high20 Ų2014 Ų1410%0.0997%0.068CC..Hα-helixtrans-76.4-35.9174.2-64.3-179.15800111F131 M134 A135 V138 N139 A143 G144 H145 T169 F173F131-M141 HydrophobicContact CD2-CE 3.88Å; F131-M141 HydrophobicContact CE2-CE 4.15Å; M134-M141 HydrophobicContact CB-CE 3.67Å; M134-M141 HydrophobicContact CB-SD 3.68Å; A135-M141 HydrophobicContact CB-CE 4.39Å; V138-M141 HydrophobicContact CB-CB 4.3Å; V138-M141 HydrophobicContact CB-CG 4.31Å; V138-M141 HydrophobicContact CB-SD 4.31Å; V138-M141 HydrophobicContact CG1-CG 4.29Å; V138-M141 CarbonylContact O-C 3.52Å; V138-M141 WeakPolarHBondContact O-CA 3.46Å; V138-M141 PolarHBondContact O-N 3.23Å; N139-M141 VanDerWaalsContact C-N 3.34Å; N139-M141 PolarHBondContact O-N 3.4Å; M141-A143 PolarHBondContact O-N 3.1Å; M141-G144 CarbonylContact O-C 3.59Å; M141-G144 WeakPolarHBondContact O-CA 3.45Å; M141-G144 PolarHBondContact O-N 2.79Å; M141-H145 PolarHBondContact O-N 3.43Å; M141-T169 HydrophobicContact CG-CG2 4.3Å; M141-F173 HydrophobicContact CE-CE2 3.54Å; M141-F173 HydrophobicContact CE-CZ 3.84Å; M141-F173 HydrophobicContact SD-CE2 4.3Å; M141-F173 HydrophobicContact SD-CZ 4.24Å
142W98.3Very high98.1Very high36 Ų3615 Ų1514%0.1367%0.073CC..Hα-helixtrans-58.2-35.1170.2176.3-116000112.3A135 H136 V138 N139 G144 H145 Q146 H149 L261 H277 P302A135-W142 WeakPolarHBondContact O-CA 3.41Å; A135-W142 WeakPolarHBondContact O-CB 3.27Å; A135-W142 PolarHBondContact O-N 3.39Å; A135-W142 VanDerWaalsContact O-N 3.12Å; H136-W142 AromaticContact CE1-CZ3 3.56Å; H136-W142 AromaticContact ND1-CZ3 3.57Å; V138-W142 PolarHBondContact O-N 2.94Å; N139-W142 WeakPolarHBondContact O-CB 3.24Å; N139-W142 PolarHBondContact O-N 3.22Å; W142-G144 PolarHBondContact O-N 2.81Å; W142-G144 VanDerWaalsContact O-N 3.16Å; W142-H145 HydrophobicContact CE3-CB 4.37Å; W142-H145 PolarHBondContact O-N 2.96Å; W142-Q146 HydrophobicContact CD2-CB 3.81Å; W142-Q146 VanDerWaalsContact CE2-CB 3.41Å; W142-Q146 HydrophobicContact CE3-CB 4.24Å; W142-Q146 HydrophobicContact CG-CB 4.37Å; W142-Q146 HydrophobicContact CH2-CB 4.05Å; W142-Q146 HydrophobicContact CZ2-CB 3.56Å; W142-Q146 HydrophobicContact CZ3-CB 4.35Å; W142-Q146 VanDerWaalsContact O-CB 3.3Å; W142-Q146 WeakPolarHBondContact O-CB 3.36Å; W142-Q146 WeakPolarHBondContact O-CG 3.37Å; W142-Q146 PolarHBondContact O-N 3.06Å; W142-H149 HydrophobicContact CH2-CB 3.67Å; W142-H149 AromaticContact CH2-CG 3.8Å; W142-H149 HydrophobicContact CZ3-CB 4.3Å; W142-H149 AromaticContact CZ3-CD2 3.81Å; W142-L261 HydrophobicContact CH2-CD2 4.29Å; W142-L261 HydrophobicContact CZ2-CD2 3.87Å; W142-H277 AromaticContact CD1-CD2 3.71Å; W142-H277 AromaticContact CD1-CE1 3.72Å; W142-H277 AromaticContact CD1-NE2 3.36Å; W142-H277 AromaticContact NE1-CE1 3.94Å; W142-P302 HydrophobicContact CG-CB 4.48Å; W142-P302 HydrophobicContact CG-CG 4.3Å
143A97.8Very high98Very high1 Ų116.2 Ų16.21%0.0088%0.079CC..Hα-helixtrans-57-32.4172.500000113.2N139 I140 M141 H277 L278 I281N139-A143 PolarHBondContact O-N 3.44Å; I140-A143 WeakPolarHBondContact O-CB 3.27Å; I140-A143 PolarHBondContact O-N 3.34Å; M141-A143 PolarHBondContact O-N 3.1Å; A143-H277 HydrophobicContact CB-CB 4.41Å; A143-L278 HydrophobicContact CB-CD2 3.56Å; A143-L278 HydrophobicContact CB-CG 3.81Å; A143-I281 HydrophobicContact CB-CD1 3.88Å
144G96.8Very high97.9Very high2 Ų214.1 Ų14.12%0.0217%0.071CC..THydrogen-bonded Turntrans-91.13.2175.700000114.9M141 W142 S163 Q166M141-G144 CarbonylContact O-C 3.59Å; M141-G144 WeakPolarHBondContact O-CA 3.45Å; M141-G144 PolarHBondContact O-N 2.79Å; W142-G144 PolarHBondContact O-N 2.81Å; W142-G144 VanDerWaalsContact O-N 3.16Å; G144-S163 WeakPolarHBondContact O-CB 3.48Å; G144-S163 PolarHBondContact O-OG 3.24Å; G144-Q166 WeakPolarHBondContact O-CB 3.46Å
145H98Very high97.8Very high2 Ų212.9 Ų12.91%0.0097%0.065CC..THydrogen-bonded Turntrans-127.9-27.6-178.2-167.863.4000113.4H132 A135 H136 M141 W142 T147 H148 H149 Q166H132-H145 AromaticContact CD2-CE1 3.63Å; H132-H145 AromaticContact CD2-NE2 3.39Å; H132-H145 PolarHBondContact CD2-NE2 3.28Å; H132-H145 AromaticContact NE2-CE1 3.37Å; H132-H145 PolarHBondContact NE2-CE1 3.44Å; H132-H145 AromaticContact NE2-NE2 3.02Å; H132-H145 PolarHBondContact NE2-NE2 3.47Å; A135-H145 HydrophobicContact CB-CB 3.9Å; H136-H145 AromaticContact CD2-CD2 3.62Å; H136-H145 AromaticContact CD2-NE2 3.89Å; H136-H145 AromaticContact NE2-CD2 3.24Å; H136-H145 PolarHBondContact NE2-CD2 3.33Å; H136-H145 AromaticContact NE2-NE2 3.24Å; H136-H145 PolarHBondContact NE2-NE2 3.45Å; M141-H145 PolarHBondContact O-N 3.43Å; W142-H145 HydrophobicContact CE3-CB 4.37Å; W142-H145 PolarHBondContact O-N 2.96Å; H145-T147 PolarHBondContact O-N 2.92Å; H145-H148 AromaticContact CE1-CD2 3.73Å; H145-H148 WeakPolarHBondContact O-CB 3.49Å; H145-H148 PolarHBondContact O-N 3.47Å; H145-H149 AromaticContact CD2-CD2 3.66Å; H145-H149 AromaticContact CD2-NE2 3.77Å; H145-H149 AromaticContact NE2-CD2 3.52Å; H145-H149 AromaticContact NE2-NE2 3.26Å; H145-H149 PolarHBondContact NE2-NE2 3.44Å; H145-Q166 PolarHBondContact ND1-OE1 3.17Å
146Q98Very high97.8Very high0 Ų013.4 Ų13.40%07%0.068CC..Hα-helixtrans-53-30.1179.26775.420.100113.5W142 H148 H149 S150 L261 V273 H276 H277W142-Q146 HydrophobicContact CD2-CB 3.81Å; W142-Q146 VanDerWaalsContact CE2-CB 3.41Å; W142-Q146 HydrophobicContact CE3-CB 4.24Å; W142-Q146 HydrophobicContact CG-CB 4.37Å; W142-Q146 HydrophobicContact CH2-CB 4.05Å; W142-Q146 HydrophobicContact CZ2-CB 3.56Å; W142-Q146 HydrophobicContact CZ3-CB 4.35Å; W142-Q146 VanDerWaalsContact O-CB 3.3Å; W142-Q146 WeakPolarHBondContact O-CB 3.36Å; W142-Q146 WeakPolarHBondContact O-CG 3.37Å; W142-Q146 PolarHBondContact O-N 3.06Å; Q146-H148 PolarHBondContact O-N 2.84Å; Q146-H149 CarbonylContact O-C 3.43Å; Q146-H149 WeakPolarHBondContact O-CA 3.48Å; Q146-H149 PolarHBondContact O-N 2.85Å; Q146-S150 WeakPolarHBondContact O-CB 3.36Å; Q146-S150 PolarHBondContact O-N 3.24Å; Q146-L261 HydrophobicContact CB-CD2 4.19Å; Q146-V273 PolarHBondContact NE2-O 2.91Å; Q146-H276 PolarHBondContact NE2-CE1 3.31Å; Q146-H276 PolarHBondContact OE1-CE1 3.27Å; Q146-H277 HydrophobicContact CG-CB 3.86Å
147T98.1Very high97.7Very high0 Ų012.9 Ų12.90%07%0.066CC..Hα-helixtrans-55.4-40.4176.5-61.10000110.5A78 H145 H149 S150 R161 V273A78-T147 HydrophobicContact CB-CG2 4.08Å; H145-T147 PolarHBondContact O-N 2.92Å; T147-H149 VanDerWaalsContact C-N 3.34Å; T147-H149 PolarHBondContact O-N 3.3Å; T147-S150 WeakPolarHBondContact O-CB 3.24Å; T147-S150 PolarHBondContact O-N 3.41Å; T147-S150 PolarHBondContact O-OG 2.63Å; T147-R161 HydrophobicContact CG2-CG 4.01Å; T147-R161 WeakPolarHBondContact O-CD 3.45Å; T147-R161 WeakPolarHBondContact O-CG 3.21Å; T147-V273 HydrophobicContact CG2-CG1 3.71Å; T147-V273 PolarHBondContact OG1-O 2.93Å
148H98.2Very high97.7Very high4 Ų412.1 Ų12.12%0.0196%0.062CC..Hα-helixtrans-62.2-40.4176.9-171.647.7000112.8H145 Q146 S150 T158 R161 H201 H225H145-H148 AromaticContact CE1-CD2 3.73Å; H145-H148 WeakPolarHBondContact O-CB 3.49Å; H145-H148 PolarHBondContact O-N 3.47Å; Q146-H148 PolarHBondContact O-N 2.84Å; H148-S150 VanDerWaalsContact C-N 3.31Å; H148-S150 PolarHBondContact O-N 2.99Å; H148-T158 PolarHBondContact CE1-O 3.19Å; H148-T158 PolarHBondContact ND1-O 3.23Å; H148-R161 WeakPolarHBondContact CA-O 3.4Å; H148-R161 PolarHBondContact N-O 3.46Å; H148-H201 AromaticContact CE1-CE1 3.82Å; H148-H201 AromaticContact CE1-NE2 3.12Å; H148-H201 PolarHBondContact CE1-NE2 3.01Å; H148-H201 AromaticContact NE2-CE1 3.86Å; H148-H201 AromaticContact NE2-NE2 3.21Å; H148-H201 PolarHBondContact NE2-NE2 3.3Å; H148-H225 AromaticContact CD2-CE1 3.42Å; H148-H225 PolarHBondContact CD2-CE1 2.96Å; H148-H225 VanDerWaalsContact CD2-CE1 3.42Å; H148-H225 AromaticContact CD2-NE2 3.77Å; H148-H225 AromaticContact CE1-CE1 3.7Å; H148-H225 AromaticContact CG-CE1 3.97Å; H148-H225 AromaticContact NE2-CE1 3.27Å; H148-H225 PolarHBondContact NE2-CE1 3.4Å; H148-H225 VanDerWaalsContact NE2-CE1 3.27Å; H148-H225 AromaticContact NE2-NE2 3.32Å; H148-H225 PolarHBondContact NE2-NE2 3.08Å
149H98.4Very high97.7Very high9 Ų912 Ų124%0.0426%0.062CC..Hα-helixtrans-82-4.7177.2-72.9-94.2000114.1H136 W142 H145 Q146 T147 S151 H224 H225 G260 L261H136-H149 AromaticContact CE1-CD2 3.75Å; H136-H149 AromaticContact CE1-CE1 3.36Å; H136-H149 PolarHBondContact CE1-CE1 2.87Å; H136-H149 AromaticContact CE1-ND1 3.98Å; H136-H149 AromaticContact CE1-NE2 3.18Å; H136-H149 PolarHBondContact CE1-NE2 3.07Å; H136-H149 AromaticContact NE2-CD2 3.91Å; H136-H149 AromaticContact NE2-CE1 3.75Å; H136-H149 AromaticContact NE2-NE2 3.18Å; H136-H149 PolarHBondContact NE2-NE2 3.47Å; H136-H149 VanDerWaalsContact NE2-NE2 3.18Å; W142-H149 HydrophobicContact CH2-CB 3.67Å; W142-H149 AromaticContact CH2-CG 3.8Å; W142-H149 HydrophobicContact CZ3-CB 4.3Å; W142-H149 AromaticContact CZ3-CD2 3.81Å; H145-H149 AromaticContact CD2-CD2 3.66Å; H145-H149 AromaticContact CD2-NE2 3.77Å; H145-H149 AromaticContact NE2-CD2 3.52Å; H145-H149 AromaticContact NE2-NE2 3.26Å; H145-H149 PolarHBondContact NE2-NE2 3.44Å; Q146-H149 CarbonylContact O-C 3.43Å; Q146-H149 WeakPolarHBondContact O-CA 3.48Å; Q146-H149 PolarHBondContact O-N 2.85Å; T147-H149 VanDerWaalsContact C-N 3.34Å; T147-H149 PolarHBondContact O-N 3.3Å; H149-S151 PolarHBondContact O-N 3.06Å; H149-H224 AromaticContact CE1-CD2 3.48Å; H149-H224 PolarHBondContact CE1-CD2 3.32Å; H149-H224 VanDerWaalsContact CE1-CD2 3.48Å; H149-H224 AromaticContact CE1-NE2 3.25Å; H149-H224 PolarHBondContact CE1-NE2 3.43Å; H149-H224 VanDerWaalsContact CE1-NE2 3.25Å; H149-H224 PolarHBondContact CE1-O 3.12Å; H149-H224 AromaticContact NE2-CD2 3.84Å; H149-H224 AromaticContact NE2-NE2 3.24Å; H149-H224 PolarHBondContact NE2-NE2 2.92Å; H149-H225 AromaticContact CE1-CE1 3.98Å; H149-H225 AromaticContact CE1-CG 3.86Å; H149-H225 AromaticContact CE1-ND1 3.79Å; H149-H225 AromaticContact ND1-CG 3.99Å; H149-H225 AromaticContact ND1-ND1 3.72Å; H149-G260 CarbonylContact O-C 3.3Å; H149-G260 VanDerWaalsContact O-C 3.3Å; H149-G260 VanDerWaalsContact O-CA 3.28Å; H149-G260 WeakPolarHBondContact O-CA 3.35Å; H149-L261 HydrophobicContact CB-CD2 4.02Å
150S98.2Very high97.6Very high14 Ų1413.5 Ų13.510%0.0987%0.07CC..THydrogen-bonded Turntrans-77.4-7.4-174.198.50000113.9Q146 T147 H148 R161Q146-S150 WeakPolarHBondContact O-CB 3.36Å; Q146-S150 PolarHBondContact O-N 3.24Å; T147-S150 WeakPolarHBondContact O-CB 3.24Å; T147-S150 PolarHBondContact O-N 3.41Å; T147-S150 PolarHBondContact O-OG 2.63Å; H148-S150 VanDerWaalsContact C-N 3.31Å; H148-S150 PolarHBondContact O-N 2.99Å; S150-R161 PolarHBondContact OG-NH1 2.85Å
151S97.9Very high97.6Very high3 Ų310.7 Ų10.72%0.0216%0.056CC..  trans-71.9127177.5-171.50000110.1D71 H149 D153 T158 G260D71-S151 PolarHBondContact OD2-OG 3.05Å; H149-S151 PolarHBondContact O-N 3.06Å; S151-D153 WeakPolarHBondContact CB-O 3.43Å; S151-D153 PolarHBondContact OG-O 3.16Å; S151-T158 PolarHBondContact OG-OG1 2.81Å; S151-G260 VanDerWaalsContact O-CA 3.27Å; S151-G260 WeakPolarHBondContact O-CA 3.08Å; S151-G260 PolarHBondContact O-N 2.93Å
152E97.7Very high97.5Very high26 Ų2611.7 Ų11.712%0.1216%0.06CC..SBendtrans-91.3-4.9173.2-66.7-175.3138.200112.7R227 P326 F327E152-R227 IonicContact OE1-NH1 3.05Å; E152-P326 HydrophobicContact CB-CB 3.89Å; E152-P326 HydrophobicContact CB-CG 4.45Å; E152-P326 VanDerWaalsContact OE2-CA 3.27Å; E152-P326 WeakPolarHBondContact OE2-CA 3.39Å; E152-F327 PolarHBondContact OE2-N 3.09Å
153D96.4Very high97.4Very high24 Ų2410.2 Ų10.213%0.1286%0.055CC..SBendtrans-103.5156.6164.1-62.2-65.6000110R68 D71 S151 T158R68-D153 IonicContact CZ-OD2 3.8Å; R68-D153 VanDerWaalsContact CZ-OD2 3.25Å; R68-D153 PolarHBondContact N-OD2 2.76Å; R68-D153 VanDerWaalsContact N-OD2 3.15Å; R68-D153 IonicContact NE-OD1 3.21Å; R68-D153 PolarHBondContact NE-OD1 3.18Å; R68-D153 IonicContact NE-OD2 2.91Å; R68-D153 PolarHBondContact NE-OD2 3.25Å; R68-D153 IonicContact NH2-OD2 3.18Å; R68-D153 PolarHBondContact NH2-OD2 3.43Å; D71-D153 VanDerWaalsContact CB-OD2 3.24Å; D71-D153 WeakPolarHBondContact CB-OD2 3.48Å; S151-D153 WeakPolarHBondContact CB-O 3.43Å; S151-D153 PolarHBondContact OG-O 3.16Å; D153-T158 PolarHBondContact O-OG1 3.04Å
154Y96.9Very high97.3Very high3 Ų311.4 Ų11.41%0.0126%0.062CC..  trans-129.2104.5176.3-163.3-106.8000111.8T158 H201 E203 H221 R222 H225 Y259Y154-T158 HydrophobicContact CD2-CG2 4.22Å; Y154-T158 HydrophobicContact CE2-CG2 4.45Å; Y154-H201 AromaticContact CE2-CD2 3.77Å; Y154-H201 AromaticContact CZ-CD2 4Å; Y154-E203 HydrophobicContact CD1-CG 4.18Å; Y154-H221 WeakPolarHBondContact OH-CB 3.23Å; Y154-H221 PolarHBondContact OH-CD2 3.25Å; Y154-H221 VanDerWaalsContact OH-CG 3.29Å; Y154-H221 PolarHBondContact OH-O 3.45Å; Y154-H221 VanDerWaalsContact OH-O 3.13Å; Y154-R222 HydrophobicContact CD1-CG 3.57Å; Y154-R222 HydrophobicContact CE1-CB 4.34Å; Y154-R222 HydrophobicContact CE1-CG 3.39Å; Y154-H225 HydrophobicContact CD2-CB 3.92Å; Y154-H225 HydrophobicContact CE2-CB 3.52Å; Y154-H225 AromaticContact CE2-CD2 3.46Å; Y154-H225 VanDerWaalsContact CE2-CD2 3.46Å; Y154-H225 WeakPolarHBondContact CE2-CD2 3.33Å; Y154-H225 AromaticContact CE2-CG 3.3Å; Y154-H225 AromaticContact CE2-ND1 3.75Å; Y154-H225 AromaticContact CE2-NE2 3.95Å; Y154-H225 AromaticContact CZ-CD2 3.93Å; Y154-Y259 HydrophobicContact CD1-CE1 4.07Å; Y154-Y259 HydrophobicContact CD2-CD1 4.03Å; Y154-Y259 AromaticContact CD2-CE1 3.97Å; Y154-Y259 HydrophobicContact CD2-CE1 3.97Å; Y154-Y259 HydrophobicContact CG-CD1 4.02Å; Y154-Y259 AromaticContact CG-CE1 3.6Å; Y154-Y259 HydrophobicContact CG-CE1 3.6Å; Y154-Y259 HydrophobicContact CG-CE2 4.3Å; Y154-Y259 AromaticContact CG-CZ 3.76Å
155N97.1Very high97.2Very high6 Ų613.3 Ų13.33%0.0327%0.072CC..SBendtrans-159.6-179.3-175.258.960.9000110.1E54 P66 S157 T158 H201E54-N155 WeakPolarHBondContact OE2-CB 3.36Å; P66-N155 HydrophobicContact CB-CB 3.98Å; P66-N155 HydrophobicContact CG-CB 4.39Å; P66-N155 PolarHBondContact O-ND2 2.91Å; N155-S157 PolarHBondContact O-N 3.12Å; N155-S157 VanDerWaalsContact O-N 3.09Å; N155-S157 VanDerWaalsContact OD1-CB 3.29Å; N155-S157 WeakPolarHBondContact OD1-CB 3.47Å; N155-S157 PolarHBondContact OD1-N 2.93Å; N155-S157 PolarHBondContact OD1-OG 2.88Å; N155-T158 PolarHBondContact N-OG1 3.23Å; N155-T158 WeakPolarHBondContact O-CB 3.36Å; N155-T158 PolarHBondContact O-N 3.15Å; N155-T158 PolarHBondContact O-OG1 3.44Å; N155-H201 CarbonylContact C-O 3.51Å; N155-H201 WeakPolarHBondContact CA-O 3.46Å
156L97.4Very high97Very high12 Ų1214.7 Ų14.76%0.0638%0.079CC..THydrogen-bonded Turntrans-64.2-21-173.9-69.5175.1000113.6L50 M51 E54 T158 A159 F198 H201L50-L156 VanDerWaalsContact C-CD1 3.5Å; L50-L156 HydrophobicContact CB-CD1 3.83Å; L50-L156 WeakPolarHBondContact O-CD1 3.3Å; M51-L156 HydrophobicContact CG-CB 3.74Å; M51-L156 HydrophobicContact CG-CD1 4.48Å; E54-L156 HydrophobicContact CB-CD1 3.92Å; E54-L156 WeakPolarHBondContact OE2-CB 3.47Å; E54-L156 WeakPolarHBondContact OE2-CG 3.28Å; E54-L156 PolarHBondContact OE2-N 3.42Å; L156-T158 VanDerWaalsContact C-N 3.31Å; L156-A159 WeakPolarHBondContact O-CB 3.27Å; L156-A159 PolarHBondContact O-N 3.42Å; L156-F198 HydrophobicContact CB-CE2 4.36Å; L156-F198 HydrophobicContact CB-CZ 3.94Å; L156-F198 HydrophobicContact CD1-CE1 4.22Å; L156-F198 HydrophobicContact CD1-CZ 4.27Å; L156-F198 HydrophobicContact CD2-CD1 4.23Å; L156-F198 HydrophobicContact CD2-CE1 3.84Å; L156-F198 HydrophobicContact CD2-CZ 4.05Å; L156-F198 WeakPolarHBondContact CD2-O 3.3Å; L156-F198 HydrophobicContact CG-CE1 4.44Å; L156-F198 HydrophobicContact CG-CZ 4.33Å; L156-H201 WeakPolarHBondContact CA-O 3.49Å; L156-H201 WeakPolarHBondContact CD2-O 3.46Å; L156-H201 PolarHBondContact N-O 2.71Å
157S97Very high96.5Very high3 Ų317.7 Ų17.72%0.0219%0.094CC..THydrogen-bonded Turntrans-69-31.1172.579.20000112S75 N155 A159 L160S75-S157 VanDerWaalsContact CB-O 3.23Å; S75-S157 WeakPolarHBondContact CB-O 3.45Å; N155-S157 PolarHBondContact O-N 3.12Å; N155-S157 VanDerWaalsContact O-N 3.09Å; N155-S157 VanDerWaalsContact OD1-CB 3.29Å; N155-S157 WeakPolarHBondContact OD1-CB 3.47Å; N155-S157 PolarHBondContact OD1-N 2.93Å; N155-S157 PolarHBondContact OD1-OG 2.88Å; S157-A159 PolarHBondContact O-N 3.13Å; S157-L160 WeakPolarHBondContact O-CA 3.42Å; S157-L160 WeakPolarHBondContact O-CB 3.37Å; S157-L160 PolarHBondContact O-N 3.27Å
158T97.7Very high96.2Very high0 Ų022.3 Ų22.30%011%0.112CC..G310 helixtrans-59.2-33.9177.3-51.30000111.6H148 S151 D153 Y154 N155 L156 L160 R161H148-T158 PolarHBondContact CE1-O 3.19Å; H148-T158 PolarHBondContact ND1-O 3.23Å; S151-T158 PolarHBondContact OG-OG1 2.81Å; D153-T158 PolarHBondContact O-OG1 3.04Å; Y154-T158 HydrophobicContact CD2-CG2 4.22Å; Y154-T158 HydrophobicContact CE2-CG2 4.45Å; N155-T158 PolarHBondContact N-OG1 3.23Å; N155-T158 WeakPolarHBondContact O-CB 3.36Å; N155-T158 PolarHBondContact O-N 3.15Å; N155-T158 PolarHBondContact O-OG1 3.44Å; L156-T158 VanDerWaalsContact C-N 3.31Å; T158-L160 PolarHBondContact O-N 2.97Å; T158-L160 VanDerWaalsContact O-N 3.16Å; T158-R161 VanDerWaalsContact O-CB 3.3Å; T158-R161 WeakPolarHBondContact O-CB 3.4Å; T158-R161 PolarHBondContact O-N 3.48Å
159A97.2Very high95.9Very high11 Ų1123.9 Ų23.99%0.09112%0.122CC..G310 helixtrans-56.3-31.2173.300000112.6L156 S157 R161 Q162 F198 H201L156-A159 WeakPolarHBondContact O-CB 3.27Å; L156-A159 PolarHBondContact O-N 3.42Å; S157-A159 PolarHBondContact O-N 3.13Å; A159-R161 VanDerWaalsContact C-N 3.35Å; A159-Q162 PolarHBondContact O-NE2 3.31Å; A159-F198 HydrophobicContact CB-CD2 3.66Å; A159-F198 HydrophobicContact CB-CE2 4.17Å; A159-F198 HydrophobicContact CB-CG 4.48Å; A159-H201 HydrophobicContact CB-CB 4.03Å
160L96.3Very high95.7Very high45 Ų4523.9 Ų23.924%0.23612%0.123CC..G310 helixtrans-84.6-6.7179.7-55.8178.7000113.1M51 S75 I76 G79 S157 T158 Q162 F198M51-L160 HydrophobicContact CE-CD1 4.48Å; M51-L160 HydrophobicContact SD-CD1 3.92Å; S75-L160 CarbonylContact O-C 3.4Å; S75-L160 VanDerWaalsContact O-O 3.1Å; I76-L160 HydrophobicContact CG1-CD1 4.15Å; G79-L160 WeakPolarHBondContact CA-O 3.33Å; G79-L160 PolarHBondContact N-O 3.36Å; S157-L160 WeakPolarHBondContact O-CA 3.42Å; S157-L160 WeakPolarHBondContact O-CB 3.37Å; S157-L160 PolarHBondContact O-N 3.27Å; T158-L160 PolarHBondContact O-N 2.97Å; T158-L160 VanDerWaalsContact O-N 3.16Å; L160-Q162 PolarHBondContact O-N 3.2Å; L160-F198 HydrophobicContact CD2-CE2 4.47Å
161R97.8Very high95.5Very high4 Ų426.7 Ų26.72%0.01513%0.131CC..  trans-75.362.8-178.5-166.1178.7-81.5-118.27.7112D71 S75 A78 T147 H148 S150 T158 A159D71-R161 PolarHBondContact O-NH2 2.99Å; D71-R161 IonicContact OD1-CZ 3.5Å; D71-R161 IonicContact OD1-NH2 3.33Å; D71-R161 PolarHBondContact OD1-NH2 3.27Å; D71-R161 IonicContact OD2-CZ 3.96Å; D71-R161 IonicContact OD2-NH2 3.78Å; D71-R161 PolarHBondContact OD2-NH2 2.99Å; S75-R161 WeakPolarHBondContact O-CA 3.47Å; S75-R161 PolarHBondContact OG-NE 2.91Å; S75-R161 PolarHBondContact OG-NH2 2.96Å; A78-R161 HydrophobicContact CB-CG 4Å; T147-R161 HydrophobicContact CG2-CG 4.01Å; T147-R161 WeakPolarHBondContact O-CD 3.45Å; T147-R161 WeakPolarHBondContact O-CG 3.21Å; H148-R161 WeakPolarHBondContact CA-O 3.4Å; H148-R161 PolarHBondContact N-O 3.46Å; S150-R161 PolarHBondContact OG-NH1 2.85Å; T158-R161 VanDerWaalsContact O-CB 3.3Å; T158-R161 WeakPolarHBondContact O-CB 3.4Å; T158-R161 PolarHBondContact O-N 3.48Å; A159-R161 VanDerWaalsContact C-N 3.35Å
162Q96.6Very high95.5Very high40 Ų4031.2 Ų31.219%0.18715%0.154CC..  trans-90.3146.8-172.1-64.3-61.3-40.300112.1A78 A159 L160 Q274A78-Q162 CarbonylContact C-O 3.6Å; A159-Q162 PolarHBondContact O-NE2 3.31Å; L160-Q162 PolarHBondContact O-N 3.2Å; Q162-Q274 PolarHBondContact O-NE2 3.02Å
163S97.1Very high95.5Very high6 Ų632.4 Ų32.44%0.04216%0.159CC..  trans-82.8145.3174.1-175.10000111.6G144 L165 Q274G144-S163 WeakPolarHBondContact O-CB 3.48Å; G144-S163 PolarHBondContact O-OG 3.24Å; S163-L165 PolarHBondContact O-N 3.01Å; S163-L165 PolarHBondContact OG-N 3.39Å; S163-L165 VanDerWaalsContact OG-N 3.08Å; S163-Q274 PolarHBondContact OG-OE1 2.78Å
164V95.7Very high95.6Very high25 Ų2531.7 Ų31.715%0.15216%0.155CC..SBendtrans-64.3-26167.9-178.70000111.4L81 P85 Y168L81-V164 HydrophobicContact CB-CG2 3.89Å; P85-V164 HydrophobicContact CG-CG1 3.73Å; V164-Y168 VanDerWaalsContact O-CE2 3.27Å; V164-Y168 WeakPolarHBondContact O-CE2 3.25Å
165L94.4Very high95.6Very high43 Ų4332.3 Ų32.323%0.22516%0.159CC..SBendtrans-90.5-20.4-171.3-62.2176.4000114S163 I167 Y168 F275 L278S163-L165 PolarHBondContact O-N 3.01Å; S163-L165 PolarHBondContact OG-N 3.39Å; S163-L165 VanDerWaalsContact OG-N 3.08Å; L165-I167 VanDerWaalsContact C-N 3.33Å; L165-I167 PolarHBondContact O-N 2.86Å; L165-Y168 WeakPolarHBondContact O-CD2 3.42Å; L165-Y168 PolarHBondContact O-N 3.06Å; L165-Y168 VanDerWaalsContact O-N 3.14Å; L165-F275 HydrophobicContact CD1-CD1 4.22Å; L165-F275 HydrophobicContact CD1-CE1 4.12Å; L165-F275 HydrophobicContact CD2-CE1 4.21Å; L165-F275 HydrophobicContact CG-CE1 4.25Å; L165-L278 HydrophobicContact CD1-CD1 3.44Å; L165-L278 VanDerWaalsContact CD1-CD1 3.44Å; L165-L278 HydrophobicContact CD1-CG 4.24Å
166Q92.5Very high95.6Very high31 Ų3135.5 Ų35.515%0.14518%0.18CC..THydrogen-bonded Turntrans-56.2-45.7-169.8-168.5165.4-63.500112.9F131 G144 H145 Y168 T169 S170F131-Q166 HydrophobicContact CE1-CG 4.39Å; F131-Q166 HydrophobicContact CE2-CG 4.17Å; F131-Q166 HydrophobicContact CZ-CG 3.49Å; F131-Q166 VanDerWaalsContact CZ-CG 3.49Å; G144-Q166 WeakPolarHBondContact O-CB 3.46Å; H145-Q166 PolarHBondContact ND1-OE1 3.17Å; Q166-Y168 PolarHBondContact O-N 3.41Å; Q166-T169 PolarHBondContact O-N 3.15Å; Q166-T169 PolarHBondContact O-OG1 2.98Å; Q166-S170 PolarHBondContact O-N 3.19Å
167I88Confident95.6Very high62 Ų6235.7 Ų35.732%0.31818%0.181SC..Hα-helixtrans-59.6-22.5-176.6-165.1169.7000113.8I92 L165 T169I92-I167 WeakPolarHBondContact CG2-O 3.5Å; L165-I167 VanDerWaalsContact C-N 3.33Å; L165-I167 PolarHBondContact O-N 2.86Å; I167-T169 VanDerWaalsContact C-N 3.28Å; I167-T169 PolarHBondContact O-N 3.19Å
168Y91.5Very high95.7Very high98 Ų9835.5 Ų35.538%0.38418%0.18SC..Hα-helixtrans-83.4-7.1-180-55.4-72.1000113.2I92 V164 L165 Q166I92-Y168 HydrophobicContact CG2-CD1 3.98Å; V164-Y168 VanDerWaalsContact O-CE2 3.27Å; V164-Y168 WeakPolarHBondContact O-CE2 3.25Å; L165-Y168 WeakPolarHBondContact O-CD2 3.42Å; L165-Y168 PolarHBondContact O-N 3.06Å; L165-Y168 VanDerWaalsContact O-N 3.14Å; Q166-Y168 PolarHBondContact O-N 3.41Å
169T92.7Very high95.7Very high36 Ų3638 Ų3822%0.22119%0.193CC..Hα-helixtrans-113.2-21.6-177.264.20000113.7M141 Q166 I167M141-T169 HydrophobicContact CG-CG2 4.3Å; Q166-T169 PolarHBondContact O-N 3.15Å; Q166-T169 PolarHBondContact O-OG1 2.98Å; I167-T169 VanDerWaalsContact C-N 3.28Å; I167-T169 PolarHBondContact O-N 3.19Å
170S93.9Very high95.7Very high9 Ų940.9 Ų40.96%0.06320%0.204CC..Hα-helixtrans-76.4-30.7-174.155.60000114.6E93 Q166 I172 F173E93-S170 WeakPolarHBondContact OE2-CB 3.41Å; E93-S170 PolarHBondContact OE2-OG 2.94Å; Q166-S170 PolarHBondContact O-N 3.19Å; S170-I172 VanDerWaalsContact C-N 3.25Å; S170-I172 PolarHBondContact O-N 3.29Å; S170-F173 WeakPolarHBondContact O-CD2 3.41Å; S170-F173 PolarHBondContact O-N 3.48Å; S170-F173 VanDerWaalsContact O-N 3.07Å
171W94.9Very high95.8Very high73 Ų7338.8 Ų38.828%0.27719%0.193SC..Hα-helixtrans-57.9-31-167.670.2-89000115.6E93 F173 Y174 S175E93-W171 HydrophobicContact CB-CB 3.92Å; E93-W171 HydrophobicContact CG-CB 4.07Å; W171-F173 VanDerWaalsContact C-N 3.25Å; W171-F173 PolarHBondContact O-N 2.83Å; W171-Y174 PolarHBondContact O-N 3.31Å; W171-S175 PolarHBondContact O-N 3.31Å; W171-S175 PolarHBondContact O-OG 2.86Å
172I96.4Very high95.8Very high98 Ų9838.9 Ų38.950%0.50319%0.194SC..Hα-helixtrans-63.6-35.9-178.3-60.5173.4000110.5S170 Y174 S175S170-I172 VanDerWaalsContact C-N 3.25Å; S170-I172 PolarHBondContact O-N 3.29Å; I172-Y174 VanDerWaalsContact C-N 3.29Å; I172-Y174 PolarHBondContact O-N 3.13Å; I172-S175 WeakPolarHBondContact O-CB 3.4Å; I172-S175 PolarHBondContact O-N 3.12Å
173F97.7Very high95.9Very high51 Ų5137.7 Ų37.722%0.22419%0.19CC..Hα-helixtrans-74-22.2-174.6-60.8-83.6000113.2G127 W130 F131 M134 M141 S170 W171G127-F173 WeakPolarHBondContact O-CB 3.26Å; W130-F173 HydrophobicContact CB-CD1 3.76Å; W130-F173 HydrophobicContact CB-CE1 4.25Å; F131-F173 HydrophobicContact CB-CB 3.95Å; F131-F173 HydrophobicContact CB-CD1 4.42Å; F131-F173 HydrophobicContact CB-CD2 3.6Å; F131-F173 HydrophobicContact CB-CE2 4.23Å; F131-F173 HydrophobicContact CB-CG 3.72Å; F131-F173 HydrophobicContact CD2-CD2 4.17Å; F131-F173 HydrophobicContact CD2-CE2 4.28Å; F131-F173 HydrophobicContact CG-CD2 4.37Å; M134-F173 HydrophobicContact CB-CE1 4.15Å; M134-F173 HydrophobicContact CB-CZ 3.68Å; M134-F173 HydrophobicContact CG-CE1 3.67Å; M134-F173 HydrophobicContact CG-CZ 3.66Å; M141-F173 HydrophobicContact CE-CE2 3.54Å; M141-F173 HydrophobicContact CE-CZ 3.84Å; M141-F173 HydrophobicContact SD-CE2 4.3Å; M141-F173 HydrophobicContact SD-CZ 4.24Å; S170-F173 WeakPolarHBondContact O-CD2 3.41Å; S170-F173 PolarHBondContact O-N 3.48Å; S170-F173 VanDerWaalsContact O-N 3.07Å; W171-F173 VanDerWaalsContact C-N 3.25Å; W171-F173 PolarHBondContact O-N 2.83Å
174Y97.9Very high95.9Very high10 Ų1037.5 Ų37.54%0.03919%0.188CC..Hα-helixtrans-94.7-17.8176-56.9-61.4000113.4E93 Y97 V124 W171 I172 P176 L177 Y186 L190E93-Y174 HydrophobicContact CG-CD2 4.23Å; E93-Y174 WeakPolarHBondContact OE2-CD2 3.46Å; E93-Y174 WeakPolarHBondContact OE2-CE2 3.47Å; Y97-Y174 WeakPolarHBondContact CE2-O 3.27Å; V124-Y174 HydrophobicContact CG1-CE1 4.18Å; W171-Y174 PolarHBondContact O-N 3.31Å; I172-Y174 VanDerWaalsContact C-N 3.29Å; I172-Y174 PolarHBondContact O-N 3.13Å; Y174-P176 VanDerWaalsContact C-N 3.32Å; Y174-L177 WeakPolarHBondContact O-CB 3.49Å; Y174-L177 PolarHBondContact O-N 3.28Å; Y174-Y186 WeakPolarHBondContact CB-OH 3.49Å; Y174-Y186 HydrophobicContact CD1-CE2 4.08Å; Y174-Y186 VanDerWaalsContact CD2-OH 3.26Å; Y174-Y186 WeakPolarHBondContact CD2-OH 3.3Å; Y174-Y186 AromaticContact CG-CE2 3.83Å; Y174-Y186 HydrophobicContact CG-CE2 3.83Å; Y174-Y186 VanDerWaalsContact CG-OH 3.28Å; Y174-L190 HydrophobicContact CD1-CD2 4.4Å; Y174-L190 HydrophobicContact CD2-CD2 4.15Å; Y174-L190 HydrophobicContact CE1-CD2 4.1Å; Y174-L190 HydrophobicContact CE2-CD2 3.82Å; Y174-L190 HydrophobicContact CG-CD2 4.42Å
175S97Very high96Very high16 Ų1636.4 Ų36.411%0.11218%0.182CC..G310 helixtrans-53.4-37.4-176.6-66.90000114.6W171 I172 L177 A178W171-S175 PolarHBondContact O-N 3.31Å; W171-S175 PolarHBondContact O-OG 2.86Å; I172-S175 WeakPolarHBondContact O-CB 3.4Å; I172-S175 PolarHBondContact O-N 3.12Å; S175-L177 PolarHBondContact O-N 2.88Å; S175-A178 WeakPolarHBondContact O-CB 3.32Å; S175-A178 PolarHBondContact O-N 3.23Å; S175-A178 VanDerWaalsContact O-N 3.14Å
176P97.7Very high96.2Very high72 Ų7234.4 Ų34.447%0.46817%0.171SC..G310 helixtrans-59.1-31.4175.6-26.936.5000114.3Y174 A178 L179 F180Y174-P176 VanDerWaalsContact C-N 3.32Å; P176-A178 PolarHBondContact O-N 3.19Å; P176-L179 WeakPolarHBondContact O-CB 3.44Å; P176-L179 WeakPolarHBondContact O-CG 3.47Å; P176-L179 PolarHBondContact O-N 2.77Å; P176-F180 VanDerWaalsContact O-CE1 3.25Å; P176-F180 WeakPolarHBondContact O-CE1 3.33Å
177L98.2Very high96.4Very high16 Ų1633.2 Ų33.28%0.08417%0.166CC..G310 helixtrans-67.3-28.3179.3-55.1176.4000111.8Y97 G123 V124 Y174 S175 L179 F180 I181Y97-L177 HydrophobicContact CE2-CB 3.97Å; Y97-L177 WeakPolarHBondContact OH-CB 3.47Å; Y97-L177 PolarHBondContact OH-O 3.21Å; G123-L177 VanDerWaalsContact C-CD1 3.44Å; V124-L177 HydrophobicContact CG2-CD1 3.91Å; Y174-L177 WeakPolarHBondContact O-CB 3.49Å; Y174-L177 PolarHBondContact O-N 3.28Å; S175-L177 PolarHBondContact O-N 2.88Å; L177-L179 PolarHBondContact O-N 3.24Å; L177-F180 HydrophobicContact CD2-CE2 4.01Å; L177-F180 HydrophobicContact CD2-CZ 3.76Å; L177-F180 PolarHBondContact O-N 3.25Å; L177-I181 HydrophobicContact CB-CB 4.48Å; L177-I181 HydrophobicContact CB-CG1 4.36Å; L177-I181 PolarHBondContact O-N 3.09Å
178A98.2Very high96.9Very high0 Ų030.2 Ų30.20%015%0.151CC..G310 helixtrans-64.3-8.9177.600000113.1Y97 I100 W101 S175 P176 F180Y97-A178 HydrophobicContact CD1-CB 3.79Å; Y97-A178 HydrophobicContact CD2-CB 3.88Å; Y97-A178 HydrophobicContact CE1-CB 3.64Å; Y97-A178 HydrophobicContact CE2-CB 3.76Å; Y97-A178 HydrophobicContact CG-CB 3.9Å; Y97-A178 VanDerWaalsContact CZ-CA 3.41Å; Y97-A178 WeakPolarHBondContact OH-CA 3.21Å; Y97-A178 PolarHBondContact OH-N 3.48Å; I100-A178 HydrophobicContact CB-CB 3.83Å; I100-A178 HydrophobicContact CG2-CB 3.67Å; W101-A178 WeakPolarHBondContact CA-O 3.25Å; W101-A178 HydrophobicContact CB-CB 4.42Å; W101-A178 VanDerWaalsContact CE3-O 3.29Å; S175-A178 WeakPolarHBondContact O-CB 3.32Å; S175-A178 PolarHBondContact O-N 3.23Å; S175-A178 VanDerWaalsContact O-N 3.14Å; P176-A178 PolarHBondContact O-N 3.19Å; A178-F180 VanDerWaalsContact C-N 3.27Å
179L98.3Very high97.2Very high52 Ų5225.6 Ų25.627%0.27213%0.133SC..G310 helixtrans-76-15.1173-59.9177.8000113I100 Y104 L106 F107 P176 L177I100-L179 HydrophobicContact CG2-CD2 4.06Å; Y104-L179 VanDerWaalsContact O-CD2 3.26Å; Y104-L179 WeakPolarHBondContact O-CD2 3.28Å; L106-L179 HydrophobicContact CD1-CB 4.49Å; L106-L179 HydrophobicContact CD1-CD1 4.37Å; L106-L179 HydrophobicContact CG-CB 4.38Å; L106-L179 PolarHBondContact N-O 3.04Å; F107-L179 PolarHBondContact N-O 3Å; F107-L179 VanDerWaalsContact N-O 3.1Å; P176-L179 WeakPolarHBondContact O-CB 3.44Å; P176-L179 WeakPolarHBondContact O-CG 3.47Å; P176-L179 PolarHBondContact O-N 2.77Å; L177-L179 PolarHBondContact O-N 3.24Å
180F97.9Very high97.4Very high72 Ų7225 Ų2532%0.31613%0.128SC..THydrogen-bonded Turntrans-151-23.4-174.450-90.9000116.3F107 L109 P176 L177 A178F107-F180 HydrophobicContact CB-CB 4.19Å; F107-F180 WeakPolarHBondContact O-CA 3.45Å; L109-F180 VanDerWaalsContact CB-O 3.28Å; L109-F180 WeakPolarHBondContact CB-O 3.45Å; L109-F180 HydrophobicContact CD1-CB 4.18Å; L109-F180 HydrophobicContact CD1-CD2 4.13Å; L109-F180 WeakPolarHBondContact CD1-O 3.47Å; L109-F180 HydrophobicContact CG-CB 4.47Å; L109-F180 VanDerWaalsContact CG-O 3.28Å; L109-F180 WeakPolarHBondContact CG-O 3.29Å; L109-F180 PolarHBondContact N-O 3.17Å; P176-F180 VanDerWaalsContact O-CE1 3.25Å; P176-F180 WeakPolarHBondContact O-CE1 3.33Å; L177-F180 HydrophobicContact CD2-CE2 4.01Å; L177-F180 HydrophobicContact CD2-CZ 3.76Å; L177-F180 PolarHBondContact O-N 3.25Å; A178-F180 VanDerWaalsContact C-N 3.27Å
181I98.2Very high97.6Very high0 Ų026 Ų260%013%0.132CC..SBendtrans-96.3125.2178.2-59.1-62.2000111.5Y97 W101 L109 T116 A120 L177 V185Y97-I181 WeakPolarHBondContact OH-CB 3.35Å; Y97-I181 PolarHBondContact OH-O 3.46Å; W101-I181 VanDerWaalsContact CE3-O 3.26Å; W101-I181 WeakPolarHBondContact CZ3-O 3.41Å; L109-I181 HydrophobicContact CD1-CD1 3.85Å; T116-I181 HydrophobicContact CG2-CD1 4.09Å; A120-I181 HydrophobicContact CB-CD1 4.16Å; A120-I181 HydrophobicContact CB-CG1 4.4Å; A120-I181 HydrophobicContact CB-CG2 3.74Å; L177-I181 HydrophobicContact CB-CB 4.48Å; L177-I181 HydrophobicContact CB-CG1 4.36Å; L177-I181 PolarHBondContact O-N 3.09Å; I181-V185 HydrophobicContact CG2-CB 4.13Å; I181-V185 HydrophobicContact CG2-CG1 4.22Å
182P97.8Very high97.7Very high7 Ų722.5 Ų22.55%0.04512%0.119CC..  trans-56.4143.6175.8-25.433.5000113.8W101 L109 W111 S184 V185 Y186W101-P182 HydrophobicContact CH2-CB 4.08Å; W101-P182 HydrophobicContact CH2-CG 3.75Å; W101-P182 HydrophobicContact CZ2-CB 4.07Å; W101-P182 HydrophobicContact CZ2-CG 4.11Å; W101-P182 HydrophobicContact CZ3-CG 4.49Å; L109-P182 WeakPolarHBondContact O-CG 3.16Å; W111-P182 HydrophobicContact CB-CB 4.46Å; W111-P182 HydrophobicContact CB-CG 4.3Å; P182-S184 VanDerWaalsContact C-N 3.29Å; P182-S184 PolarHBondContact O-N 3.37Å; P182-V185 HydrophobicContact CB-CG2 4.22Å; P182-V185 HydrophobicContact CG-CG2 4.4Å; P182-V185 PolarHBondContact O-N 3.48Å; P182-Y186 PolarHBondContact O-N 3.26Å
183P97.8Very high97.8Very high15 Ų1518 Ų1810%0.09710%0.096CC..Hα-helixtrans-59.3-33.6-178-27.335.1000114.7Y97 I98 W101 Y186 A187Y97-P183 HydrophobicContact CD1-CB 4.31Å; Y97-P183 HydrophobicContact CD1-CG 4.26Å; Y97-P183 HydrophobicContact CE1-CB 4.46Å; Y97-P183 HydrophobicContact CE1-CG 4.31Å; I98-P183 HydrophobicContact CG1-CB 4.03Å; I98-P183 HydrophobicContact CG1-CG 4.22Å; W101-P183 HydrophobicContact CB-CG 3.94Å; W101-P183 HydrophobicContact CD2-CG 4.11Å; W101-P183 HydrophobicContact CG-CG 3.57Å; P183-Y186 PolarHBondContact O-N 3.24Å; P183-A187 VanDerWaalsContact O-CB 3.3Å; P183-A187 WeakPolarHBondContact O-CB 3.38Å; P183-A187 PolarHBondContact O-N 3.02Å
184S97.6Very high97.7Very high2 Ų219.6 Ų19.61%0.01411%0.106CC..Hα-helixtrans-63.4-47.5177.354.70000111.4F30 T32 P182 A187 V188F30-S184 VanDerWaalsContact O-CB 3.27Å; F30-S184 WeakPolarHBondContact O-CB 3.39Å; F30-S184 PolarHBondContact O-OG 3.14Å; T32-S184 WeakPolarHBondContact O-CB 3.31Å; P182-S184 VanDerWaalsContact C-N 3.29Å; P182-S184 PolarHBondContact O-N 3.37Å; S184-A187 PolarHBondContact O-N 3.18Å; S184-V188 WeakPolarHBondContact O-CG2 3.14Å; S184-V188 PolarHBondContact O-N 3.18Å
185V98.1Very high97.7Very high1 Ų119.1 Ų19.11%0.00610%0.104CC..Hα-helixtrans-62.9-48.4176.7-176.10000109.7W111 T116 A120 I181 P182 A187 V188 H189W111-V185 HydrophobicContact CB-CG2 4.2Å; T116-V185 HydrophobicContact CG2-CG1 4.43Å; T116-V185 HydrophobicContact CG2-CG2 4.45Å; A120-V185 HydrophobicContact CB-CG1 3.53Å; I181-V185 HydrophobicContact CG2-CB 4.13Å; I181-V185 HydrophobicContact CG2-CG1 4.22Å; P182-V185 HydrophobicContact CB-CG2 4.22Å; P182-V185 HydrophobicContact CG-CG2 4.4Å; P182-V185 PolarHBondContact O-N 3.48Å; V185-A187 VanDerWaalsContact C-N 3.34Å; V185-A187 PolarHBondContact O-N 3.37Å; V185-V188 WeakPolarHBondContact O-CB 3.44Å; V185-V188 PolarHBondContact O-N 3.06Å; V185-H189 PolarHBondContact O-CD2 3.21Å; V185-H189 PolarHBondContact O-N 3.27Å; V185-H189 VanDerWaalsContact O-N 3.13Å
186Y98.1Very high97.7Very high1 Ų118.6 Ų18.60%0.00410%0.1CC..Hα-helixtrans-53.7-47.1175.1167.7-112.4000113.1E93 L94 Y97 V124 Y174 P182 P183 V188 H189 L190E93-Y186 VanDerWaalsContact CG-OH 3.24Å; E93-Y186 WeakPolarHBondContact CG-OH 3.41Å; L94-Y186 HydrophobicContact CD2-CD1 4.09Å; L94-Y186 HydrophobicContact CD2-CE1 3.95Å; Y97-Y186 AromaticContact CD1-CD1 3.75Å; Y97-Y186 HydrophobicContact CD1-CD1 3.75Å; Y97-Y186 HydrophobicContact CD1-CE1 4.18Å; Y97-Y186 HydrophobicContact CD1-CG 4.26Å; Y97-Y186 AromaticContact CD2-CD1 3.57Å; Y97-Y186 HydrophobicContact CD2-CD1 3.57Å; Y97-Y186 HydrophobicContact CD2-CD2 4.09Å; Y97-Y186 AromaticContact CD2-CE1 3.35Å; Y97-Y186 HydrophobicContact CD2-CE1 3.35Å; Y97-Y186 AromaticContact CD2-CE2 3.91Å; Y97-Y186 HydrophobicContact CD2-CE2 3.91Å; Y97-Y186 AromaticContact CD2-CG 3.91Å; Y97-Y186 HydrophobicContact CD2-CG 3.91Å; Y97-Y186 AromaticContact CD2-CZ 3.5Å; Y97-Y186 AromaticContact CE1-CD1 3.87Å; Y97-Y186 HydrophobicContact CE1-CD1 3.87Å; Y97-Y186 AromaticContact CE1-CG 3.9Å; Y97-Y186 HydrophobicContact CE1-CG 3.9Å; Y97-Y186 AromaticContact CE2-CD1 3.67Å; Y97-Y186 HydrophobicContact CE2-CD1 3.67Å; Y97-Y186 AromaticContact CE2-CD2 3.52Å; Y97-Y186 HydrophobicContact CE2-CD2 3.52Å; Y97-Y186 AromaticContact CE2-CE1 3.82Å; Y97-Y186 HydrophobicContact CE2-CE1 3.82Å; Y97-Y186 AromaticContact CE2-CE2 3.69Å; Y97-Y186 HydrophobicContact CE2-CE2 3.69Å; Y97-Y186 AromaticContact CE2-CG 3.49Å; Y97-Y186 HydrophobicContact CE2-CG 3.49Å; Y97-Y186 VanDerWaalsContact CE2-CG 3.49Å; Y97-Y186 AromaticContact CE2-CZ 3.81Å; Y97-Y186 AromaticContact CG-CD1 3.6Å; Y97-Y186 HydrophobicContact CG-CD1 3.6Å; Y97-Y186 AromaticContact CG-CE1 3.54Å; Y97-Y186 HydrophobicContact CG-CE1 3.54Å; Y97-Y186 HydrophobicContact CG-CG 4.27Å; Y97-Y186 AromaticContact CZ-CD1 3.83Å; Y97-Y186 AromaticContact CZ-CD2 3.89Å; Y97-Y186 AromaticContact CZ-CG 3.49Å; Y97-Y186 VanDerWaalsContact CZ-CG 3.49Å; V124-Y186 HydrophobicContact CG2-CD2 3.77Å; V124-Y186 HydrophobicContact CG2-CE2 4.09Å; Y174-Y186 WeakPolarHBondContact CB-OH 3.49Å; Y174-Y186 HydrophobicContact CD1-CE2 4.08Å; Y174-Y186 VanDerWaalsContact CD2-OH 3.26Å; Y174-Y186 WeakPolarHBondContact CD2-OH 3.3Å; Y174-Y186 AromaticContact CG-CE2 3.83Å; Y174-Y186 HydrophobicContact CG-CE2 3.83Å; Y174-Y186 VanDerWaalsContact CG-OH 3.28Å; P182-Y186 PolarHBondContact O-N 3.26Å; P183-Y186 PolarHBondContact O-N 3.24Å; Y186-V188 VanDerWaalsContact C-N 3.31Å; Y186-V188 PolarHBondContact O-N 3.24Å; Y186-H189 PolarHBondContact O-N 3.36Å; Y186-H189 VanDerWaalsContact O-N 3.16Å; Y186-L190 HydrophobicContact CD1-CD1 4.04Å; Y186-L190 HydrophobicContact CD2-CD1 4.43Å; Y186-L190 HydrophobicContact CD2-CG 4.13Å; Y186-L190 HydrophobicContact CE1-CD1 3.36Å; Y186-L190 HydrophobicContact CE1-CG 4.08Å; Y186-L190 HydrophobicContact CE2-CD1 3.81Å; Y186-L190 HydrophobicContact CE2-CD2 3.83Å; Y186-L190 HydrophobicContact CE2-CG 3.57Å; Y186-L190 PolarHBondContact O-N 3.21Å; Y186-L190 WeakPolarHBondContact OH-CD1 3.33Å
187A97.4Very high97.7Very high6 Ų615.9 Ų15.95%0.058%0.081CC..Hα-helixtrans-64.4-32.3-17900000113.4L33 V36 L94 P183 S184 V185 Q191L33-A187 HydrophobicContact CD1-CB 3.36Å; V36-A187 HydrophobicContact CG1-CB 4.38Å; L94-A187 HydrophobicContact CD2-CB 4.04Å; P183-A187 VanDerWaalsContact O-CB 3.3Å; P183-A187 WeakPolarHBondContact O-CB 3.38Å; P183-A187 PolarHBondContact O-N 3.02Å; S184-A187 PolarHBondContact O-N 3.18Å; V185-A187 VanDerWaalsContact C-N 3.34Å; V185-A187 PolarHBondContact O-N 3.37Å; A187-Q191 WeakPolarHBondContact O-CG 3.36Å; A187-Q191 PolarHBondContact O-N 3.02Å; A187-Q191 PolarHBondContact O-NE2 3.39Å
188V97.7Very high97.7Very high0 Ų015.5 Ų15.50%08%0.079CC..Hα-helixtrans-65-49.51721710000110.1T28 F30 V36 Y39 S184 V185 Y186 L190 Q191 F192T28-V188 WeakPolarHBondContact O-CG2 3.25Å; F30-V188 HydrophobicContact CD2-CG2 3.82Å; F30-V188 HydrophobicContact CE2-CG2 4.02Å; V36-V188 HydrophobicContact CG1-CG2 3.7Å; V36-V188 HydrophobicContact CG2-CG2 4.11Å; Y39-V188 HydrophobicContact CE2-CG1 4.23Å; Y39-V188 HydrophobicContact CE2-CG2 4.27Å; S184-V188 WeakPolarHBondContact O-CG2 3.14Å; S184-V188 PolarHBondContact O-N 3.18Å; V185-V188 WeakPolarHBondContact O-CB 3.44Å; V185-V188 PolarHBondContact O-N 3.06Å; Y186-V188 VanDerWaalsContact C-N 3.31Å; Y186-V188 PolarHBondContact O-N 3.24Å; V188-L190 PolarHBondContact O-N 3.11Å; V188-Q191 PolarHBondContact O-N 3.16Å; V188-F192 HydrophobicContact CG1-CD2 3.79Å; V188-F192 HydrophobicContact CG1-CE2 3.38Å; V188-F192 HydrophobicContact CG1-CZ 3.84Å; V188-F192 PolarHBondContact O-N 3.32Å
189H98.3Very high97.5Very high0 Ų016.7 Ų16.70%08%0.083CC..Hα-helixtrans-70-32.8-174.5-76.7-76.6000113.5Y21 W117 A120 F121 V124 V185 Y186 Q191 N193Y21-H189 AromaticContact CE2-ND1 3.53Å; Y21-H189 AromaticContact CZ-ND1 3.53Å; Y21-H189 WeakPolarHBondContact OH-CA 3.12Å; Y21-H189 WeakPolarHBondContact OH-CB 3.04Å; Y21-H189 VanDerWaalsContact OH-CG 3.29Å; Y21-H189 PolarHBondContact OH-ND1 3.12Å; Y21-H189 PolarHBondContact OH-O 3.41Å; W117-H189 AromaticContact CD1-NE2 3.5Å; W117-H189 AromaticContact CD2-CE1 3.35Å; W117-H189 AromaticContact CD2-NE2 3.49Å; W117-H189 AromaticContact CE2-CE1 3.3Å; W117-H189 AromaticContact CE2-NE2 3.55Å; W117-H189 AromaticContact CE3-CE1 3.66Å; W117-H189 AromaticContact CG-CE1 3.87Å; W117-H189 AromaticContact CG-NE2 3.47Å; W117-H189 AromaticContact CH2-CE1 3.86Å; W117-H189 AromaticContact CZ2-CE1 3.58Å; W117-H189 AromaticContact CZ3-CE1 3.89Å; W117-H189 AromaticContact NE1-CE1 3.79Å; W117-H189 AromaticContact NE1-NE2 3.56Å; W117-H189 PolarHBondContact O-CE1 2.86Å; W117-H189 PolarHBondContact O-NE2 2.97Å; A120-H189 WeakPolarHBondContact CB-CD2 3.44Å; F121-H189 WeakPolarHBondContact CA-ND1 3.5Å; F121-H189 PolarHBondContact N-ND1 3.5Å; V124-H189 HydrophobicContact CB-CB 4.14Å; V124-H189 HydrophobicContact CG1-CB 4.46Å; V124-H189 HydrophobicContact CG2-CB 3.78Å; V185-H189 PolarHBondContact O-CD2 3.21Å; V185-H189 PolarHBondContact O-N 3.27Å; V185-H189 VanDerWaalsContact O-N 3.13Å; Y186-H189 PolarHBondContact O-N 3.36Å; Y186-H189 VanDerWaalsContact O-N 3.16Å; H189-Q191 VanDerWaalsContact C-N 3.34Å; H189-N193 VanDerWaalsContact O-CB 3.27Å; H189-N193 WeakPolarHBondContact O-CB 3.21Å; H189-N193 PolarHBondContact O-N 2.89Å
190L96.8Very high97.5Very high24 Ų2414.2 Ų14.213%0.1267%0.07CC..Hα-helixtrans-57.1-47.4169-83.3177.5000111.7E93 L94 V124 Y174 Y186 V188 N193 L194E93-L190 VanDerWaalsContact OE1-CD1 3.22Å; E93-L190 WeakPolarHBondContact OE1-CD1 3.44Å; L94-L190 HydrophobicContact CD2-CD1 4.45Å; V124-L190 HydrophobicContact CG1-CD2 4.25Å; Y174-L190 HydrophobicContact CD1-CD2 4.4Å; Y174-L190 HydrophobicContact CD2-CD2 4.15Å; Y174-L190 HydrophobicContact CE1-CD2 4.1Å; Y174-L190 HydrophobicContact CE2-CD2 3.82Å; Y174-L190 HydrophobicContact CG-CD2 4.42Å; Y186-L190 HydrophobicContact CD1-CD1 4.04Å; Y186-L190 HydrophobicContact CD2-CD1 4.43Å; Y186-L190 HydrophobicContact CD2-CG 4.13Å; Y186-L190 HydrophobicContact CE1-CD1 3.36Å; Y186-L190 HydrophobicContact CE1-CG 4.08Å; Y186-L190 HydrophobicContact CE2-CD1 3.81Å; Y186-L190 HydrophobicContact CE2-CD2 3.83Å; Y186-L190 HydrophobicContact CE2-CG 3.57Å; Y186-L190 PolarHBondContact O-N 3.21Å; Y186-L190 WeakPolarHBondContact OH-CD1 3.33Å; V188-L190 PolarHBondContact O-N 3.11Å; L190-N193 PolarHBondContact O-N 2.87Å; L190-L194 PolarHBondContact O-N 3.12Å; L190-L194 VanDerWaalsContact O-N 3.08Å
191Q96.9Very high97.5Very high29 Ų2910.9 Ų10.914%0.1366%0.056CC..Hα-helixtrans-66.4-45.7-178.8-68.4-178.683.600111.1P37 V40 A187 V188 H189 N193 L194 L195P37-Q191 PolarHBondContact O-NE2 3.26Å; P37-Q191 VanDerWaalsContact O-NE2 3.1Å; P37-Q191 PolarHBondContact O-OE1 2.99Å; V40-Q191 HydrophobicContact CG2-CB 4.15Å; V40-Q191 HydrophobicContact CG2-CG 4.06Å; A187-Q191 WeakPolarHBondContact O-CG 3.36Å; A187-Q191 PolarHBondContact O-N 3.02Å; A187-Q191 PolarHBondContact O-NE2 3.39Å; V188-Q191 PolarHBondContact O-N 3.16Å; H189-Q191 VanDerWaalsContact C-N 3.34Å; Q191-N193 VanDerWaalsContact C-N 3.33Å; Q191-N193 PolarHBondContact O-N 2.98Å; Q191-L194 PolarHBondContact O-N 2.92Å; Q191-L195 WeakPolarHBondContact O-CB 3.31Å; Q191-L195 VanDerWaalsContact O-CG 3.27Å; Q191-L195 WeakPolarHBondContact O-CG 2.97Å; Q191-L195 PolarHBondContact O-N 3.1Å
192F98.1Very high97.4Very high0 Ų011.3 Ų11.30%06%0.058CC..Hα-helixtrans-65.5-34.9178.3-67.9-14.3000113.2M18 Y21 M23 T28 Y39 W117 V188 L195 Y196M18-F192 HydrophobicContact CB-CD1 4.43Å; M18-F192 HydrophobicContact CB-CE1 4.09Å; M18-F192 HydrophobicContact CG-CE1 3.73Å; M18-F192 HydrophobicContact CG-CZ 4.2Å; M18-F192 HydrophobicContact SD-CE1 4.26Å; Y21-F192 HydrophobicContact CD1-CB 3.8Å; Y21-F192 WeakPolarHBondContact CD1-O 3.2Å; Y21-F192 HydrophobicContact CD2-CB 3.61Å; Y21-F192 AromaticContact CD2-CD2 3.92Å; Y21-F192 HydrophobicContact CD2-CD2 3.92Å; Y21-F192 HydrophobicContact CD2-CG 4.16Å; Y21-F192 VanDerWaalsContact CE1-C 3.46Å; Y21-F192 HydrophobicContact CE1-CB 3.61Å; Y21-F192 HydrophobicContact CE2-CB 3.4Å; Y21-F192 VanDerWaalsContact CE2-CB 3.4Å; Y21-F192 AromaticContact CE2-CD2 3.66Å; Y21-F192 HydrophobicContact CE2-CD2 3.66Å; Y21-F192 HydrophobicContact CE2-CG 4.02Å; Y21-F192 HydrophobicContact CG-CB 3.79Å; M23-F192 HydrophobicContact CB-CE2 3.93Å; M23-F192 HydrophobicContact CB-CZ 4.12Å; M23-F192 HydrophobicContact CG-CE1 4.43Å; M23-F192 HydrophobicContact CG-CE2 4.13Å; M23-F192 HydrophobicContact CG-CZ 3.86Å; T28-F192 HydrophobicContact CG2-CE2 3.79Å; T28-F192 HydrophobicContact CG2-CZ 3.59Å; Y39-F192 HydrophobicContact CD1-CE1 4.18Å; Y39-F192 HydrophobicContact CD2-CD1 4.37Å; Y39-F192 AromaticContact CD2-CE1 3.57Å; Y39-F192 HydrophobicContact CD2-CE1 3.57Å; Y39-F192 AromaticContact CD2-CZ 3.99Å; Y39-F192 HydrophobicContact CD2-CZ 3.99Å; Y39-F192 HydrophobicContact CE1-CE1 4.42Å; Y39-F192 HydrophobicContact CE1-CZ 4.45Å; Y39-F192 AromaticContact CE2-CE1 3.86Å; Y39-F192 HydrophobicContact CE2-CE1 3.86Å; Y39-F192 AromaticContact CE2-CZ 3.78Å; Y39-F192 HydrophobicContact CE2-CZ 3.78Å; Y39-F192 AromaticContact CG-CE1 3.73Å; Y39-F192 HydrophobicContact CG-CE1 3.73Å; Y39-F192 HydrophobicContact CG-CZ 4.42Å; W117-F192 HydrophobicContact CZ2-CD2 4.42Å; W117-F192 HydrophobicContact CZ2-CE2 4.4Å; V188-F192 HydrophobicContact CG1-CD2 3.79Å; V188-F192 HydrophobicContact CG1-CE2 3.38Å; V188-F192 HydrophobicContact CG1-CZ 3.84Å; V188-F192 PolarHBondContact O-N 3.32Å; F192-L195 HydrophobicContact CD1-CD1 4.15Å; F192-L195 PolarHBondContact O-N 2.93Å; F192-Y196 WeakPolarHBondContact O-CB 3.37Å; F192-Y196 PolarHBondContact O-N 3.12Å
193N98Very high97.3Very high4 Ų414.7 Ų14.72%0.0217%0.074CC..Hα-helixtrans-62.5-45.6173.5-169.9-78.5000110.9Y21 V124 D125 H189 L190 Q191 Y196 Q197Y21-N193 HydrophobicContact CE1-CB 4.01Å; Y21-N193 VanDerWaalsContact CE1-N 3.27Å; V124-N193 HydrophobicContact CG1-CB 4.01Å; D125-N193 PolarHBondContact OD1-ND2 2.77Å; H189-N193 VanDerWaalsContact O-CB 3.27Å; H189-N193 WeakPolarHBondContact O-CB 3.21Å; H189-N193 PolarHBondContact O-N 2.89Å; L190-N193 PolarHBondContact O-N 2.87Å; Q191-N193 VanDerWaalsContact C-N 3.33Å; Q191-N193 PolarHBondContact O-N 2.98Å; N193-Y196 PolarHBondContact O-N 3.22Å; N193-Q197 WeakPolarHBondContact O-CG 3.36Å; N193-Q197 PolarHBondContact O-N 3.32Å; N193-Q197 PolarHBondContact O-NE2 2.85Å; N193-Q197 PolarHBondContact OD1-NE2 3.26Å
194L95.7Very high97.2Very high84 Ų8416.4 Ų16.444%0.448%0.084SC..Hα-helixtrans-62.3-44.2174.4177.262.7000112.5V40 L190 Q191 Y196 Q197V40-L194 HydrophobicContact CG1-CD2 4.47Å; V40-L194 HydrophobicContact CG2-CD2 3.96Å; L190-L194 PolarHBondContact O-N 3.12Å; L190-L194 VanDerWaalsContact O-N 3.08Å; Q191-L194 PolarHBondContact O-N 2.92Å; L194-Y196 VanDerWaalsContact C-N 3.34Å; L194-Y196 PolarHBondContact O-N 2.97Å; L194-Q197 PolarHBondContact O-N 2.73Å
195L96.8Very high97Very high0 Ų019 Ų190%010%0.097CC..Hα-helixtrans-62.3-41.2179.2-71.4-174.2000112M18 L19 V40 A43 F47 Q191 F192 Q197 F198M18-L195 HydrophobicContact CB-CD1 3.87Å; L19-L195 HydrophobicContact CD2-CD2 4.49Å; V40-L195 HydrophobicContact CG2-CD2 4.34Å; A43-L195 HydrophobicContact CB-CD1 4.29Å; A43-L195 HydrophobicContact CB-CD2 3.57Å; F47-L195 HydrophobicContact CE1-CD2 3.95Å; F47-L195 HydrophobicContact CE2-CD2 4.33Å; F47-L195 HydrophobicContact CZ-CD2 3.38Å; Q191-L195 WeakPolarHBondContact O-CB 3.31Å; Q191-L195 VanDerWaalsContact O-CG 3.27Å; Q191-L195 WeakPolarHBondContact O-CG 2.97Å; Q191-L195 PolarHBondContact O-N 3.1Å; F192-L195 HydrophobicContact CD1-CD1 4.15Å; F192-L195 PolarHBondContact O-N 2.93Å; L195-Q197 VanDerWaalsContact C-N 3.3Å; L195-Q197 PolarHBondContact O-N 2.95Å; L195-F198 WeakPolarHBondContact O-CB 3.47Å; L195-F198 PolarHBondContact O-N 2.94Å
196Y98.1Very high96.7Very high5 Ų524.3 Ų24.32%0.0213%0.125CC..Hα-helixtrans-59.5-41.8176.2-177.8-84.7000112.1L19 F192 N193 L194 F198 W199 I200 N216 V239L19-Y196 VanDerWaalsContact O-CA 3.27Å; L19-Y196 WeakPolarHBondContact O-CA 3.34Å; F192-Y196 WeakPolarHBondContact O-CB 3.37Å; F192-Y196 PolarHBondContact O-N 3.12Å; N193-Y196 PolarHBondContact O-N 3.22Å; L194-Y196 VanDerWaalsContact C-N 3.34Å; L194-Y196 PolarHBondContact O-N 2.97Å; Y196-F198 PolarHBondContact O-N 3.5Å; Y196-F198 VanDerWaalsContact O-N 3.12Å; Y196-W199 AromaticContact CD2-NE1 3.63Å; Y196-W199 HydrophobicContact CE2-CZ2 4.12Å; Y196-W199 AromaticContact CE2-NE1 3.52Å; Y196-W199 AromaticContact CG-NE1 3.94Å; Y196-W199 AromaticContact CZ-CZ2 3.84Å; Y196-W199 AromaticContact CZ-NE1 3.72Å; Y196-W199 PolarHBondContact O-NE1 3.21Å; Y196-I200 HydrophobicContact CE1-CG2 4.05Å; Y196-N216 PolarHBondContact OH-O 3.18Å; Y196-V239 HydrophobicContact CD1-CB 4.04Å; Y196-V239 HydrophobicContact CD1-CG1 4.07Å; Y196-V239 HydrophobicContact CD1-CG2 3.74Å; Y196-V239 HydrophobicContact CD2-CG1 3.96Å; Y196-V239 HydrophobicContact CD2-CG2 4.47Å; Y196-V239 HydrophobicContact CE1-CB 4.22Å; Y196-V239 HydrophobicContact CE1-CG1 4.06Å; Y196-V239 HydrophobicContact CE1-CG2 4.43Å; Y196-V239 HydrophobicContact CE2-CG1 3.91Å; Y196-V239 HydrophobicContact CG-CB 4.31Å; Y196-V239 HydrophobicContact CG-CG1 4.03Å; Y196-V239 HydrophobicContact CG-CG2 3.78Å
197Q97.8Very high96.5Very high16 Ų1628.8 Ų28.88%0.07515%0.149CC..Hα-helixtrans-67.7-14-177.8-68.9176.653.800113.8Y128 N193 L194 L195 I200 H201Y128-Q197 VanDerWaalsContact CZ-CD 3.44Å; Y128-Q197 PolarHBondContact OH-OE1 3.16Å; N193-Q197 WeakPolarHBondContact O-CG 3.36Å; N193-Q197 PolarHBondContact O-N 3.32Å; N193-Q197 PolarHBondContact O-NE2 2.85Å; N193-Q197 PolarHBondContact OD1-NE2 3.26Å; L194-Q197 PolarHBondContact O-N 2.73Å; L195-Q197 VanDerWaalsContact C-N 3.3Å; L195-Q197 PolarHBondContact O-N 2.95Å; Q197-I200 HydrophobicContact CB-CD1 4.36Å; Q197-I200 HydrophobicContact CG-CD1 4.39Å; Q197-I200 WeakPolarHBondContact O-CG1 2.92Å; Q197-H201 PolarHBondContact O-CE1 2.95Å; Q197-H201 PolarHBondContact O-ND1 2.77Å
198F97.3Very high96.4Very high7 Ų731 Ų313%0.03116%0.16CC..Hα-helixtrans-63.7-51.7177.4175.9-99000112.2F47 L50 M51 L156 A159 L160 L195 Y196 I200 H201F47-F198 HydrophobicContact CB-CE1 4.34Å; F47-F198 HydrophobicContact CB-CE2 4.04Å; F47-F198 HydrophobicContact CB-CZ 3.83Å; F47-F198 HydrophobicContact CD1-CB 4.38Å; F47-F198 AromaticContact CD1-CD1 3.55Å; F47-F198 HydrophobicContact CD1-CD1 3.55Å; F47-F198 AromaticContact CD1-CD2 3.82Å; F47-F198 HydrophobicContact CD1-CD2 3.82Å; F47-F198 AromaticContact CD1-CE1 3.65Å; F47-F198 HydrophobicContact CD1-CE1 3.65Å; F47-F198 AromaticContact CD1-CE2 3.92Å; F47-F198 HydrophobicContact CD1-CE2 3.92Å; F47-F198 AromaticContact CD1-CG 3.63Å; F47-F198 HydrophobicContact CD1-CG 3.63Å; F47-F198 AromaticContact CD1-CZ 3.83Å; F47-F198 HydrophobicContact CD1-CZ 3.83Å; F47-F198 HydrophobicContact CE1-CB 3.81Å; F47-F198 AromaticContact CE1-CD1 3.8Å; F47-F198 HydrophobicContact CE1-CD1 3.8Å; F47-F198 AromaticContact CE1-CD2 3.96Å; F47-F198 HydrophobicContact CE1-CD2 3.96Å; F47-F198 HydrophobicContact CE1-CE1 4.37Å; F47-F198 AromaticContact CE1-CG 3.56Å; F47-F198 HydrophobicContact CE1-CG 3.56Å; F47-F198 HydrophobicContact CG-CD2 4.24Å; F47-F198 HydrophobicContact CG-CE1 4.36Å; F47-F198 HydrophobicContact CG-CE2 4.04Å; F47-F198 HydrophobicContact CG-CG 4.48Å; F47-F198 HydrophobicContact CG-CZ 4.1Å; F47-F198 HydrophobicContact CZ-CB 4.42Å; F47-F198 HydrophobicContact CZ-CG 4.39Å; L50-F198 HydrophobicContact CB-CE1 3.98Å; L50-F198 HydrophobicContact CD1-CD1 4.26Å; L50-F198 HydrophobicContact CD1-CE1 3.83Å; M51-F198 HydrophobicContact CG-CZ 4.15Å; L156-F198 HydrophobicContact CB-CE2 4.36Å; L156-F198 HydrophobicContact CB-CZ 3.94Å; L156-F198 HydrophobicContact CD1-CE1 4.22Å; L156-F198 HydrophobicContact CD1-CZ 4.27Å; L156-F198 HydrophobicContact CD2-CD1 4.23Å; L156-F198 HydrophobicContact CD2-CE1 3.84Å; L156-F198 HydrophobicContact CD2-CZ 4.05Å; L156-F198 WeakPolarHBondContact CD2-O 3.3Å; L156-F198 HydrophobicContact CG-CE1 4.44Å; L156-F198 HydrophobicContact CG-CZ 4.33Å; A159-F198 HydrophobicContact CB-CD2 3.66Å; A159-F198 HydrophobicContact CB-CE2 4.17Å; A159-F198 HydrophobicContact CB-CG 4.48Å; L160-F198 HydrophobicContact CD2-CE2 4.47Å; L195-F198 WeakPolarHBondContact O-CB 3.47Å; L195-F198 PolarHBondContact O-N 2.94Å; Y196-F198 PolarHBondContact O-N 3.5Å; Y196-F198 VanDerWaalsContact O-N 3.12Å; F198-I200 VanDerWaalsContact C-N 3.29Å; F198-I200 PolarHBondContact O-N 3.08Å; F198-H201 PolarHBondContact O-N 3.33Å
199W95.7Very high96.3Very high25 Ų2532.5 Ų32.510%0.09518%0.175CC..Hα-helixtrans-74.6-19-168.377.4-90.6000113.7F20 Y196 H201 I205 L208 P218F20-W199 AromaticContact CD1-CD1 3.96Å; F20-W199 HydrophobicContact CD1-CD2 4.25Å; F20-W199 AromaticContact CD1-CE2 3.89Å; F20-W199 HydrophobicContact CD1-CG 4.32Å; F20-W199 HydrophobicContact CD1-CZ2 4.38Å; F20-W199 AromaticContact CD1-NE1 3.73Å; F20-W199 AromaticContact CE1-CD1 3.89Å; F20-W199 AromaticContact CE1-CD2 3.63Å; F20-W199 HydrophobicContact CE1-CD2 3.63Å; F20-W199 AromaticContact CE1-CE2 3.71Å; F20-W199 HydrophobicContact CE1-CE3 4.12Å; F20-W199 AromaticContact CE1-CG 3.8Å; F20-W199 HydrophobicContact CE1-CG 3.8Å; F20-W199 HydrophobicContact CE1-CZ2 4.28Å; F20-W199 AromaticContact CE1-NE1 3.89Å; F20-W199 HydrophobicContact CZ-CG 4.5Å; Y196-W199 AromaticContact CD2-NE1 3.63Å; Y196-W199 HydrophobicContact CE2-CZ2 4.12Å; Y196-W199 AromaticContact CE2-NE1 3.52Å; Y196-W199 AromaticContact CG-NE1 3.94Å; Y196-W199 AromaticContact CZ-CZ2 3.84Å; Y196-W199 AromaticContact CZ-NE1 3.72Å; Y196-W199 PolarHBondContact O-NE1 3.21Å; W199-H201 PolarHBondContact O-N 2.99Å; W199-I205 HydrophobicContact CE3-CD1 4.16Å; W199-I205 HydrophobicContact CZ3-CD1 4.02Å; W199-L208 HydrophobicContact CH2-CD1 3.52Å; W199-L208 HydrophobicContact CZ3-CD1 3.96Å; W199-P218 HydrophobicContact CE3-CG 4.14Å; W199-P218 HydrophobicContact CH2-CG 4.42Å; W199-P218 HydrophobicContact CZ3-CG 3.68Å
200I97.7Very high96.2Very high0 Ų037.7 Ų37.70%021%0.209CC..THydrogen-bonded Turntrans-72.4-9.9177.259173.9000113.1Y196 Q197 F198 T202 N216 P218 H221Y196-I200 HydrophobicContact CE1-CG2 4.05Å; Q197-I200 HydrophobicContact CB-CD1 4.36Å; Q197-I200 HydrophobicContact CG-CD1 4.39Å; Q197-I200 WeakPolarHBondContact O-CG1 2.92Å; F198-I200 VanDerWaalsContact C-N 3.29Å; F198-I200 PolarHBondContact O-N 3.08Å; I200-T202 PolarHBondContact O-N 3.37Å; I200-T202 VanDerWaalsContact O-N 3.11Å; I200-N216 VanDerWaalsContact CD1-ND2 3.31Å; I200-N216 WeakPolarHBondContact CD1-ND2 3.38Å; I200-P218 WeakPolarHBondContact O-CA 3.33Å; I200-H221 HydrophobicContact CB-CB 4.18Å; I200-H221 HydrophobicContact CD1-CB 3.99Å; I200-H221 HydrophobicContact CG1-CB 4.22Å
201H98Very high96.2Very high3 Ų341.2 Ų41.21%0.01423%0.227CC..  trans-84.972.4175.7-68.283.1000112.2H148 Y154 N155 L156 A159 Q197 F198 W199 H221 H225H148-H201 AromaticContact CE1-CE1 3.82Å; H148-H201 AromaticContact CE1-NE2 3.12Å; H148-H201 PolarHBondContact CE1-NE2 3.01Å; H148-H201 AromaticContact NE2-CE1 3.86Å; H148-H201 AromaticContact NE2-NE2 3.21Å; H148-H201 PolarHBondContact NE2-NE2 3.3Å; Y154-H201 AromaticContact CE2-CD2 3.77Å; Y154-H201 AromaticContact CZ-CD2 4Å; N155-H201 CarbonylContact C-O 3.51Å; N155-H201 WeakPolarHBondContact CA-O 3.46Å; L156-H201 WeakPolarHBondContact CA-O 3.49Å; L156-H201 WeakPolarHBondContact CD2-O 3.46Å; L156-H201 PolarHBondContact N-O 2.71Å; A159-H201 HydrophobicContact CB-CB 4.03Å; Q197-H201 PolarHBondContact O-CE1 2.95Å; Q197-H201 PolarHBondContact O-ND1 2.77Å; F198-H201 PolarHBondContact O-N 3.33Å; W199-H201 PolarHBondContact O-N 2.99Å; H201-H221 AromaticContact CD2-CD2 3.84Å; H201-H221 AromaticContact CD2-NE2 3.84Å; H201-H221 AromaticContact CE1-CD2 3.51Å; H201-H221 AromaticContact CE1-NE2 3.16Å; H201-H221 PolarHBondContact CE1-NE2 2.9Å; H201-H221 AromaticContact ND1-CD2 3.85Å; H201-H221 AromaticContact ND1-NE2 3.95Å; H201-H221 AromaticContact NE2-CD2 3.51Å; H201-H221 AromaticContact NE2-NE2 3.06Å; H201-H221 PolarHBondContact NE2-NE2 3.21Å; H201-H225 AromaticContact CD2-NE2 3.83Å; H201-H225 AromaticContact NE2-CE1 3.79Å; H201-H225 AromaticContact NE2-NE2 3.32Å; H201-H225 PolarHBondContact NE2-NE2 2.73Å
202T96.6Very high96.2Very high8 Ų841.4 Ų41.45%0.04923%0.228CC..  trans-155.1148.8176.4-171.30000113.2E54 I200 V204 I205 P218 R222E54-T202 VanDerWaalsContact OE1-CB 3.28Å; E54-T202 WeakPolarHBondContact OE1-CB 3.46Å; E54-T202 PolarHBondContact OE1-OG1 2.9Å; I200-T202 PolarHBondContact O-N 3.37Å; I200-T202 VanDerWaalsContact O-N 3.11Å; T202-V204 WeakPolarHBondContact OG1-CB 3.44Å; T202-V204 PolarHBondContact OG1-N 3.26Å; T202-I205 HydrophobicContact CG2-CB 4.19Å; T202-I205 HydrophobicContact CG2-CD1 4.11Å; T202-I205 HydrophobicContact CG2-CG1 4.12Å; T202-P218 HydrophobicContact CG2-CB 4.06Å; T202-P218 HydrophobicContact CG2-CG 3.99Å; T202-R222 PolarHBondContact O-NH1 2.96Å
203E95Very high96.2Very high79 Ų7946.8 Ų46.837%0.36926%0.256SS..SBendtrans-97.52.8167.2-62.4-168.6123.600112.9K62 Y154 Y259K62-E203 PolarHBondContact NZ-O 3.4Å; Y154-E203 HydrophobicContact CD1-CG 4.18Å; E203-Y259 VanDerWaalsContact OE1-CE2 3.27Å; E203-Y259 WeakPolarHBondContact OE1-CE2 3.49Å; E203-Y259 PolarHBondContact OE1-OH 2.96Å
204V94.5Very high96.2Very high51 Ų5151.3 Ų51.331%0.30928%0.279SS..SBendtrans-75-38.6178.9175.10000110.7E54 V57 T202E54-V204 HydrophobicContact CG-CG2 3.96Å; V57-V204 HydrophobicContact CG1-CG1 3.69Å; T202-V204 WeakPolarHBondContact OG1-CB 3.44Å; T202-V204 PolarHBondContact OG1-N 3.26Å
205I94Very high96.3Very high57 Ų5749.6 Ų49.629%0.29227%0.27SS..  trans-93.1114.8179.8-59.5171.4000108.3W199 T202 L208 P218 R222W199-I205 HydrophobicContact CE3-CD1 4.16Å; W199-I205 HydrophobicContact CZ3-CD1 4.02Å; T202-I205 HydrophobicContact CG2-CB 4.19Å; T202-I205 HydrophobicContact CG2-CD1 4.11Å; T202-I205 HydrophobicContact CG2-CG1 4.12Å; I205-L208 HydrophobicContact CG2-CD2 3.71Å; I205-L208 HydrophobicContact CG2-CG 4.07Å; I205-P218 HydrophobicContact CB-CB 4.25Å; I205-P218 HydrophobicContact CB-CG 3.92Å; I205-P218 HydrophobicContact CD1-CG 4.21Å; I205-P218 HydrophobicContact CG2-CG 4.03Å; I205-R222 PolarHBondContact O-NH1 3.18Å
206N92.8Very high96.4Very high111 Ų11149.6 Ų49.659%0.59427%0.27SS*.  trans-74.3-71.6-178.6-165.9-2.4000111.1S219 R222N206-S219 WeakPolarHBondContact O-CB 3.4Å; N206-R222 PolarHBondContact O-NH2 3.28Å
207N92.5Very high96.4Very high95 Ų9549.3 Ų49.351%0.50827%0.269SS..  trans-138.7160.9174.46580.5000110.8G209 E212N207-G209 PolarHBondContact OD1-N 3.25Å; N207-E212 VanDerWaalsContact CA-OE1 3.25Å; N207-E212 WeakPolarHBondContact CA-OE1 3.42Å; N207-E212 WeakPolarHBondContact CB-OE1 3.25Å
208L96.3Very high96.4Very high54 Ų5448.6 Ų48.628%0.28327%0.266SS..  trans-112.617.1177-63.2-178.8000113.3W199 I205 L211 E212 T217W199-L208 HydrophobicContact CH2-CD1 3.52Å; W199-L208 HydrophobicContact CZ3-CD1 3.96Å; I205-L208 HydrophobicContact CG2-CD2 3.71Å; I205-L208 HydrophobicContact CG2-CG 4.07Å; L208-L211 HydrophobicContact CB-CB 4.07Å; L208-L211 HydrophobicContact CB-CD1 4.37Å; L208-L211 PolarHBondContact O-N 3.35Å; L208-E212 HydrophobicContact CB-CG 4.19Å; L208-E212 PolarHBondContact N-OE1 2.93Å; L208-T217 HydrophobicContact CB-CG2 4.31Å; L208-T217 HydrophobicContact CD1-CG2 3.9Å; L208-T217 HydrophobicContact CG-CG2 4.46Å
209G95.5Very high96.4Very high31 Ų3148.8 Ų48.832%0.3227%0.268SS..G310 helixtrans55.1-128.2175.900000112.4N207 L211 E212N207-G209 PolarHBondContact OD1-N 3.25Å; G209-L211 PolarHBondContact O-N 3.24Å; G209-E212 VanDerWaalsContact O-CB 3.3Å; G209-E212 WeakPolarHBondContact O-CB 3.32Å; G209-E212 PolarHBondContact O-N 3.45Å
210P96.6Very high96.5Very high108 Ų10847.8 Ų47.870%0.70127%0.265SS*.G310 helixtrans-58.2-22.6-175.4-25.434.5000115.3E212 L213P210-E212 PolarHBondContact O-N 3.13Å; P210-L213 VanDerWaalsContact O-CB 3.27Å; P210-L213 WeakPolarHBondContact O-CB 3.16Å; P210-L213 WeakPolarHBondContact O-CG 3.44Å; P210-L213 PolarHBondContact O-N 3.43Å; P210-L213 VanDerWaalsContact O-N 3.08Å
211L96.8Very high96.6Very high98 Ų9847.9 Ų47.951%0.51327%0.265SS..G310 helixtrans-63.5-27.6177.2-64.8179.9000112.1L208 G209 L213 I214 L215L208-L211 HydrophobicContact CB-CB 4.07Å; L208-L211 HydrophobicContact CB-CD1 4.37Å; L208-L211 PolarHBondContact O-N 3.35Å; G209-L211 PolarHBondContact O-N 3.24Å; L211-L213 PolarHBondContact O-N 2.68Å; L211-L213 VanDerWaalsContact O-N 3.14Å; L211-I214 PolarHBondContact O-N 3.12Å; L211-I214 VanDerWaalsContact O-N 3.1Å; L211-L215 HydrophobicContact CB-CD1 4.36Å; L211-L215 WeakPolarHBondContact O-CB 3.36Å; L211-L215 PolarHBondContact O-N 3.45Å
212E96.7Very high96.6Very high33 Ų3348 Ų4815%0.15427%0.265CS..G310 helixtrans-68.2-7.7176-61.3-167.9162.200113N207 L208 G209 P210 I214 T217 H220 I241 K245N207-E212 VanDerWaalsContact CA-OE1 3.25Å; N207-E212 WeakPolarHBondContact CA-OE1 3.42Å; N207-E212 WeakPolarHBondContact CB-OE1 3.25Å; L208-E212 HydrophobicContact CB-CG 4.19Å; L208-E212 PolarHBondContact N-OE1 2.93Å; G209-E212 VanDerWaalsContact O-CB 3.3Å; G209-E212 WeakPolarHBondContact O-CB 3.32Å; G209-E212 PolarHBondContact O-N 3.45Å; P210-E212 PolarHBondContact O-N 3.13Å; E212-I214 VanDerWaalsContact C-N 3.28Å; E212-T217 HydrophobicContact CB-CG2 4.48Å; E212-T217 HydrophobicContact CG-CG2 3.64Å; E212-T217 WeakPolarHBondContact CG-OG1 3.44Å; E212-T217 PolarHBondContact OE1-OG1 2.79Å; E212-H220 VanDerWaalsContact CB-CE1 3.47Å; E212-H220 WeakPolarHBondContact CB-CE1 3.38Å; E212-H220 PolarHBondContact O-CE1 2.93Å; E212-H220 VanDerWaalsContact O-CE1 3.24Å; E212-I241 WeakPolarHBondContact O-CG2 3.4Å; E212-K245 PolarHBondContact O-NZ 2.88Å; E212-K245 VanDerWaalsContact O-NZ 3.15Å
213L97Very high96.7Very high113 Ų11347.6 Ų47.659%0.59226%0.263SS*.G310 helixtrans-69.6-31.4170.8-63.5177.1000111.9P210 L211 K245P210-L213 VanDerWaalsContact O-CB 3.27Å; P210-L213 WeakPolarHBondContact O-CB 3.16Å; P210-L213 WeakPolarHBondContact O-CG 3.44Å; P210-L213 PolarHBondContact O-N 3.43Å; P210-L213 VanDerWaalsContact O-N 3.08Å; L211-L213 PolarHBondContact O-N 2.68Å; L211-L213 VanDerWaalsContact O-N 3.14Å; L213-K245 VanDerWaalsContact CA-NZ 3.33Å; L213-K245 PolarHBondContact O-NZ 3.48Å
214I98.1Very high96.9Very high99 Ų9944.1 Ų44.151%0.50825%0.246SC..THydrogen-bonded Turntrans-122.8-39.2-169.1-57.5168.5000111.9L211 E212 L240 I241 I242L211-I214 PolarHBondContact O-N 3.12Å; L211-I214 VanDerWaalsContact O-N 3.1Å; E212-I214 VanDerWaalsContact C-N 3.28Å; I214-L240 HydrophobicContact CG2-CD2 4.03Å; I214-L240 CarbonylContact O-C 3.6Å; I214-L240 VanDerWaalsContact O-CA 3.26Å; I214-L240 WeakPolarHBondContact O-CA 3.49Å; I214-I241 PolarHBondContact O-N 2.95Å; I214-I242 HydrophobicContact CG2-CG2 4.25Å
215L98.3Very high97Very high48 Ų4842 Ų4225%0.25123%0.233SC..BIsolated β-bridgetrans-94143.3-174.9-60.5-177.3000111.6L211 T217 H220 V239 L240 I241L211-L215 HydrophobicContact CB-CD1 4.36Å; L211-L215 WeakPolarHBondContact O-CB 3.36Å; L211-L215 PolarHBondContact O-N 3.45Å; L215-T217 HydrophobicContact CB-CG2 4.15Å; L215-T217 WeakPolarHBondContact O-CG2 3.4Å; L215-H220 PolarHBondContact O-CE1 2.93Å; L215-H220 PolarHBondContact O-ND1 2.9Å; L215-V239 CarbonylContact C-O 3.57Å; L215-L240 HydrophobicContact CD2-CD2 4.03Å; L215-I241 WeakPolarHBondContact O-CG2 3.4Å
216N98.5Very high97.2Very high0 Ų039.5 Ų39.50%022%0.222CC..  trans-69.3128.9158.7-172.417.5000107.9Y196 I200 H220 A237 G238 V239Y196-N216 PolarHBondContact OH-O 3.18Å; I200-N216 VanDerWaalsContact CD1-ND2 3.31Å; I200-N216 WeakPolarHBondContact CD1-ND2 3.38Å; N216-H220 VanDerWaalsContact OD1-CB 3.25Å; N216-H220 WeakPolarHBondContact OD1-CB 3.25Å; N216-A237 HydrophobicContact CB-CB 4.28Å; N216-A237 PolarHBondContact ND2-O 3.34Å; N216-G238 PolarHBondContact ND2-O 3.01Å; N216-V239 PolarHBondContact N-O 3.26Å
217T98.3Very high97.4Very high0 Ų035.4 Ų35.40%020%0.198CC..  trans-129.3169.2-171.668.30000109.7L208 E212 L215 S219 H220 H221L208-T217 HydrophobicContact CB-CG2 4.31Å; L208-T217 HydrophobicContact CD1-CG2 3.9Å; L208-T217 HydrophobicContact CG-CG2 4.46Å; E212-T217 HydrophobicContact CB-CG2 4.48Å; E212-T217 HydrophobicContact CG-CG2 3.64Å; E212-T217 WeakPolarHBondContact CG-OG1 3.44Å; E212-T217 PolarHBondContact OE1-OG1 2.79Å; L215-T217 HydrophobicContact CB-CG2 4.15Å; L215-T217 WeakPolarHBondContact O-CG2 3.4Å; T217-S219 PolarHBondContact O-N 2.67Å; T217-S219 VanDerWaalsContact O-N 3.15Å; T217-H220 PolarHBondContact O-N 2.91Å; T217-H220 PolarHBondContact OG1-ND1 2.79Å; T217-H221 PolarHBondContact O-N 2.88Å
218P98Very high97.6Very high0 Ų031.1 Ų31.10%018%0.175CC..Hα-helixtrans-52.7-34.6175.9-2834000114.6W199 I200 T202 I205 R222W199-P218 HydrophobicContact CE3-CG 4.14Å; W199-P218 HydrophobicContact CH2-CG 4.42Å; W199-P218 HydrophobicContact CZ3-CG 3.68Å; I200-P218 WeakPolarHBondContact O-CA 3.33Å; T202-P218 HydrophobicContact CG2-CB 4.06Å; T202-P218 HydrophobicContact CG2-CG 3.99Å; I205-P218 HydrophobicContact CB-CB 4.25Å; I205-P218 HydrophobicContact CB-CG 3.92Å; I205-P218 HydrophobicContact CD1-CG 4.21Å; I205-P218 HydrophobicContact CG2-CG 4.03Å; P218-R222 WeakPolarHBondContact O-CB 3.5Å; P218-R222 VanDerWaalsContact O-CG 3.3Å; P218-R222 WeakPolarHBondContact O-CG 3.44Å; P218-R222 PolarHBondContact O-N 2.72Å; P218-R222 PolarHBondContact O-NH1 3.38Å
219S98Very high97.6Very high11 Ų1132.5 Ų32.58%0.07718%0.177CC..Hα-helixtrans-65.7-49.2177.5-174.40000112.6N206 T217 H221 R222 V223 E253N206-S219 WeakPolarHBondContact O-CB 3.4Å; T217-S219 PolarHBondContact O-N 2.67Å; T217-S219 VanDerWaalsContact O-N 3.15Å; S219-H221 VanDerWaalsContact C-N 3.31Å; S219-H221 PolarHBondContact O-N 3.44Å; S219-R222 PolarHBondContact O-N 3.18Å; S219-V223 PolarHBondContact O-N 3.3Å; S219-E253 WeakPolarHBondContact CA-OE2 3.4Å; S219-E253 WeakPolarHBondContact CB-OE2 3.49Å; S219-E253 VanDerWaalsContact OG-CB 3.23Å; S219-E253 WeakPolarHBondContact OG-CB 3.47Å; S219-E253 PolarHBondContact OG-OE2 3.39Å
220H98.3Very high97.6Very high5 Ų533.3 Ų33.32%0.02317%0.171CC..Hα-helixtrans-61.8-41.3176.6-57.3144.6000111.9E212 L215 N216 T217 V223 H224 N235 I241 F250E212-H220 VanDerWaalsContact CB-CE1 3.47Å; E212-H220 WeakPolarHBondContact CB-CE1 3.38Å; E212-H220 PolarHBondContact O-CE1 2.93Å; E212-H220 VanDerWaalsContact O-CE1 3.24Å; L215-H220 PolarHBondContact O-CE1 2.93Å; L215-H220 PolarHBondContact O-ND1 2.9Å; N216-H220 VanDerWaalsContact OD1-CB 3.25Å; N216-H220 WeakPolarHBondContact OD1-CB 3.25Å; T217-H220 PolarHBondContact O-N 2.91Å; T217-H220 PolarHBondContact OG1-ND1 2.79Å; H220-V223 WeakPolarHBondContact O-CB 3.3Å; H220-V223 PolarHBondContact O-N 3.34Å; H220-H224 PolarHBondContact O-N 2.69Å; H220-N235 PolarHBondContact O-ND2 3.33Å; H220-I241 HydrophobicContact CB-CD1 3.96Å; H220-F250 AromaticContact CD2-CE2 3.63Å; H220-F250 AromaticContact NE2-CE2 3.47Å; H220-F250 WeakPolarHBondContact NE2-CE2 3.46Å; H220-F250 AromaticContact NE2-CZ 3.86Å
221H98.4Very high97.6Very high1 Ų128.2 Ų28.21%0.00514%0.137CC..Hα-helixtrans-74.3-27.8-177.2-151.749.4000112.5Y154 I200 H201 T217 S219 H224 H225Y154-H221 WeakPolarHBondContact OH-CB 3.23Å; Y154-H221 PolarHBondContact OH-CD2 3.25Å; Y154-H221 VanDerWaalsContact OH-CG 3.29Å; Y154-H221 PolarHBondContact OH-O 3.45Å; Y154-H221 VanDerWaalsContact OH-O 3.13Å; I200-H221 HydrophobicContact CB-CB 4.18Å; I200-H221 HydrophobicContact CD1-CB 3.99Å; I200-H221 HydrophobicContact CG1-CB 4.22Å; H201-H221 AromaticContact CD2-CD2 3.84Å; H201-H221 AromaticContact CD2-NE2 3.84Å; H201-H221 AromaticContact CE1-CD2 3.51Å; H201-H221 AromaticContact CE1-NE2 3.16Å; H201-H221 PolarHBondContact CE1-NE2 2.9Å; H201-H221 AromaticContact ND1-CD2 3.85Å; H201-H221 AromaticContact ND1-NE2 3.95Å; H201-H221 AromaticContact NE2-CD2 3.51Å; H201-H221 AromaticContact NE2-NE2 3.06Å; H201-H221 PolarHBondContact NE2-NE2 3.21Å; T217-H221 PolarHBondContact O-N 2.88Å; S219-H221 VanDerWaalsContact C-N 3.31Å; S219-H221 PolarHBondContact O-N 3.44Å; H221-H224 AromaticContact CE1-CD2 3.48Å; H221-H224 PolarHBondContact CE1-CD2 3.41Å; H221-H224 VanDerWaalsContact CE1-CD2 3.48Å; H221-H224 AromaticContact ND1-CD2 3.75Å; H221-H224 WeakPolarHBondContact O-CB 3.46Å; H221-H224 PolarHBondContact O-N 3.03Å; H221-H225 AromaticContact CD2-CD2 3.76Å; H221-H225 AromaticContact CD2-NE2 3.76Å; H221-H225 AromaticContact CE1-CD2 3.68Å; H221-H225 AromaticContact CE1-NE2 3.52Å; H221-H225 AromaticContact NE2-CD2 3.39Å; H221-H225 PolarHBondContact NE2-CD2 3.31Å; H221-H225 AromaticContact NE2-NE2 3.02Å; H221-H225 PolarHBondContact NE2-NE2 2.96Å; H221-H225 PolarHBondContact O-CD2 2.93Å; H221-H225 PolarHBondContact O-N 3.44Å
222R98.4Very high97.7Very high6 Ų625.8 Ų25.82%0.02312%0.124CC..Hα-helixtrans-59.9-49.6166.3-80.7-171.8-57.7-88.86.3111.1Y154 T202 I205 N206 P218 S219 H224 H225 G226 E253 V257 Y259Y154-R222 HydrophobicContact CD1-CG 3.57Å; Y154-R222 HydrophobicContact CE1-CB 4.34Å; Y154-R222 HydrophobicContact CE1-CG 3.39Å; T202-R222 PolarHBondContact O-NH1 2.96Å; I205-R222 PolarHBondContact O-NH1 3.18Å; N206-R222 PolarHBondContact O-NH2 3.28Å; P218-R222 WeakPolarHBondContact O-CB 3.5Å; P218-R222 VanDerWaalsContact O-CG 3.3Å; P218-R222 WeakPolarHBondContact O-CG 3.44Å; P218-R222 PolarHBondContact O-N 2.72Å; P218-R222 PolarHBondContact O-NH1 3.38Å; S219-R222 PolarHBondContact O-N 3.18Å; R222-H224 VanDerWaalsContact C-N 3.27Å; R222-H224 PolarHBondContact O-N 2.87Å; R222-H225 CarbonylContact O-C 3.49Å; R222-H225 PolarHBondContact O-N 2.98Å; R222-H225 VanDerWaalsContact O-N 3.12Å; R222-G226 PolarHBondContact O-N 3.31Å; R222-E253 IonicContact CZ-OE1 2.93Å; R222-E253 IonicContact CZ-OE2 3.81Å; R222-E253 VanDerWaalsContact CZ-OE2 3.26Å; R222-E253 VanDerWaalsContact NE-CD 3.34Å; R222-E253 IonicContact NE-OE1 3.64Å; R222-E253 PolarHBondContact NE-OE1 3.01Å; R222-E253 IonicContact NE-OE2 3.35Å; R222-E253 PolarHBondContact NE-OE2 3.23Å; R222-E253 VanDerWaalsContact NE-OE2 3.09Å; R222-E253 IonicContact NH2-OE1 3.46Å; R222-E253 IonicContact NH2-OE2 2.85Å; R222-E253 PolarHBondContact NH2-OE2 3.34Å; R222-V257 HydrophobicContact CB-CG2 4.34Å; R222-V257 WeakPolarHBondContact O-CG1 3.41Å; R222-Y259 HydrophobicContact CB-CE1 4.4Å; R222-Y259 WeakPolarHBondContact CD-OH 3.4Å; R222-Y259 HydrophobicContact CG-CE1 4.33Å; R222-Y259 WeakPolarHBondContact CG-OH 3.23Å
223V98.4Very high97.7Very high0 Ų026 Ų260%013%0.127CC..Hα-helixtrans-56.8-44.6176.2175.20000110.5S219 H220 H225 G226 Y230 C231 K234 E251 E253S219-V223 PolarHBondContact O-N 3.3Å; H220-V223 WeakPolarHBondContact O-CB 3.3Å; H220-V223 PolarHBondContact O-N 3.34Å; V223-H225 VanDerWaalsContact C-N 3.3Å; V223-H225 PolarHBondContact O-N 3.49Å; V223-G226 PolarHBondContact O-N 2.92Å; V223-Y230 HydrophobicContact CG1-CE2 4.23Å; V223-Y230 HydrophobicContact CG2-CE2 4.36Å; V223-C231 HydrophobicContact CG1-CB 4.32Å; V223-C231 WeakPolarHBondContact O-CB 3.43Å; V223-C231 PolarHBondContact O-SG 3.47Å; V223-C231 VanDerWaalsContact O-SG 3.4Å; V223-K234 HydrophobicContact CG1-CB 4.39Å; V223-E251 HydrophobicContact CG1-CB 4.01Å; V223-E251 HydrophobicContact CG1-CG 4.08Å; V223-E253 HydrophobicContact CG2-CB 3.59Å; V223-E253 HydrophobicContact CG2-CG 4.04Å
224H98.6Very high97.8Very high5 Ų523.2 Ų23.22%0.02311%0.11CC..Hα-helixtrans-57.1-40.7177.1179.266.6000113.5H132 H136 H149 H220 H221 R222 G226 K234 N235 Y236H132-H224 AromaticContact CE1-CD2 3.77Å; H132-H224 AromaticContact CE1-CE1 3.37Å; H132-H224 PolarHBondContact CE1-CE1 3.32Å; H132-H224 AromaticContact CE1-NE2 3Å; H132-H224 PolarHBondContact CE1-NE2 3.24Å; H132-H224 AromaticContact NE2-CE1 3.51Å; H132-H224 AromaticContact NE2-NE2 3.04Å; H132-H224 PolarHBondContact NE2-NE2 3.36Å; H136-H224 AromaticContact CD2-CE1 3.78Å; H136-H224 AromaticContact CE1-CE1 3.46Å; H136-H224 PolarHBondContact CE1-CE1 3.33Å; H136-H224 VanDerWaalsContact CE1-CE1 3.46Å; H136-H224 AromaticContact CE1-NE2 3.7Å; H136-H224 AromaticContact NE2-CE1 3.09Å; H136-H224 PolarHBondContact NE2-CE1 2.83Å; H136-H224 AromaticContact NE2-NE2 3.23Å; H136-H224 PolarHBondContact NE2-NE2 3.36Å; H149-H224 AromaticContact CE1-CD2 3.48Å; H149-H224 PolarHBondContact CE1-CD2 3.32Å; H149-H224 VanDerWaalsContact CE1-CD2 3.48Å; H149-H224 AromaticContact CE1-NE2 3.25Å; H149-H224 PolarHBondContact CE1-NE2 3.43Å; H149-H224 VanDerWaalsContact CE1-NE2 3.25Å; H149-H224 PolarHBondContact CE1-O 3.12Å; H149-H224 AromaticContact NE2-CD2 3.84Å; H149-H224 AromaticContact NE2-NE2 3.24Å; H149-H224 PolarHBondContact NE2-NE2 2.92Å; H220-H224 PolarHBondContact O-N 2.69Å; H221-H224 AromaticContact CE1-CD2 3.48Å; H221-H224 PolarHBondContact CE1-CD2 3.41Å; H221-H224 VanDerWaalsContact CE1-CD2 3.48Å; H221-H224 AromaticContact ND1-CD2 3.75Å; H221-H224 WeakPolarHBondContact O-CB 3.46Å; H221-H224 PolarHBondContact O-N 3.03Å; R222-H224 VanDerWaalsContact C-N 3.27Å; R222-H224 PolarHBondContact O-N 2.87Å; H224-G226 VanDerWaalsContact C-N 3.3Å; H224-K234 PolarHBondContact ND1-O 3.4Å; H224-N235 HydrophobicContact CB-CB 4.07Å; H224-N235 PolarHBondContact ND1-O 3.04Å; H224-N235 VanDerWaalsContact ND1-O 3.13Å; H224-Y236 AromaticContact CE1-CD1 3.95Å
225H98.4Very high97.8Very high6 Ų618.5 Ų18.53%0.0289%0.085CC..Hα-helixtrans-81.8-6.4177.6-82.7-100000114.7H148 H149 Y154 H201 H221 R222 V223 Y259H148-H225 AromaticContact CD2-CE1 3.42Å; H148-H225 PolarHBondContact CD2-CE1 2.96Å; H148-H225 VanDerWaalsContact CD2-CE1 3.42Å; H148-H225 AromaticContact CD2-NE2 3.77Å; H148-H225 AromaticContact CE1-CE1 3.7Å; H148-H225 AromaticContact CG-CE1 3.97Å; H148-H225 AromaticContact NE2-CE1 3.27Å; H148-H225 PolarHBondContact NE2-CE1 3.4Å; H148-H225 VanDerWaalsContact NE2-CE1 3.27Å; H148-H225 AromaticContact NE2-NE2 3.32Å; H148-H225 PolarHBondContact NE2-NE2 3.08Å; H149-H225 AromaticContact CE1-CE1 3.98Å; H149-H225 AromaticContact CE1-CG 3.86Å; H149-H225 AromaticContact CE1-ND1 3.79Å; H149-H225 AromaticContact ND1-CG 3.99Å; H149-H225 AromaticContact ND1-ND1 3.72Å; Y154-H225 HydrophobicContact CD2-CB 3.92Å; Y154-H225 HydrophobicContact CE2-CB 3.52Å; Y154-H225 AromaticContact CE2-CD2 3.46Å; Y154-H225 VanDerWaalsContact CE2-CD2 3.46Å; Y154-H225 WeakPolarHBondContact CE2-CD2 3.33Å; Y154-H225 AromaticContact CE2-CG 3.3Å; Y154-H225 AromaticContact CE2-ND1 3.75Å; Y154-H225 AromaticContact CE2-NE2 3.95Å; Y154-H225 AromaticContact CZ-CD2 3.93Å; H201-H225 AromaticContact CD2-NE2 3.83Å; H201-H225 AromaticContact NE2-CE1 3.79Å; H201-H225 AromaticContact NE2-NE2 3.32Å; H201-H225 PolarHBondContact NE2-NE2 2.73Å; H221-H225 AromaticContact CD2-CD2 3.76Å; H221-H225 AromaticContact CD2-NE2 3.76Å; H221-H225 AromaticContact CE1-CD2 3.68Å; H221-H225 AromaticContact CE1-NE2 3.52Å; H221-H225 AromaticContact NE2-CD2 3.39Å; H221-H225 PolarHBondContact NE2-CD2 3.31Å; H221-H225 AromaticContact NE2-NE2 3.02Å; H221-H225 PolarHBondContact NE2-NE2 2.96Å; H221-H225 PolarHBondContact O-CD2 2.93Å; H221-H225 PolarHBondContact O-N 3.44Å; R222-H225 CarbonylContact O-C 3.49Å; R222-H225 PolarHBondContact O-N 2.98Å; R222-H225 VanDerWaalsContact O-N 3.12Å; V223-H225 VanDerWaalsContact C-N 3.3Å; V223-H225 PolarHBondContact O-N 3.49Å; H225-Y259 HydrophobicContact CB-CD1 4.08Å; H225-Y259 HydrophobicContact CB-CE1 4.48Å
226G97.7Very high97.8Very high6 Ų616.2 Ų16.26%0.0627%0.073CC..BIsolated β-bridgetrans-71.8143.1-178.700000113.1R222 V223 H224 C231 V258R222-G226 PolarHBondContact O-N 3.31Å; V223-G226 PolarHBondContact O-N 2.92Å; H224-G226 VanDerWaalsContact C-N 3.3Å; G226-C231 WeakPolarHBondContact O-CB 3.46Å; G226-V258 WeakPolarHBondContact CA-O 2.93Å
227R96.9Very high97.8Very high25 Ų2516.2 Ų16.29%0.0947%0.073CC..  trans-99.63.5169.179.6-175.5-179.2-164.7-10.6113.5E152 V258 G260 L261 T262 V320E152-R227 IonicContact OE1-NH1 3.05Å; R227-V258 HydrophobicContact CG-CB 4.47Å; R227-V258 HydrophobicContact CG-CG1 4.39Å; R227-V258 WeakPolarHBondContact CG-O 3.24Å; R227-V258 PolarHBondContact N-O 3.21Å; R227-G260 WeakPolarHBondContact CB-O 3.11Å; R227-L261 VanDerWaalsContact CD-O 3.26Å; R227-L261 WeakPolarHBondContact CD-O 3.45Å; R227-L261 PolarHBondContact NH1-O 3.16Å; R227-T262 HydrophobicContact CB-CG2 4.18Å; R227-V320 HydrophobicContact CG-CG1 3.87Å
228N96.7Very high97.8Very high5 Ų516.2 Ų16.23%0.0277%0.073CC..SBendtrans-56.7145.8167.8-55.758000108.7Y230 C231 E255 K256 V257 V258 V320N228-Y230 HydrophobicContact CB-CD1 3.54Å; N228-Y230 HydrophobicContact CB-CE1 3.5Å; N228-Y230 PolarHBondContact O-N 3.38Å; N228-Y230 VanDerWaalsContact O-N 3.11Å; N228-C231 HydrophobicContact CB-CB 4.31Å; N228-C231 VanDerWaalsContact O-CB 3.24Å; N228-C231 WeakPolarHBondContact O-CB 3.49Å; N228-C231 PolarHBondContact O-N 2.9Å; N228-E255 PolarHBondContact ND2-OE1 3.37Å; N228-K256 PolarHBondContact ND2-O 3.23Å; N228-K256 VanDerWaalsContact ND2-O 3.11Å; N228-V257 WeakPolarHBondContact OD1-CA 3.21Å; N228-V258 PolarHBondContact OD1-N 2.68Å; N228-V320 HydrophobicContact CB-CG2 3.99Å
229R95.8Very high97.9Very high83 Ų8316.4 Ų16.431%0.3138%0.075SC..G310 helixtrans-55.3-36.9-176.7-72.9-176.5177.7157-3.5113.6C231 S314 E315 I317 E319R229-C231 VanDerWaalsContact C-N 3.28Å; R229-C231 PolarHBondContact O-N 3.26Å; R229-S314 PolarHBondContact NE-O 3.09Å; R229-E315 PolarHBondContact NH2-O 3.41Å; R229-E315 VanDerWaalsContact NH2-O 3.13Å; R229-I317 HydrophobicContact CG-CB 4.12Å; R229-I317 HydrophobicContact CG-CG2 4.16Å; R229-I317 PolarHBondContact NE-O 3.36Å; R229-I317 PolarHBondContact NH2-O 3.47Å; R229-E319 IonicContact CZ-OE1 3.59Å; R229-E319 IonicContact NH1-OE1 3.47Å; R229-E319 PolarHBondContact NH1-OE1 2.81Å; R229-E319 VanDerWaalsContact NH2-CG 3.28Å; R229-E319 IonicContact NH2-OE1 3.49Å
230Y95.7Very high97.9Very high48 Ų4816.5 Ų16.519%0.1887%0.074CC..G310 helixtrans-72.2-21.3179.283.8-82000113.5V223 N228 K234 E251 N254 E255V223-Y230 HydrophobicContact CG1-CE2 4.23Å; V223-Y230 HydrophobicContact CG2-CE2 4.36Å; N228-Y230 HydrophobicContact CB-CD1 3.54Å; N228-Y230 HydrophobicContact CB-CE1 3.5Å; N228-Y230 PolarHBondContact O-N 3.38Å; N228-Y230 VanDerWaalsContact O-N 3.11Å; Y230-K234 WeakPolarHBondContact O-CG 3.41Å; Y230-E251 HydrophobicContact CD2-CG 3.67Å; Y230-E251 HydrophobicContact CE2-CG 4.19Å; Y230-N254 HydrophobicContact CE2-CB 4.45Å; Y230-E255 HydrophobicContact CD1-CG 4.04Å; Y230-E255 WeakPolarHBondContact CD1-OE1 3.45Å; Y230-E255 HydrophobicContact CE1-CG 3.25Å; Y230-E255 VanDerWaalsContact CE1-OE1 3.25Å; Y230-E255 WeakPolarHBondContact CE1-OE1 3.44Å; Y230-E255 PolarHBondContact OH-N 3.48Å; Y230-E255 PolarHBondContact OH-O 3.17Å
231C97.5Very high97.9Very high1 Ų116.2 Ų16.21%0.0077%0.073CC..G310 helixtrans-79.9-22.3179.6-71.10000113.5V223 G226 N228 R229 D233V223-C231 HydrophobicContact CG1-CB 4.32Å; V223-C231 WeakPolarHBondContact O-CB 3.43Å; V223-C231 PolarHBondContact O-SG 3.47Å; V223-C231 VanDerWaalsContact O-SG 3.4Å; G226-C231 WeakPolarHBondContact O-CB 3.46Å; N228-C231 HydrophobicContact CB-CB 4.31Å; N228-C231 VanDerWaalsContact O-CB 3.24Å; N228-C231 WeakPolarHBondContact O-CB 3.49Å; N228-C231 PolarHBondContact O-N 2.9Å; R229-C231 VanDerWaalsContact C-N 3.28Å; R229-C231 PolarHBondContact O-N 3.26Å; C231-D233 PolarHBondContact O-N 3.45Å
232I97.3Very high97.9Very high46 Ų4618.5 Ų18.524%0.2369%0.085CC..THydrogen-bonded Turntrans-68.3132.8-172.4-58.6-63.9000110.4T262 I317I232-T262 HydrophobicContact CD1-CG2 4Å; I232-I317 HydrophobicContact CB-CD1 4.09Å; I232-I317 HydrophobicContact CG1-CD1 3.77Å; I232-I317 HydrophobicContact CG1-CG2 4.42Å; I232-I317 HydrophobicContact CG2-CD1 3.92Å
233D97.9Very high97.9Very high38 Ų3819.8 Ų19.820%0.2039%0.09CC..THydrogen-bonded Turntrans60.140.4178.8-66.5-39.3000113.9C231 Y236C231-D233 PolarHBondContact O-N 3.45Å; D233-Y236 VanDerWaalsContact C-OH 3.26Å; D233-Y236 WeakPolarHBondContact CA-OH 3.3Å; D233-Y236 WeakPolarHBondContact CB-OH 3.35Å; D233-Y236 PolarHBondContact O-OH 3.45Å; D233-Y236 PolarHBondContact OD1-OH 2.91Å
234K98.3Very high98Very high54 Ų5419.8 Ų19.824%0.2359%0.09CC..  trans-124.8157.2179.9-58.2-59.8-174.1165.30113.6V223 H224 Y230 T249 E251V223-K234 HydrophobicContact CG1-CB 4.39Å; H224-K234 PolarHBondContact ND1-O 3.4Å; Y230-K234 WeakPolarHBondContact O-CG 3.41Å; K234-T249 WeakPolarHBondContact CA-O 3.17Å; K234-T249 WeakPolarHBondContact CD-O 3.38Å; K234-E251 HydrophobicContact CB-CB 3.81Å; K234-E251 HydrophobicContact CD-CB 3.86Å; K234-E251 HydrophobicContact CG-CB 3.64Å; K234-E251 HydrophobicContact CG-CG 4.24Å; K234-E251 IonicContact NZ-OE2 2.87Å
235N98.7Very high97.9Very high0 Ų023.4 Ų23.40%011%0.105CC..  trans53.662.2167.7-64.6-15.9000114.9H220 H224 I241 D244 T249 F250 E251H220-N235 PolarHBondContact O-ND2 3.33Å; H224-N235 HydrophobicContact CB-CB 4.07Å; H224-N235 PolarHBondContact ND1-O 3.04Å; H224-N235 VanDerWaalsContact ND1-O 3.13Å; N235-I241 HydrophobicContact CB-CD1 4.38Å; N235-D244 VanDerWaalsContact CA-CG 3.46Å; N235-D244 VanDerWaalsContact CA-OD1 3.22Å; N235-D244 WeakPolarHBondContact CA-OD1 3.49Å; N235-D244 PolarHBondContact N-OD1 3.36Å; N235-T249 PolarHBondContact N-O 3.35Å; N235-F250 VanDerWaalsContact OD1-CA 3.32Å; N235-F250 WeakPolarHBondContact OD1-CA 3.3Å; N235-E251 PolarHBondContact ND2-O 2.89Å; N235-E251 PolarHBondContact OD1-N 3.46Å; N235-E251 PolarHBondContact OD1-O 3.16Å
236Y98.8Very high97.9Very high0 Ų028.2 Ų28.20%013%0.13CC..  trans-82.3-9.1-176.7-56.3-65.8000115.1Y129 H132 R133 H136 H224 D233 D244 T249Y129-Y236 HydrophobicContact CE2-CD2 4.19Å; H132-Y236 PolarHBondContact ND1-O 3.35Å; R133-Y236 HydrophobicContact CB-CD1 4.3Å; R133-Y236 HydrophobicContact CB-CD2 3.76Å; R133-Y236 HydrophobicContact CB-CE2 4.06Å; R133-Y236 HydrophobicContact CB-CG 3.85Å; R133-Y236 HydrophobicContact CG-CD2 3.8Å; R133-Y236 HydrophobicContact CG-CE2 3.63Å; R133-Y236 HydrophobicContact CG-CG 4.35Å; H136-Y236 HydrophobicContact CB-CE1 3.62Å; H136-Y236 AromaticContact CD2-CE1 3.97Å; H136-Y236 AromaticContact CG-CE1 3.75Å; H224-Y236 AromaticContact CE1-CD1 3.95Å; D233-Y236 VanDerWaalsContact C-OH 3.26Å; D233-Y236 WeakPolarHBondContact CA-OH 3.3Å; D233-Y236 WeakPolarHBondContact CB-OH 3.35Å; D233-Y236 PolarHBondContact O-OH 3.45Å; D233-Y236 PolarHBondContact OD1-OH 2.91Å; Y236-D244 VanDerWaalsContact N-CG 3.28Å; Y236-D244 PolarHBondContact N-OD1 2.93Å; Y236-D244 PolarHBondContact N-OD2 2.83Å; Y236-D244 VanDerWaalsContact N-OD2 3.08Å; Y236-T249 HydrophobicContact CD2-CG2 4.02Å; Y236-T249 HydrophobicContact CE2-CG2 3.71Å
237A98.6Very high98Very high0 Ų031.3 Ų31.30%014%0.142CC..  trans-56.8145.3-176.200000113.8N216 L240 I241 D244N216-A237 HydrophobicContact CB-CB 4.28Å; N216-A237 PolarHBondContact ND2-O 3.34Å; A237-L240 WeakPolarHBondContact CB-O 3.47Å; A237-I241 HydrophobicContact CB-CD1 4.2Å; A237-D244 WeakPolarHBondContact CB-OD2 3.48Å; A237-D244 PolarHBondContact N-OD2 3.48Å
238G97.9Very high98.1Very high0 Ų033 Ų330%017%0.167CC..SBendtrans-83.4-66.8170.400000110.8Y128 N216Y128-G238 VanDerWaalsContact CD1-CA 3.44Å; Y128-G238 VanDerWaalsContact CE1-CA 3.45Å; N216-G238 PolarHBondContact ND2-O 3.01Å
239V98.6Very high98.1Very high4 Ų433.1 Ų33.12%0.02417%0.168CC..SBendtrans-106.2-47.7-177.6-175.10000112Y21 F121 D125 Y196 L215 N216Y21-V239 HydrophobicContact CD1-CG1 4.49Å; Y21-V239 HydrophobicContact CD1-CG2 3.75Å; Y21-V239 HydrophobicContact CE1-CG2 4.07Å; F121-V239 HydrophobicContact CE2-CB 4.42Å; F121-V239 HydrophobicContact CE2-CG1 4.07Å; F121-V239 HydrophobicContact CZ-CG1 4.26Å; D125-V239 VanDerWaalsContact OD1-CB 3.28Å; D125-V239 WeakPolarHBondContact OD1-CB 3.35Å; D125-V239 WeakPolarHBondContact OD1-CG2 3.36Å; D125-V239 PolarHBondContact OD1-N 3.02Å; Y196-V239 HydrophobicContact CD1-CB 4.04Å; Y196-V239 HydrophobicContact CD1-CG1 4.07Å; Y196-V239 HydrophobicContact CD1-CG2 3.74Å; Y196-V239 HydrophobicContact CD2-CG1 3.96Å; Y196-V239 HydrophobicContact CD2-CG2 4.47Å; Y196-V239 HydrophobicContact CE1-CB 4.22Å; Y196-V239 HydrophobicContact CE1-CG1 4.06Å; Y196-V239 HydrophobicContact CE1-CG2 4.43Å; Y196-V239 HydrophobicContact CE2-CG1 3.91Å; Y196-V239 HydrophobicContact CG-CB 4.31Å; Y196-V239 HydrophobicContact CG-CG1 4.03Å; Y196-V239 HydrophobicContact CG-CG2 3.78Å; L215-V239 CarbonylContact C-O 3.57Å; N216-V239 PolarHBondContact N-O 3.26Å
240L98.7Very high98.3Very high13 Ų1332.3 Ų32.37%0.06817%0.167CC..BIsolated β-bridgetrans-107114.8-174.1-55.2174.9000111.8F121 L122 D125 I214 L215 A237 I242F121-L240 HydrophobicContact CE1-CD1 3.9Å; F121-L240 HydrophobicContact CZ-CD1 3.84Å; F121-L240 HydrophobicContact CZ-CD2 4.1Å; F121-L240 HydrophobicContact CZ-CG 3.99Å; L122-L240 HydrophobicContact CD2-CD1 3.86Å; D125-L240 VanDerWaalsContact OD2-CB 3.29Å; D125-L240 WeakPolarHBondContact OD2-CB 3.27Å; D125-L240 WeakPolarHBondContact OD2-CG 3.46Å; D125-L240 PolarHBondContact OD2-N 3.01Å; D125-L240 VanDerWaalsContact OD2-N 3.07Å; I214-L240 HydrophobicContact CG2-CD2 4.03Å; I214-L240 CarbonylContact O-C 3.6Å; I214-L240 VanDerWaalsContact O-CA 3.26Å; I214-L240 WeakPolarHBondContact O-CA 3.49Å; L215-L240 HydrophobicContact CD2-CD2 4.03Å; A237-L240 WeakPolarHBondContact CB-O 3.47Å; L240-I242 HydrophobicContact CB-CD1 4.12Å; L240-I242 HydrophobicContact CB-CG1 3.86Å; L240-I242 HydrophobicContact CD1-CD1 3.93Å; L240-I242 PolarHBondContact O-N 3.12Å
241I98.7Very high98.4Very high0 Ų032.9 Ų32.90%017%0.171CC..THydrogen-bonded Turntrans-67.6-9.1177.6-159.864.1000113E212 I214 L215 H220 N235 A237 W243 D244 K245 F250E212-I241 WeakPolarHBondContact O-CG2 3.4Å; I214-I241 PolarHBondContact O-N 2.95Å; L215-I241 WeakPolarHBondContact O-CG2 3.4Å; H220-I241 HydrophobicContact CB-CD1 3.96Å; N235-I241 HydrophobicContact CB-CD1 4.38Å; A237-I241 HydrophobicContact CB-CD1 4.2Å; I241-W243 PolarHBondContact O-N 3.32Å; I241-D244 HydrophobicContact CD1-CB 4.13Å; I241-D244 HydrophobicContact CG1-CB 4.5Å; I241-D244 PolarHBondContact O-N 3.05Å; I241-K245 PolarHBondContact O-N 3.32Å; I241-F250 HydrophobicContact CD1-CD2 4.12Å; I241-F250 HydrophobicContact CD1-CE2 4.43Å; I241-F250 HydrophobicContact CG1-CD2 3.64Å; I241-F250 HydrophobicContact CG1-CE2 3.79Å
242I98.6Very high98.4Very high48 Ų4835 Ų3525%0.24619%0.189CC..Hα-helixtrans-57.8-32.1179.271.3-176.6000112I214 L240 K245 I246I214-I242 HydrophobicContact CG2-CG2 4.25Å; L240-I242 HydrophobicContact CB-CD1 4.12Å; L240-I242 HydrophobicContact CB-CG1 3.86Å; L240-I242 HydrophobicContact CD1-CD1 3.93Å; L240-I242 PolarHBondContact O-N 3.12Å; I242-K245 PolarHBondContact O-N 3.02Å; I242-I246 VanDerWaalsContact O-CG1 3.25Å; I242-I246 WeakPolarHBondContact O-CG1 2.91Å; I242-I246 PolarHBondContact O-N 3.32Å
243W98.8Very high98.4Very high34 Ų3435.6 Ų35.613%0.12919%0.191CC..Hα-helixtrans-63.7-44.2179.1-54.6123.8000111.3D125 F126 Y129 I241 K245 I246 F247D125-W243 PolarHBondContact OD2-NE1 3.11Å; F126-W243 HydrophobicContact CB-CH2 4.29Å; F126-W243 HydrophobicContact CB-CZ2 3.97Å; F126-W243 AromaticContact CD2-CD2 3.98Å; F126-W243 HydrophobicContact CD2-CD2 3.98Å; F126-W243 AromaticContact CD2-CE3 3.67Å; F126-W243 HydrophobicContact CD2-CE3 3.67Å; F126-W243 AromaticContact CD2-CH2 3.94Å; F126-W243 HydrophobicContact CD2-CH2 3.94Å; F126-W243 HydrophobicContact CD2-CZ2 4.23Å; F126-W243 AromaticContact CD2-CZ3 3.65Å; F126-W243 HydrophobicContact CD2-CZ3 3.65Å; F126-W243 HydrophobicContact CE2-CE3 4.18Å; F126-W243 HydrophobicContact CE2-CZ3 4.16Å; Y129-W243 HydrophobicContact CD1-CB 4.2Å; Y129-W243 HydrophobicContact CD2-CB 3.43Å; Y129-W243 VanDerWaalsContact CD2-CB 3.43Å; Y129-W243 HydrophobicContact CD2-CG 4.39Å; Y129-W243 HydrophobicContact CE2-CB 3.91Å; Y129-W243 HydrophobicContact CG-CB 3.61Å; Y129-W243 HydrophobicContact CG-CG 4.25Å; I241-W243 PolarHBondContact O-N 3.32Å; W243-K245 VanDerWaalsContact C-N 3.26Å; W243-K245 PolarHBondContact O-N 3.13Å; W243-I246 HydrophobicContact CE3-CD1 4.02Å; W243-I246 HydrophobicContact CZ3-CD1 4.2Å; W243-I246 PolarHBondContact O-N 3.43Å; W243-F247 HydrophobicContact CB-CD2 4.46Å; W243-F247 HydrophobicContact CE3-CE2 4.38Å; W243-F247 WeakPolarHBondContact O-CB 3.16Å; W243-F247 WeakPolarHBondContact O-CD2 3.3Å; W243-F247 PolarHBondContact O-N 3.01Å
244D98.9Very high98Very high0 Ų040.6 Ų40.60%022%0.217CC..Hα-helixtrans-61.2-35.7175.4-76.3-72.6000112.8Y129 N235 Y236 A237 I241 G248 T249 F250Y129-D244 WeakPolarHBondContact CE2-OD1 3.22Å; N235-D244 VanDerWaalsContact CA-CG 3.46Å; N235-D244 VanDerWaalsContact CA-OD1 3.22Å; N235-D244 WeakPolarHBondContact CA-OD1 3.49Å; N235-D244 PolarHBondContact N-OD1 3.36Å; Y236-D244 VanDerWaalsContact N-CG 3.28Å; Y236-D244 PolarHBondContact N-OD1 2.93Å; Y236-D244 PolarHBondContact N-OD2 2.83Å; Y236-D244 VanDerWaalsContact N-OD2 3.08Å; A237-D244 WeakPolarHBondContact CB-OD2 3.48Å; A237-D244 PolarHBondContact N-OD2 3.48Å; I241-D244 HydrophobicContact CD1-CB 4.13Å; I241-D244 HydrophobicContact CG1-CB 4.5Å; I241-D244 PolarHBondContact O-N 3.05Å; D244-G248 CarbonylContact O-C 3.48Å; D244-G248 PolarHBondContact O-N 2.72Å; D244-T249 WeakPolarHBondContact CA-OG1 3.31Å; D244-T249 PolarHBondContact O-N 3.32Å; D244-T249 WeakPolarHBondContact OD1-CB 3.42Å; D244-T249 PolarHBondContact OD1-OG1 3.42Å; D244-F250 HydrophobicContact CB-CB 3.96Å; D244-F250 PolarHBondContact O-N 3.27Å; D244-F250 VanDerWaalsContact O-N 3.12Å
245K98.3Very high97.7Very high80 Ų8042.9 Ų42.935%0.34823%0.229SC..Hα-helixtrans-71.1-40.7176.5-64.3177.9-176.3176.60111.9E212 L213 I241 I242 W243 F250E212-K245 PolarHBondContact O-NZ 2.88Å; E212-K245 VanDerWaalsContact O-NZ 3.15Å; L213-K245 VanDerWaalsContact CA-NZ 3.33Å; L213-K245 PolarHBondContact O-NZ 3.48Å; I241-K245 PolarHBondContact O-N 3.32Å; I242-K245 PolarHBondContact O-N 3.02Å; W243-K245 VanDerWaalsContact C-N 3.26Å; W243-K245 PolarHBondContact O-N 3.13Å; K245-F250 HydrophobicContact CG-CB 3.9Å; K245-F250 HydrophobicContact CG-CD2 4.13Å; K245-F250 HydrophobicContact CG-CG 3.92Å
246I98.5Very high97.5Very high108 Ų10850 Ų5055%0.55426%0.26SS*.Hα-helixtrans-66.4-42.2178.4-70.4164.1000111I242 W243I242-I246 VanDerWaalsContact O-CG1 3.25Å; I242-I246 WeakPolarHBondContact O-CG1 2.91Å; I242-I246 PolarHBondContact O-N 3.32Å; W243-I246 HydrophobicContact CE3-CD1 4.02Å; W243-I246 HydrophobicContact CZ3-CD1 4.2Å; W243-I246 PolarHBondContact O-N 3.43Å
247F98.6Very high97.4Very high71 Ų7150.3 Ų50.331%0.31126%0.262SS..Hα-helixtrans-97.46.1-174.6-66.9-65.7000114.4F126 Y129 W130 W243F126-F247 HydrophobicContact CD2-CE2 4.42Å; F126-F247 AromaticContact CE2-CE2 3.65Å; F126-F247 HydrophobicContact CE2-CE2 3.65Å; F126-F247 AromaticContact CE2-CZ 3.7Å; F126-F247 HydrophobicContact CE2-CZ 3.7Å; F126-F247 HydrophobicContact CZ-CE2 4.49Å; F126-F247 HydrophobicContact CZ-CZ 4.17Å; Y129-F247 AromaticContact CD1-CD2 3.97Å; Y129-F247 HydrophobicContact CD1-CD2 3.97Å; Y129-F247 HydrophobicContact CD1-CE2 4.2Å; Y129-F247 HydrophobicContact CE1-CB 4.12Å; Y129-F247 AromaticContact CE1-CD2 3.32Å; Y129-F247 HydrophobicContact CE1-CD2 3.32Å; Y129-F247 AromaticContact CE1-CE2 3.94Å; Y129-F247 HydrophobicContact CE1-CE2 3.94Å; Y129-F247 AromaticContact CE1-CG 3.89Å; Y129-F247 HydrophobicContact CE1-CG 3.89Å; Y129-F247 AromaticContact CZ-CD2 3.71Å; Y129-F247 WeakPolarHBondContact OH-CB 3.11Å; W130-F247 HydrophobicContact CH2-CE1 4.48Å; W130-F247 HydrophobicContact CZ2-CD1 4.1Å; W130-F247 AromaticContact CZ2-CE1 3.7Å; W130-F247 HydrophobicContact CZ2-CE1 3.7Å; W130-F247 HydrophobicContact CZ2-CE2 4.34Å; W130-F247 AromaticContact CZ2-CZ 3.84Å; W130-F247 HydrophobicContact CZ2-CZ 3.84Å; W243-F247 HydrophobicContact CB-CD2 4.46Å; W243-F247 HydrophobicContact CE3-CE2 4.38Å; W243-F247 WeakPolarHBondContact O-CB 3.16Å; W243-F247 WeakPolarHBondContact O-CD2 3.3Å; W243-F247 PolarHBondContact O-N 3.01Å
248G98.4Very high97.3Very high60 Ų6051 Ų5162%0.61927%0.266SS*.THydrogen-bonded Turntrans72.527.3172.500000114.9D244D244-G248 CarbonylContact O-C 3.48Å; D244-G248 PolarHBondContact O-N 2.72Å
249T98.6Very high97.3Very high8 Ų851.8 Ų51.85%0.04927%0.269CS..  trans-108.83.5178.952.80000112.9Y129 K234 N235 Y236 D244Y129-T249 PolarHBondContact OH-OG1 3.32Å; K234-T249 WeakPolarHBondContact CA-O 3.17Å; K234-T249 WeakPolarHBondContact CD-O 3.38Å; N235-T249 PolarHBondContact N-O 3.35Å; Y236-T249 HydrophobicContact CD2-CG2 4.02Å; Y236-T249 HydrophobicContact CE2-CG2 3.71Å; D244-T249 WeakPolarHBondContact CA-OG1 3.31Å; D244-T249 PolarHBondContact O-N 3.32Å; D244-T249 WeakPolarHBondContact OD1-CB 3.42Å; D244-T249 PolarHBondContact OD1-OG1 3.42Å
250F98.7Very high97.3Very high66 Ų6651.8 Ų51.829%0.28927%0.27SS..  trans-68.9138.2176.4179.3-101.5000112.1H220 N235 I241 D244 K245 A252H220-F250 AromaticContact CD2-CE2 3.63Å; H220-F250 AromaticContact NE2-CE2 3.47Å; H220-F250 WeakPolarHBondContact NE2-CE2 3.46Å; H220-F250 AromaticContact NE2-CZ 3.86Å; N235-F250 VanDerWaalsContact OD1-CA 3.32Å; N235-F250 WeakPolarHBondContact OD1-CA 3.3Å; I241-F250 HydrophobicContact CD1-CD2 4.12Å; I241-F250 HydrophobicContact CD1-CE2 4.43Å; I241-F250 HydrophobicContact CG1-CD2 3.64Å; I241-F250 HydrophobicContact CG1-CE2 3.79Å; D244-F250 HydrophobicContact CB-CB 3.96Å; D244-F250 PolarHBondContact O-N 3.27Å; D244-F250 VanDerWaalsContact O-N 3.12Å; K245-F250 HydrophobicContact CG-CB 3.9Å; K245-F250 HydrophobicContact CG-CD2 4.13Å; K245-F250 HydrophobicContact CG-CG 3.92Å; F250-A252 HydrophobicContact CE1-CB 4.3Å; F250-A252 HydrophobicContact CZ-CB 4.35Å
251E98.2Very high97.2Very high59 Ų5952 Ų5228%0.27627%0.271SS..  trans-144.5135.8170.7-170.959.6-112.900110.3V223 Y230 K234 N235V223-E251 HydrophobicContact CG1-CB 4.01Å; V223-E251 HydrophobicContact CG1-CG 4.08Å; Y230-E251 HydrophobicContact CD2-CG 3.67Å; Y230-E251 HydrophobicContact CE2-CG 4.19Å; K234-E251 HydrophobicContact CB-CB 3.81Å; K234-E251 HydrophobicContact CD-CB 3.86Å; K234-E251 HydrophobicContact CG-CB 3.64Å; K234-E251 HydrophobicContact CG-CG 4.24Å; K234-E251 IonicContact NZ-OE2 2.87Å; N235-E251 PolarHBondContact ND2-O 2.89Å; N235-E251 PolarHBondContact OD1-N 3.46Å; N235-E251 PolarHBondContact OD1-O 3.16Å
252A97.3Very high97.1Very high47 Ų4754.3 Ų54.339%0.38829%0.285SS..  trans-87.9151.6178.900000110.8F250 N254F250-A252 HydrophobicContact CE1-CB 4.3Å; F250-A252 HydrophobicContact CZ-CB 4.35Å; A252-N254 PolarHBondContact O-N 2.89Å
253E97.1Very high96.9Very high57 Ų5758.3 Ų58.327%0.26630%0.303SS..  trans-70.9115.2173.4-168177.7-173.900109.8S219 R222 V223 V257S219-E253 WeakPolarHBondContact CA-OE2 3.4Å; S219-E253 WeakPolarHBondContact CB-OE2 3.49Å; S219-E253 VanDerWaalsContact OG-CB 3.23Å; S219-E253 WeakPolarHBondContact OG-CB 3.47Å; S219-E253 PolarHBondContact OG-OE2 3.39Å; R222-E253 IonicContact CZ-OE1 2.93Å; R222-E253 IonicContact CZ-OE2 3.81Å; R222-E253 VanDerWaalsContact CZ-OE2 3.26Å; R222-E253 VanDerWaalsContact NE-CD 3.34Å; R222-E253 IonicContact NE-OE1 3.64Å; R222-E253 PolarHBondContact NE-OE1 3.01Å; R222-E253 IonicContact NE-OE2 3.35Å; R222-E253 PolarHBondContact NE-OE2 3.23Å; R222-E253 VanDerWaalsContact NE-OE2 3.09Å; R222-E253 IonicContact NH2-OE1 3.46Å; R222-E253 IonicContact NH2-OE2 2.85Å; R222-E253 PolarHBondContact NH2-OE2 3.34Å; V223-E253 HydrophobicContact CG2-CB 3.59Å; V223-E253 HydrophobicContact CG2-CG 4.04Å; E253-V257 HydrophobicContact CG-CG2 4.12Å
254N90.1Very high96.7Very high143 Ų14359.3 Ų59.377%0.76531%0.313SS*.  trans-114.6-43.1-172.6-170.911.8000112.4Y230 A252Y230-N254 HydrophobicContact CE2-CB 4.45Å; A252-N254 PolarHBondContact O-N 2.89Å
255E91.7Very high96.5Very high103 Ų10360.4 Ų60.448%0.48132%0.319SS..SBendtrans-126.5167.4179.560.7174-160.800110.8N228 Y230 V257N228-E255 PolarHBondContact ND2-OE1 3.37Å; Y230-E255 HydrophobicContact CD1-CG 4.04Å; Y230-E255 WeakPolarHBondContact CD1-OE1 3.45Å; Y230-E255 HydrophobicContact CE1-CG 3.25Å; Y230-E255 VanDerWaalsContact CE1-OE1 3.25Å; Y230-E255 WeakPolarHBondContact CE1-OE1 3.44Å; Y230-E255 PolarHBondContact OH-N 3.48Å; Y230-E255 PolarHBondContact OH-O 3.17Å; E255-V257 PolarHBondContact O-N 3.46Å; E255-V257 VanDerWaalsContact O-N 3.07Å
256K93.9Very high96.4Very high149 Ų14960.8 Ų60.865%0.64833%0.325SS*.  trans-54.2119.7177.4-178.2-175.3174.1-167.60110.1N228 G322N228-K256 PolarHBondContact ND2-O 3.23Å; N228-K256 VanDerWaalsContact ND2-O 3.11Å; K256-G322 PolarHBondContact NZ-O 3.38Å
257V96.7Very high96.4Very high6 Ų656.1 Ų56.14%0.03630%0.302CS..  trans-74.9136.2176.9-176.10000110.5R222 N228 E253 E255 Y259R222-V257 HydrophobicContact CB-CG2 4.34Å; R222-V257 WeakPolarHBondContact O-CG1 3.41Å; N228-V257 WeakPolarHBondContact OD1-CA 3.21Å; E253-V257 HydrophobicContact CG-CG2 4.12Å; E255-V257 PolarHBondContact O-N 3.46Å; E255-V257 VanDerWaalsContact O-N 3.07Å; V257-Y259 HydrophobicContact CB-CE1 4.03Å; V257-Y259 HydrophobicContact CG1-CD1 3.82Å; V257-Y259 HydrophobicContact CG1-CE1 3.45Å; V257-Y259 VanDerWaalsContact CG1-CE1 3.45Å
258V97.2Very high96.4Very high15 Ų1553.1 Ų53.19%0.09129%0.288CS..  trans-110.2127.9171.3-176.60000108G226 R227 N228 V320 E324G226-V258 WeakPolarHBondContact CA-O 2.93Å; R227-V258 HydrophobicContact CG-CB 4.47Å; R227-V258 HydrophobicContact CG-CG1 4.39Å; R227-V258 WeakPolarHBondContact CG-O 3.24Å; R227-V258 PolarHBondContact N-O 3.21Å; N228-V258 PolarHBondContact OD1-N 2.68Å; V258-V320 HydrophobicContact CB-CB 4.19Å; V258-V320 HydrophobicContact CB-CG1 4.26Å; V258-V320 HydrophobicContact CB-CG2 4.22Å; V258-V320 HydrophobicContact CG1-CB 4.44Å; V258-V320 HydrophobicContact CG1-CG1 4.21Å; V258-V320 HydrophobicContact CG2-CB 4Å; V258-V320 HydrophobicContact CG2-CG2 4.01Å; V258-E324 HydrophobicContact CG1-CB 4.4Å; V258-E324 HydrophobicContact CG1-CG 4.39Å
259Y97.8Very high96.3Very high17 Ų1750.9 Ų50.97%0.06726%0.262CS..BIsolated β-bridgetrans-99174.5-174.7-47.5-74.4000112.8Y154 E203 R222 H225 V257Y154-Y259 HydrophobicContact CD1-CE1 4.07Å; Y154-Y259 HydrophobicContact CD2-CD1 4.03Å; Y154-Y259 AromaticContact CD2-CE1 3.97Å; Y154-Y259 HydrophobicContact CD2-CE1 3.97Å; Y154-Y259 HydrophobicContact CG-CD1 4.02Å; Y154-Y259 AromaticContact CG-CE1 3.6Å; Y154-Y259 HydrophobicContact CG-CE1 3.6Å; Y154-Y259 HydrophobicContact CG-CE2 4.3Å; Y154-Y259 AromaticContact CG-CZ 3.76Å; E203-Y259 VanDerWaalsContact OE1-CE2 3.27Å; E203-Y259 WeakPolarHBondContact OE1-CE2 3.49Å; E203-Y259 PolarHBondContact OE1-OH 2.96Å; R222-Y259 HydrophobicContact CB-CE1 4.4Å; R222-Y259 WeakPolarHBondContact CD-OH 3.4Å; R222-Y259 HydrophobicContact CG-CE1 4.33Å; R222-Y259 WeakPolarHBondContact CG-OH 3.23Å; H225-Y259 HydrophobicContact CB-CD1 4.08Å; H225-Y259 HydrophobicContact CB-CE1 4.48Å; V257-Y259 HydrophobicContact CB-CE1 4.03Å; V257-Y259 HydrophobicContact CG1-CD1 3.82Å; V257-Y259 HydrophobicContact CG1-CE1 3.45Å; V257-Y259 VanDerWaalsContact CG1-CE1 3.45Å
260G97.7Very high96.2Very high4 Ų450.7 Ų50.74%0.04126%0.261CS..SBendtrans95.5176.9-176.700000112.4H149 S151 R227H149-G260 CarbonylContact O-C 3.3Å; H149-G260 VanDerWaalsContact O-C 3.3Å; H149-G260 VanDerWaalsContact O-CA 3.28Å; H149-G260 WeakPolarHBondContact O-CA 3.35Å; S151-G260 VanDerWaalsContact O-CA 3.27Å; S151-G260 WeakPolarHBondContact O-CA 3.08Å; S151-G260 PolarHBondContact O-N 2.93Å; R227-G260 WeakPolarHBondContact CB-O 3.11Å
261L97.7Very high96.1Very high16 Ų1650.5 Ų50.58%0.08426%0.262CS..  trans-69.3154174.7-54.2-175000111W142 Q146 H149 R227 H263 I265W142-L261 HydrophobicContact CH2-CD2 4.29Å; W142-L261 HydrophobicContact CZ2-CD2 3.87Å; Q146-L261 HydrophobicContact CB-CD2 4.19Å; H149-L261 HydrophobicContact CB-CD2 4.02Å; R227-L261 VanDerWaalsContact CD-O 3.26Å; R227-L261 WeakPolarHBondContact CD-O 3.45Å; R227-L261 PolarHBondContact NH1-O 3.16Å; L261-H263 WeakPolarHBondContact CB-O 3.45Å; L261-H263 PolarHBondContact O-N 2.92Å; L261-I265 HydrophobicContact CD1-CD1 3.88Å; L261-I265 HydrophobicContact CD1-CG1 3.62Å
262T96.2Very high96Very high50 Ų5052 Ų5231%0.30727%0.268SS..SBendtrans-58.2-29.6169.553.40000112.1R227 I232 I317R227-T262 HydrophobicContact CB-CG2 4.18Å; I232-T262 HydrophobicContact CD1-CG2 4Å; T262-I317 HydrophobicContact CG2-CG2 3.79Å
263H94.6Very high96.1Very high132 Ų13249.9 Ų49.961%0.61125%0.25SC*.SBendtrans-121.498.5169.7-59.4-61000109.8L261L261-H263 WeakPolarHBondContact CB-O 3.45Å; L261-H263 PolarHBondContact O-N 2.92Å
264P94.7Very high96.1Very high54 Ų5447.2 Ų47.235%0.35124%0.237SC..  trans-59.2139.1-175.2-2836.3000114.3N266P264-N266 WeakPolarHBondContact CB-OD1 3.32Å
265I95.6Very high96.5Very high24 Ų2444.2 Ų44.212%0.12322%0.218CC..  trans-76.7-27.2179.1-38.6169.8000111.6L261 T267 K272 V273 H276L261-I265 HydrophobicContact CD1-CD1 3.88Å; L261-I265 HydrophobicContact CD1-CG1 3.62Å; I265-T267 HydrophobicContact CB-CG2 4.16Å; I265-T267 HydrophobicContact CG2-CG2 3.53Å; I265-T267 PolarHBondContact O-N 3.16Å; I265-K272 HydrophobicContact CG2-CG 4.22Å; I265-V273 HydrophobicContact CD1-CG1 4.46Å; I265-V273 HydrophobicContact CD1-CG2 4.47Å; I265-H276 WeakPolarHBondContact CD1-CE1 3.4Å; I265-H276 VanDerWaalsContact CG1-CE1 3.43Å; I265-H276 WeakPolarHBondContact CG1-CE1 3.42Å; I265-H276 HydrophobicContact CG2-CB 4.44Å
266N96.1Very high96.7Very high87 Ų8741.3 Ų41.347%0.46520%0.204SC..  trans51.553.6179.9-61.3-35.3000113.3P264 F327P264-N266 WeakPolarHBondContact CB-OD1 3.32Å; N266-F327 VanDerWaalsContact C-CE1 3.41Å; N266-F327 HydrophobicContact CB-CD2 3.92Å; N266-F327 HydrophobicContact CB-CE2 4.07Å; N266-F327 HydrophobicContact CB-CG 4.15Å; N266-F327 HydrophobicContact CB-CZ 4.44Å; N266-F327 WeakPolarHBondContact O-CZ 3.37Å
267T97.6Very high96.9Very high11 Ų1135.4 Ų35.47%0.06718%0.179CC..  trans-160144.8179.4-172.30000111.6I265 E269 K272 V273 D384 R386I265-T267 HydrophobicContact CB-CG2 4.16Å; I265-T267 HydrophobicContact CG2-CG2 3.53Å; I265-T267 PolarHBondContact O-N 3.16Å; T267-E269 VanDerWaalsContact OG1-CB 3.29Å; T267-E269 WeakPolarHBondContact OG1-CB 3.1Å; T267-E269 PolarHBondContact OG1-N 3.29Å; T267-E269 VanDerWaalsContact OG1-N 3.17Å; T267-K272 HydrophobicContact CG2-CB 4.22Å; T267-K272 HydrophobicContact CG2-CD 3.96Å; T267-K272 HydrophobicContact CG2-CG 4.07Å; T267-V273 HydrophobicContact CG2-CG2 3.98Å; T267-D384 WeakPolarHBondContact CA-OD1 3.45Å; T267-D384 PolarHBondContact OG1-OD2 2.99Å; T267-R386 PolarHBondContact OG1-NH2 3.43Å
268F97.8Very high96.9Very high7 Ų737.7 Ų37.73%0.03119%0.191CC..  trans-95.4-1.3170-56.4-66.9000112.5D70 T74 P270 F327 L383 D384D70-F268 HydrophobicContact CB-CD1 3.94Å; D70-F268 HydrophobicContact CB-CD2 4.45Å; D70-F268 HydrophobicContact CB-CE1 3.62Å; D70-F268 HydrophobicContact CB-CE2 4.17Å; D70-F268 HydrophobicContact CB-CG 4.34Å; D70-F268 HydrophobicContact CB-CZ 3.75Å; D70-F268 VanDerWaalsContact CG-CZ 3.49Å; D70-F268 WeakPolarHBondContact OD2-CZ 3.41Å; T74-F268 WeakPolarHBondContact OG1-CA 3.19Å; T74-F268 WeakPolarHBondContact OG1-CB 3.2Å; T74-F268 WeakPolarHBondContact OG1-CD1 3.3Å; T74-F268 PolarHBondContact OG1-O 3.37Å; F268-P270 WeakPolarHBondContact O-CD 3.43Å; F268-F327 AromaticContact CD2-CE1 3.86Å; F268-F327 HydrophobicContact CD2-CE1 3.86Å; F268-F327 HydrophobicContact CE1-CD1 4.26Å; F268-F327 HydrophobicContact CE1-CE1 4.47Å; F268-F327 AromaticContact CE2-CD1 3.81Å; F268-F327 HydrophobicContact CE2-CD1 3.81Å; F268-F327 AromaticContact CE2-CE1 3.34Å; F268-F327 HydrophobicContact CE2-CE1 3.34Å; F268-F327 HydrophobicContact CE2-CZ 4.22Å; F268-F327 AromaticContact CZ-CD1 3.64Å; F268-F327 HydrophobicContact CZ-CD1 3.64Å; F268-F327 AromaticContact CZ-CE1 3.7Å; F268-F327 HydrophobicContact CZ-CE1 3.7Å; F268-F327 VanDerWaalsContact CZ-O 3.28Å; F268-F327 WeakPolarHBondContact CZ-O 3.43Å; F268-L383 HydrophobicContact CB-CB 4.06Å; F268-L383 HydrophobicContact CB-CD1 4.31Å; F268-L383 HydrophobicContact CD2-CB 3.75Å; F268-L383 HydrophobicContact CG-CB 4.11Å; F268-L383 HydrophobicContact CG-CD1 4.49Å; F268-D384 VanDerWaalsContact CD2-OD1 3.25Å; F268-D384 WeakPolarHBondContact CD2-OD1 3.49Å; F268-D384 PolarHBondContact N-OD1 3.4Å
269E96.7Very high96.9Very high14 Ų1443.9 Ų43.97%0.06522%0.216CC..  trans-76.2115.3-176.5-168.1-81.5115.300111.1T267 I271 K272 V273 T377 F381 R386T267-E269 VanDerWaalsContact OG1-CB 3.29Å; T267-E269 WeakPolarHBondContact OG1-CB 3.1Å; T267-E269 PolarHBondContact OG1-N 3.29Å; T267-E269 VanDerWaalsContact OG1-N 3.17Å; E269-I271 PolarHBondContact O-N 2.63Å; E269-I271 WeakPolarHBondContact OE1-CA 3.23Å; E269-I271 WeakPolarHBondContact OE1-CB 3.32Å; E269-I271 WeakPolarHBondContact OE1-CG1 3.5Å; E269-I271 PolarHBondContact OE1-N 2.72Å; E269-K272 PolarHBondContact O-N 3.37Å; E269-K272 WeakPolarHBondContact OE2-CB 3.1Å; E269-K272 PolarHBondContact OE2-N 2.79Å; E269-V273 WeakPolarHBondContact O-CG2 3.38Å; E269-V273 PolarHBondContact O-N 3.23Å; E269-T377 HydrophobicContact CG-CG2 4.41Å; E269-F381 HydrophobicContact CB-CD2 4.45Å; E269-F381 HydrophobicContact CG-CD2 3.51Å; E269-F381 HydrophobicContact CG-CE2 3.42Å; E269-F381 VanDerWaalsContact CG-CE2 3.42Å; E269-R386 IonicContact OE2-NH1 3.35Å; E269-R386 IonicContact OE2-NH2 2.71Å
270P96.4Very high96.9Very high3 Ų345.4 Ų45.42%0.01923%0.229CC..Hα-helixtrans-70.9-30.3-162.129.2-38.1000114L81 F268 V273 Q274 L376L81-P270 HydrophobicContact CD1-CB 3.61Å; L81-P270 HydrophobicContact CD1-CG 4.22Å; F268-P270 WeakPolarHBondContact O-CD 3.43Å; P270-V273 PolarHBondContact O-N 2.98Å; P270-Q274 WeakPolarHBondContact O-CB 3.42Å; P270-Q274 WeakPolarHBondContact O-CG 3.19Å; P270-Q274 PolarHBondContact O-N 3.18Å; P270-L376 HydrophobicContact CG-CB 3.99Å
271I96.8Very high96.9Very high62 Ų6245.7 Ų45.732%0.31823%0.23SC..Hα-helixtrans-66.6-46.5177.2-54.1-60.4000109.8E269 V273 Q274 F275 I373E269-I271 PolarHBondContact O-N 2.63Å; E269-I271 WeakPolarHBondContact OE1-CA 3.23Å; E269-I271 WeakPolarHBondContact OE1-CB 3.32Å; E269-I271 WeakPolarHBondContact OE1-CG1 3.5Å; E269-I271 PolarHBondContact OE1-N 2.72Å; I271-V273 VanDerWaalsContact C-N 3.34Å; I271-V273 PolarHBondContact O-N 3.08Å; I271-Q274 PolarHBondContact O-N 2.96Å; I271-F275 HydrophobicContact CG2-CD2 3.72Å; I271-F275 HydrophobicContact CG2-CE2 4.17Å; I271-F275 VanDerWaalsContact O-CD2 3.23Å; I271-F275 WeakPolarHBondContact O-CD2 3.38Å; I271-F275 PolarHBondContact O-N 3.37Å; I271-I373 HydrophobicContact CD1-CG2 4.11Å
272K97.3Very high96.9Very high91 Ų9152.3 Ų52.340%0.39625%0.254SS..Hα-helixtrans-62.8-41.1174-174.7172.9173.9-161.30111.6I265 T267 E269 Q274 F275 H276I265-K272 HydrophobicContact CG2-CG 4.22Å; T267-K272 HydrophobicContact CG2-CB 4.22Å; T267-K272 HydrophobicContact CG2-CD 3.96Å; T267-K272 HydrophobicContact CG2-CG 4.07Å; E269-K272 PolarHBondContact O-N 3.37Å; E269-K272 WeakPolarHBondContact OE2-CB 3.1Å; E269-K272 PolarHBondContact OE2-N 2.79Å; K272-Q274 VanDerWaalsContact C-N 3.27Å; K272-Q274 PolarHBondContact O-N 3.44Å; K272-F275 PolarHBondContact O-N 2.91Å; K272-H276 HydrophobicContact CG-CB 4.1Å; K272-H276 WeakPolarHBondContact O-CB 3.43Å; K272-H276 PolarHBondContact O-N 2.96Å; K272-H276 PolarHBondContact O-ND1 3.09Å
273V97.9Very high97Very high2 Ų252.7 Ų52.71%0.01226%0.257CS..Hα-helixtrans-57.3-41.2175171.70000111.5T74 Q146 T147 I265 T267 E269 P270 I271T74-V273 HydrophobicContact CG2-CG2 4.18Å; Q146-V273 PolarHBondContact NE2-O 2.91Å; T147-V273 HydrophobicContact CG2-CG1 3.71Å; T147-V273 PolarHBondContact OG1-O 2.93Å; I265-V273 HydrophobicContact CD1-CG1 4.46Å; I265-V273 HydrophobicContact CD1-CG2 4.47Å; T267-V273 HydrophobicContact CG2-CG2 3.98Å; E269-V273 WeakPolarHBondContact O-CG2 3.38Å; E269-V273 PolarHBondContact O-N 3.23Å; P270-V273 PolarHBondContact O-N 2.98Å; I271-V273 VanDerWaalsContact C-N 3.34Å; I271-V273 PolarHBondContact O-N 3.08Å
274Q98Very high97.1Very high1 Ų149.1 Ų49.11%0.00524%0.244CC..Hα-helixtrans-73.2-41.5-179.4-68.2-75.8-2400113.3L81 Q162 S163 P270 I271 K272L81-Q274 HydrophobicContact CD1-CG 4.39Å; Q162-Q274 PolarHBondContact O-NE2 3.02Å; S163-Q274 PolarHBondContact OG-OE1 2.78Å; P270-Q274 WeakPolarHBondContact O-CB 3.42Å; P270-Q274 WeakPolarHBondContact O-CG 3.19Å; P270-Q274 PolarHBondContact O-N 3.18Å; I271-Q274 PolarHBondContact O-N 2.96Å; K272-Q274 VanDerWaalsContact C-N 3.27Å; K272-Q274 PolarHBondContact O-N 3.44Å
275F97.7Very high97.3Very high80 Ų8048.4 Ų48.435%0.35124%0.236SC..Hα-helixtrans-114.7-6.1-164.6-59.9-72.2000115.7L165 I271 K272 H277 L278 F279L165-F275 HydrophobicContact CD1-CD1 4.22Å; L165-F275 HydrophobicContact CD1-CE1 4.12Å; L165-F275 HydrophobicContact CD2-CE1 4.21Å; L165-F275 HydrophobicContact CG-CE1 4.25Å; I271-F275 HydrophobicContact CG2-CD2 3.72Å; I271-F275 HydrophobicContact CG2-CE2 4.17Å; I271-F275 VanDerWaalsContact O-CD2 3.23Å; I271-F275 WeakPolarHBondContact O-CD2 3.38Å; I271-F275 PolarHBondContact O-N 3.37Å; K272-F275 PolarHBondContact O-N 2.91Å; F275-H277 PolarHBondContact O-N 3.15Å; F275-L278 HydrophobicContact CD1-CD1 4.12Å; F275-L278 PolarHBondContact O-N 3.22Å; F275-F279 PolarHBondContact O-N 3.45Å
276H96.9Very high97.4Very high43 Ų4354.4 Ų54.420%0.19926%0.257CS..Hα-helixtrans-59.4-35.5-175.377.3-79.6000113.1Q146 I265 K272 F279 S280Q146-H276 PolarHBondContact NE2-CE1 3.31Å; Q146-H276 PolarHBondContact OE1-CE1 3.27Å; I265-H276 WeakPolarHBondContact CD1-CE1 3.4Å; I265-H276 VanDerWaalsContact CG1-CE1 3.43Å; I265-H276 WeakPolarHBondContact CG1-CE1 3.42Å; I265-H276 HydrophobicContact CG2-CB 4.44Å; K272-H276 HydrophobicContact CG-CB 4.1Å; K272-H276 WeakPolarHBondContact O-CB 3.43Å; K272-H276 PolarHBondContact O-N 2.96Å; K272-H276 PolarHBondContact O-ND1 3.09Å; H276-F279 WeakPolarHBondContact O-CB 3.35Å; H276-F279 PolarHBondContact O-N 2.87Å; H276-S280 PolarHBondContact O-N 3.35Å
277H97.6Very high97.4Very high24 Ų2454.2 Ų54.211%0.11127%0.267CS..Hα-helixtrans-72.1-34-177.5-162.371.5000111.9N139 W142 A143 Q146 F275 F279 S280 I281N139-H277 PolarHBondContact OD1-NE2 2.92Å; W142-H277 AromaticContact CD1-CD2 3.71Å; W142-H277 AromaticContact CD1-CE1 3.72Å; W142-H277 AromaticContact CD1-NE2 3.36Å; W142-H277 AromaticContact NE1-CE1 3.94Å; A143-H277 HydrophobicContact CB-CB 4.41Å; Q146-H277 HydrophobicContact CG-CB 3.86Å; F275-H277 PolarHBondContact O-N 3.15Å; H277-F279 VanDerWaalsContact C-N 3.28Å; H277-F279 PolarHBondContact O-N 3.29Å; H277-S280 WeakPolarHBondContact O-CA 3.38Å; H277-S280 WeakPolarHBondContact O-CB 3.09Å; H277-S280 PolarHBondContact O-N 3.36Å; H277-S280 VanDerWaalsContact O-N 3.11Å; H277-I281 WeakPolarHBondContact O-CG1 3.36Å; H277-I281 PolarHBondContact O-N 3.37Å
278L97.6Very high97.4Very high55 Ų5554.4 Ų54.429%0.28827%0.268SS..Hα-helixtrans-61.1-39.3170-77.5179.3000111.9I140 A143 L165 F275 S280 I281 W282I140-L278 HydrophobicContact CD1-CD2 3.47Å; I140-L278 VanDerWaalsContact CD1-CD2 3.47Å; A143-L278 HydrophobicContact CB-CD2 3.56Å; A143-L278 HydrophobicContact CB-CG 3.81Å; L165-L278 HydrophobicContact CD1-CD1 3.44Å; L165-L278 VanDerWaalsContact CD1-CD1 3.44Å; L165-L278 HydrophobicContact CD1-CG 4.24Å; F275-L278 HydrophobicContact CD1-CD1 4.12Å; F275-L278 PolarHBondContact O-N 3.22Å; L278-S280 VanDerWaalsContact C-N 3.33Å; L278-I281 PolarHBondContact O-N 3.49Å; L278-W282 WeakPolarHBondContact O-CB 3.18Å; L278-W282 PolarHBondContact O-N 2.73Å
279F97.2Very high97.3Very high144 Ų14458.5 Ų58.563%0.63230%0.296SS*.Hα-helixtrans-63.9-40173.5-176.5-96.8000111.6F275 H276 H277 W282 T283F275-F279 PolarHBondContact O-N 3.45Å; H276-F279 WeakPolarHBondContact O-CB 3.35Å; H276-F279 PolarHBondContact O-N 2.87Å; H277-F279 VanDerWaalsContact C-N 3.28Å; H277-F279 PolarHBondContact O-N 3.29Å; F279-W282 WeakPolarHBondContact O-CB 3.31Å; F279-W282 PolarHBondContact O-N 2.87Å; F279-T283 HydrophobicContact CD1-CG2 4.04Å; F279-T283 HydrophobicContact CE1-CG2 3.57Å; F279-T283 HydrophobicContact CE2-CG2 4.21Å; F279-T283 HydrophobicContact CZ-CG2 3.67Å; F279-T283 WeakPolarHBondContact O-CG2 3.17Å; F279-T283 PolarHBondContact O-N 3.37Å; F279-T283 PolarHBondContact O-OG1 3.41Å; F279-T283 VanDerWaalsContact O-OG1 3.13Å
280S96.7Very high97.2Very high49 Ų4960 Ų6034%0.34331%0.314SS..Hα-helixtrans-61.7-41.8174.3-172.60000112.8H276 H277 L278 T283 T284H276-S280 PolarHBondContact O-N 3.35Å; H277-S280 WeakPolarHBondContact O-CA 3.38Å; H277-S280 WeakPolarHBondContact O-CB 3.09Å; H277-S280 PolarHBondContact O-N 3.36Å; H277-S280 VanDerWaalsContact O-N 3.11Å; L278-S280 VanDerWaalsContact C-N 3.33Å; S280-T283 PolarHBondContact O-OG1 3.2Å; S280-T284 WeakPolarHBondContact O-CB 3.35Å; S280-T284 PolarHBondContact O-N 3.2Å; S280-T284 PolarHBondContact O-OG1 3.22Å
281I98Very high97.2Very high11 Ų1166.6 Ų66.66%0.05634%0.343CS..Hα-helixtrans-62.1-46.7173.7-68.5172.6000109.9N139 I140 A143 H277 L278 T284 F285 V297 I298N139-I281 HydrophobicContact CB-CD1 4.34Å; N139-I281 WeakPolarHBondContact O-CD1 3.46Å; I140-I281 HydrophobicContact CD1-CD1 4.27Å; A143-I281 HydrophobicContact CB-CD1 3.88Å; H277-I281 WeakPolarHBondContact O-CG1 3.36Å; H277-I281 PolarHBondContact O-N 3.37Å; L278-I281 PolarHBondContact O-N 3.49Å; I281-T284 PolarHBondContact O-N 2.85Å; I281-F285 WeakPolarHBondContact O-CB 3.27Å; I281-F285 PolarHBondContact O-N 2.95Å; I281-V297 HydrophobicContact CG2-CG1 4.34Å; I281-I298 HydrophobicContact CG2-CG1 4.45Å
282W98Very high97.1Very high154 Ų15471.5 Ų71.558%0.58336%0.362SS*.Hα-helixtrans-60.5-49.2-179.8178.5-97.5000112.2L278 F279 F285 W286L278-W282 WeakPolarHBondContact O-CB 3.18Å; L278-W282 PolarHBondContact O-N 2.73Å; F279-W282 WeakPolarHBondContact O-CB 3.31Å; F279-W282 PolarHBondContact O-N 2.87Å; W282-F285 PolarHBondContact O-N 2.95Å; W282-W286 AromaticContact CD1-CD1 3.98Å; W282-W286 AromaticContact CD2-CD1 3.81Å; W282-W286 AromaticContact CD2-NE1 3.51Å; W282-W286 AromaticContact CE2-CD1 3.52Å; W282-W286 AromaticContact CE2-NE1 3.11Å; W282-W286 AromaticContact CE3-NE1 3.75Å; W282-W286 AromaticContact CH2-CE2 3.99Å; W282-W286 HydrophobicContact CH2-CZ2 4.01Å; W282-W286 AromaticContact CH2-NE1 3.34Å; W282-W286 VanDerWaalsContact CH2-NE1 3.34Å; W282-W286 AromaticContact CZ2-CD1 3.9Å; W282-W286 AromaticContact CZ2-CE2 3.93Å; W282-W286 HydrophobicContact CZ2-CZ2 4.29Å; W282-W286 AromaticContact CZ2-NE1 3.04Å; W282-W286 AromaticContact CZ3-NE1 3.68Å; W282-W286 AromaticContact NE1-CD1 3.61Å; W282-W286 AromaticContact NE1-NE1 3.68Å; W282-W286 PolarHBondContact O-N 3.33Å
283T97.8Very high97.1Very high59 Ų5969.6 Ų69.636%0.36236%0.356SS..Hα-helixtrans-64.3-45.2178.953.60000111.4F279 S280 F285 W286 A287F279-T283 HydrophobicContact CD1-CG2 4.04Å; F279-T283 HydrophobicContact CE1-CG2 3.57Å; F279-T283 HydrophobicContact CE2-CG2 4.21Å; F279-T283 HydrophobicContact CZ-CG2 3.67Å; F279-T283 WeakPolarHBondContact O-CG2 3.17Å; F279-T283 PolarHBondContact O-N 3.37Å; F279-T283 PolarHBondContact O-OG1 3.41Å; F279-T283 VanDerWaalsContact O-OG1 3.13Å; S280-T283 PolarHBondContact O-OG1 3.2Å; T283-F285 VanDerWaalsContact C-N 3.34Å; T283-F285 PolarHBondContact O-N 3.41Å; T283-W286 PolarHBondContact O-N 2.95Å; T283-A287 WeakPolarHBondContact O-CB 3.48Å; T283-A287 PolarHBondContact O-N 3.11Å
284T97.3Very high97.1Very high56 Ų5671.5 Ų71.534%0.34436%0.364SS..Hα-helixtrans-62.8-40.2177.6-56.90000111.5S280 I281 W286 A287 T288 V297S280-T284 WeakPolarHBondContact O-CB 3.35Å; S280-T284 PolarHBondContact O-N 3.2Å; S280-T284 PolarHBondContact O-OG1 3.22Å; I281-T284 PolarHBondContact O-N 2.85Å; T284-W286 PolarHBondContact O-N 3.22Å; T284-A287 PolarHBondContact O-N 2.99Å; T284-T288 VanDerWaalsContact O-CB 3.25Å; T284-T288 WeakPolarHBondContact O-CB 3.15Å; T284-T288 PolarHBondContact O-N 3.47Å; T284-T288 PolarHBondContact O-OG1 3.36Å; T284-V297 HydrophobicContact CG2-CG1 3.75Å; T284-V297 HydrophobicContact CG2-CG2 3.97Å
285F97.9Very high97.1Very high40 Ų4075.7 Ų75.718%0.17538%0.383CS..Hα-helixtrans-58.3-47176.8176-85.5000111.2I281 W282 T283 K294 V297 I298I281-F285 WeakPolarHBondContact O-CB 3.27Å; I281-F285 PolarHBondContact O-N 2.95Å; W282-F285 PolarHBondContact O-N 2.95Å; T283-F285 VanDerWaalsContact C-N 3.34Å; T283-F285 PolarHBondContact O-N 3.41Å; F285-K294 HydrophobicContact CD2-CB 3.83Å; F285-K294 VanDerWaalsContact CD2-O 3.25Å; F285-K294 WeakPolarHBondContact CD2-O 3.25Å; F285-K294 HydrophobicContact CE1-CD 4.07Å; F285-K294 HydrophobicContact CE2-CB 3.51Å; F285-K294 HydrophobicContact CE2-CD 4.5Å; F285-K294 HydrophobicContact CE2-CG 4.39Å; F285-K294 HydrophobicContact CG-CB 4.49Å; F285-K294 HydrophobicContact CZ-CB 3.88Å; F285-K294 HydrophobicContact CZ-CD 4.05Å; F285-K294 HydrophobicContact CZ-CG 4.42Å; F285-K294 WeakPolarHBondContact O-CG 3.5Å; F285-K294 PolarHBondContact O-NZ 3.22Å; F285-V297 HydrophobicContact CB-CG1 4.38Å; F285-I298 HydrophobicContact CD2-CD1 3.8Å; F285-I298 HydrophobicContact CD2-CG1 4.02Å; F285-I298 HydrophobicContact CE2-CD1 3.71Å; F285-I298 HydrophobicContact CE2-CG1 4.4Å
286W97.4Very high97.1Very high150 Ų15072.7 Ų72.757%0.56837%0.372SS*.Hα-helixtrans-71.2-37.7-179.5-72.8111.5000112.8W282 T283 T284 K294W282-W286 AromaticContact CD1-CD1 3.98Å; W282-W286 AromaticContact CD2-CD1 3.81Å; W282-W286 AromaticContact CD2-NE1 3.51Å; W282-W286 AromaticContact CE2-CD1 3.52Å; W282-W286 AromaticContact CE2-NE1 3.11Å; W282-W286 AromaticContact CE3-NE1 3.75Å; W282-W286 AromaticContact CH2-CE2 3.99Å; W282-W286 HydrophobicContact CH2-CZ2 4.01Å; W282-W286 AromaticContact CH2-NE1 3.34Å; W282-W286 VanDerWaalsContact CH2-NE1 3.34Å; W282-W286 AromaticContact CZ2-CD1 3.9Å; W282-W286 AromaticContact CZ2-CE2 3.93Å; W282-W286 HydrophobicContact CZ2-CZ2 4.29Å; W282-W286 AromaticContact CZ2-NE1 3.04Å; W282-W286 AromaticContact CZ3-NE1 3.68Å; W282-W286 AromaticContact NE1-CD1 3.61Å; W282-W286 AromaticContact NE1-NE1 3.68Å; W282-W286 PolarHBondContact O-N 3.33Å; T283-W286 PolarHBondContact O-N 2.95Å; T284-W286 PolarHBondContact O-N 3.22Å; W286-K294 PolarHBondContact O-NZ 3.13Å; W286-K294 VanDerWaalsContact O-NZ 3.12Å
287A97.1Very high97.1Very high83 Ų8370.9 Ų70.969%0.68636%0.364SS*.Hα-helixtrans-71.4-27177.300000113.8T283 T284 P289T283-A287 WeakPolarHBondContact O-CB 3.48Å; T283-A287 PolarHBondContact O-N 3.11Å; T284-A287 PolarHBondContact O-N 2.99Å; A287-P289 WeakPolarHBondContact O-CD 3.44Å
288T97.1Very high97.1Very high14 Ų1471.6 Ų71.69%0.08637%0.368CS..SBendtrans-75.2123.3-175.8-62.70000111.4T284 N293 K294 V297 P306T284-T288 VanDerWaalsContact O-CB 3.25Å; T284-T288 WeakPolarHBondContact O-CB 3.15Å; T284-T288 PolarHBondContact O-N 3.47Å; T284-T288 PolarHBondContact O-OG1 3.36Å; T288-N293 HydrophobicContact CG2-CB 3.55Å; T288-K294 WeakPolarHBondContact O-CE 3.21Å; T288-K294 PolarHBondContact O-NZ 2.75Å; T288-V297 HydrophobicContact CG2-CG2 4.09Å; T288-V297 WeakPolarHBondContact OG1-CG2 3.42Å; T288-P306 HydrophobicContact CG2-CG 4Å
289P95.3Very high97.1Very high94 Ų9474.7 Ų74.761%0.6138%0.38SS*.  trans-78.4146.3178.331.4-34.4000112.1A287 N293A287-P289 WeakPolarHBondContact O-CD 3.44Å; P289-N293 VanDerWaalsContact O-CB 3.28Å; P289-N293 WeakPolarHBondContact O-CB 3.39Å; P289-N293 PolarHBondContact O-ND2 2.97Å
290G96Very high97.2Very high44 Ų4471.1 Ų71.145%0.45436%0.364SS..SBendtrans91.3133176.600000113.8F292 N293 K294G290-F292 PolarHBondContact O-N 2.82Å; G290-N293 PolarHBondContact O-N 3.3Å; G290-K294 WeakPolarHBondContact O-CG 3.27Å; G290-K294 PolarHBondContact O-N 3.36Å; G290-K294 VanDerWaalsContact O-N 3.13Å
291F95.3Very high97.2Very high143 Ų14368.9 Ų68.963%0.62735%0.348SS*.Hα-helixtrans-57.1-49.4-174.8-177.8-104000113N293 K294 F295F291-N293 VanDerWaalsContact C-N 3.35Å; F291-N293 PolarHBondContact O-N 3.38Å; F291-K294 WeakPolarHBondContact O-CB 3.39Å; F291-K294 PolarHBondContact O-N 3.03Å; F291-F295 HydrophobicContact CD1-CD2 4.43Å; F291-F295 HydrophobicContact CD1-CE2 4.01Å; F291-F295 HydrophobicContact CD2-CE2 4.17Å; F291-F295 HydrophobicContact CE1-CD2 4.28Å; F291-F295 AromaticContact CE1-CE2 3.55Å; F291-F295 HydrophobicContact CE1-CE2 3.55Å; F291-F295 HydrophobicContact CE1-CZ 4.42Å; F291-F295 AromaticContact CE2-CE2 3.72Å; F291-F295 HydrophobicContact CE2-CE2 3.72Å; F291-F295 HydrophobicContact CE2-CZ 4.28Å; F291-F295 HydrophobicContact CG-CE2 4.32Å; F291-F295 AromaticContact CZ-CE2 3.41Å; F291-F295 HydrophobicContact CZ-CE2 3.41Å; F291-F295 VanDerWaalsContact CZ-CE2 3.41Å; F291-F295 AromaticContact CZ-CZ 3.94Å; F291-F295 HydrophobicContact CZ-CZ 3.94Å; F291-F295 VanDerWaalsContact O-CD2 3.3Å; F291-F295 WeakPolarHBondContact O-CD2 3.4Å
292F96.1Very high97.2Very high164 Ų16471 Ų7172%0.71936%0.363SS*.Hα-helixtrans-68.9-30.6179.4-67.3-71000113.8G290 K294 F295 S296G290-F292 PolarHBondContact O-N 2.82Å; F292-K294 VanDerWaalsContact C-N 3.31Å; F292-F295 PolarHBondContact O-N 3.13Å; F292-S296 PolarHBondContact O-N 3.01Å; F292-S296 PolarHBondContact O-OG 2.89Å; F292-S296 VanDerWaalsContact O-OG 3.08Å
293N97.1Very high97Very high51 Ų5165.2 Ų65.227%0.27335%0.351SS..Hα-helixtrans-67.6-35.6175.8-72.4-21.7000111.1T288 P289 G290 F291 F295 S296 V297 W304T288-N293 HydrophobicContact CG2-CB 3.55Å; P289-N293 VanDerWaalsContact O-CB 3.28Å; P289-N293 WeakPolarHBondContact O-CB 3.39Å; P289-N293 PolarHBondContact O-ND2 2.97Å; G290-N293 PolarHBondContact O-N 3.3Å; F291-N293 VanDerWaalsContact C-N 3.35Å; F291-N293 PolarHBondContact O-N 3.38Å; N293-F295 PolarHBondContact O-N 3.22Å; N293-S296 WeakPolarHBondContact O-CA 3.27Å; N293-S296 VanDerWaalsContact O-CB 3.3Å; N293-S296 WeakPolarHBondContact O-CB 3.28Å; N293-S296 PolarHBondContact O-N 2.92Å; N293-V297 PolarHBondContact O-N 2.92Å; N293-W304 HydrophobicContact CB-CH2 3.8Å; N293-W304 WeakPolarHBondContact O-CZ3 3.3Å
294K97.2Very high97Very high42 Ų4263.6 Ų63.618%0.18334%0.338CS..Hα-helixtrans-58.9-44.2174.8-70.2-173.9-179.4-63.20112.2F285 W286 T288 G290 F291 F292 S296 V297F285-K294 HydrophobicContact CD2-CB 3.83Å; F285-K294 VanDerWaalsContact CD2-O 3.25Å; F285-K294 WeakPolarHBondContact CD2-O 3.25Å; F285-K294 HydrophobicContact CE1-CD 4.07Å; F285-K294 HydrophobicContact CE2-CB 3.51Å; F285-K294 HydrophobicContact CE2-CD 4.5Å; F285-K294 HydrophobicContact CE2-CG 4.39Å; F285-K294 HydrophobicContact CG-CB 4.49Å; F285-K294 HydrophobicContact CZ-CB 3.88Å; F285-K294 HydrophobicContact CZ-CD 4.05Å; F285-K294 HydrophobicContact CZ-CG 4.42Å; F285-K294 WeakPolarHBondContact O-CG 3.5Å; F285-K294 PolarHBondContact O-NZ 3.22Å; W286-K294 PolarHBondContact O-NZ 3.13Å; W286-K294 VanDerWaalsContact O-NZ 3.12Å; T288-K294 WeakPolarHBondContact O-CE 3.21Å; T288-K294 PolarHBondContact O-NZ 2.75Å; G290-K294 WeakPolarHBondContact O-CG 3.27Å; G290-K294 PolarHBondContact O-N 3.36Å; G290-K294 VanDerWaalsContact O-N 3.13Å; F291-K294 WeakPolarHBondContact O-CB 3.39Å; F291-K294 PolarHBondContact O-N 3.03Å; F292-K294 VanDerWaalsContact C-N 3.31Å; K294-S296 VanDerWaalsContact C-N 3.31Å; K294-S296 PolarHBondContact O-N 3.26Å; K294-V297 WeakPolarHBondContact O-CB 3.43Å; K294-V297 PolarHBondContact O-N 3.4Å
295F97.3Very high96.9Very high89 Ų8961.4 Ų61.439%0.3933%0.327SS..Hα-helixtrans-66.6-33.5172.8-69.4-78.3000112.9F291 F292 N293 V297 I298 F299F291-F295 HydrophobicContact CD1-CD2 4.43Å; F291-F295 HydrophobicContact CD1-CE2 4.01Å; F291-F295 HydrophobicContact CD2-CE2 4.17Å; F291-F295 HydrophobicContact CE1-CD2 4.28Å; F291-F295 AromaticContact CE1-CE2 3.55Å; F291-F295 HydrophobicContact CE1-CE2 3.55Å; F291-F295 HydrophobicContact CE1-CZ 4.42Å; F291-F295 AromaticContact CE2-CE2 3.72Å; F291-F295 HydrophobicContact CE2-CE2 3.72Å; F291-F295 HydrophobicContact CE2-CZ 4.28Å; F291-F295 HydrophobicContact CG-CE2 4.32Å; F291-F295 AromaticContact CZ-CE2 3.41Å; F291-F295 HydrophobicContact CZ-CE2 3.41Å; F291-F295 VanDerWaalsContact CZ-CE2 3.41Å; F291-F295 AromaticContact CZ-CZ 3.94Å; F291-F295 HydrophobicContact CZ-CZ 3.94Å; F291-F295 VanDerWaalsContact O-CD2 3.3Å; F291-F295 WeakPolarHBondContact O-CD2 3.4Å; F292-F295 PolarHBondContact O-N 3.13Å; N293-F295 PolarHBondContact O-N 3.22Å; F295-V297 VanDerWaalsContact C-N 3.28Å; F295-V297 PolarHBondContact O-N 2.75Å; F295-I298 PolarHBondContact O-N 2.82Å; F295-F299 HydrophobicContact CB-CD2 4.38Å; F295-F299 HydrophobicContact CD1-CE2 4.15Å; F295-F299 WeakPolarHBondContact O-CD2 3.41Å; F295-F299 PolarHBondContact O-N 2.9Å
296S98Very high96.8Very high18 Ų1863 Ų6313%0.12634%0.341CS..Hα-helixtrans-63.7-32.9175.9-65.80000112.3F292 N293 K294 I298 K300 W304F292-S296 PolarHBondContact O-N 3.01Å; F292-S296 PolarHBondContact O-OG 2.89Å; F292-S296 VanDerWaalsContact O-OG 3.08Å; N293-S296 WeakPolarHBondContact O-CA 3.27Å; N293-S296 VanDerWaalsContact O-CB 3.3Å; N293-S296 WeakPolarHBondContact O-CB 3.28Å; N293-S296 PolarHBondContact O-N 2.92Å; K294-S296 VanDerWaalsContact C-N 3.31Å; K294-S296 PolarHBondContact O-N 3.26Å; S296-I298 PolarHBondContact O-N 3.39Å; S296-K300 VanDerWaalsContact O-CB 3.24Å; S296-K300 WeakPolarHBondContact O-CB 3.46Å; S296-K300 PolarHBondContact O-N 2.99Å; S296-K300 WeakPolarHBondContact OG-CE 3.46Å; S296-W304 VanDerWaalsContact CB-CZ2 3.46Å
297V98Very high96.7Very high5 Ų560.1 Ų60.13%0.0336%0.358CS..Hα-helixtrans-59.1-34.4171.6177.30000111.7N139 I281 T284 F285 T288 N293 K294 F295 W304N139-V297 VanDerWaalsContact CB-O 3.31Å; N139-V297 WeakPolarHBondContact CB-O 3.23Å; N139-V297 PolarHBondContact ND2-O 3.11Å; I281-V297 HydrophobicContact CG2-CG1 4.34Å; T284-V297 HydrophobicContact CG2-CG1 3.75Å; T284-V297 HydrophobicContact CG2-CG2 3.97Å; F285-V297 HydrophobicContact CB-CG1 4.38Å; T288-V297 HydrophobicContact CG2-CG2 4.09Å; T288-V297 WeakPolarHBondContact OG1-CG2 3.42Å; N293-V297 PolarHBondContact O-N 2.92Å; K294-V297 WeakPolarHBondContact O-CB 3.43Å; K294-V297 PolarHBondContact O-N 3.4Å; F295-V297 VanDerWaalsContact C-N 3.28Å; F295-V297 PolarHBondContact O-N 2.75Å; V297-W304 HydrophobicContact CG2-CE3 4.33Å; V297-W304 HydrophobicContact CG2-CZ3 3.88Å
298I97.9Very high96.6Very high38 Ų3859.3 Ų59.320%0.19534%0.339CS..Hα-helixtrans-82-44.9-177.5-59.3174.5000111I140 I281 F285 F295 S296I140-I298 HydrophobicContact CB-CG2 3.88Å; I140-I298 HydrophobicContact CG1-CG2 4.39Å; I140-I298 HydrophobicContact CG2-CG2 4Å; I140-I298 PolarHBondContact N-O 3.15Å; I281-I298 HydrophobicContact CG2-CG1 4.45Å; F285-I298 HydrophobicContact CD2-CD1 3.8Å; F285-I298 HydrophobicContact CD2-CG1 4.02Å; F285-I298 HydrophobicContact CE2-CD1 3.71Å; F285-I298 HydrophobicContact CE2-CG1 4.4Å; F295-I298 PolarHBondContact O-N 2.82Å; S296-I298 PolarHBondContact O-N 3.39Å
299F97.8Very high96.6Very high121 Ų12162.1 Ų62.153%0.53136%0.358SS..Hα-helixtrans-107-10.8-164.6-65.1-64.5000115.8F295F295-F299 HydrophobicContact CB-CD2 4.38Å; F295-F299 HydrophobicContact CD1-CE2 4.15Å; F295-F299 WeakPolarHBondContact O-CD2 3.41Å; F295-F299 PolarHBondContact O-N 2.9Å
300K98.1Very high96.7Very high68 Ų6863.3 Ų63.330%0.29635%0.35SS..SBendtrans-92.2-177.3170.6-63.3-171.8-178172.20110.5E137 N139 S296 W304 R310E137-K300 CarbonylContact O-C 3.59Å; N139-K300 WeakPolarHBondContact CB-O 3.33Å; N139-K300 PolarHBondContact N-O 3.24Å; S296-K300 VanDerWaalsContact O-CB 3.24Å; S296-K300 WeakPolarHBondContact O-CB 3.46Å; S296-K300 PolarHBondContact O-N 2.99Å; S296-K300 WeakPolarHBondContact OG-CE 3.46Å; K300-W304 HydrophobicContact CB-CB 3.78Å; K300-W304 HydrophobicContact CB-CD2 4.24Å; K300-W304 HydrophobicContact CB-CG 3.69Å; K300-W304 HydrophobicContact CD-CD2 3.78Å; K300-W304 HydrophobicContact CD-CG 3.6Å; K300-W304 HydrophobicContact CD-CZ2 4.47Å; K300-W304 HydrophobicContact CG-CG 4.3Å; K300-R310 HydrophobicContact CB-CG 4.39Å; K300-R310 HydrophobicContact CG-CG 4.37Å
301G97.6Very high96.8Very high2 Ų264.1 Ų64.12%0.02134%0.344CS..  trans-69.7161.6-177.100000113.1E137 G303 W304 R310E137-G301 VanDerWaalsContact O-CA 3.27Å; E137-G301 WeakPolarHBondContact O-CA 3.47Å; E137-G301 PolarHBondContact O-N 3.34Å; G301-G303 PolarHBondContact O-N 2.94Å; G301-W304 WeakPolarHBondContact O-CB 3.42Å; G301-W304 PolarHBondContact O-N 2.94Å; G301-R310 PolarHBondContact N-O 3.03Å
302P96.3Very high96.8Very high56 Ų5657.9 Ų57.936%0.36432%0.32SS..THydrogen-bonded Turntrans-61-24.4-178.723.9-33.4000114H136 W142H136-P302 WeakPolarHBondContact O-CD 3.37Å; W142-P302 HydrophobicContact CG-CB 4.48Å; W142-P302 HydrophobicContact CG-CG 4.3Å
303G95.3Very high96.8Very high32 Ų3253.2 Ų53.233%0.3330%0.302SS..THydrogen-bonded Turntrans-84.30.4174.100000115.2G301 G312G301-G303 PolarHBondContact O-N 2.94Å; G303-G312 WeakPolarHBondContact O-CA 3.26Å
304W97.4Very high96.6Very high25 Ų2553.6 Ų53.610%0.09531%0.309CS..  trans-72144.6-175.4-177.679000113N293 S296 V297 K300 G301 P306 K308 P309N293-W304 HydrophobicContact CB-CH2 3.8Å; N293-W304 WeakPolarHBondContact O-CZ3 3.3Å; S296-W304 VanDerWaalsContact CB-CZ2 3.46Å; V297-W304 HydrophobicContact CG2-CE3 4.33Å; V297-W304 HydrophobicContact CG2-CZ3 3.88Å; K300-W304 HydrophobicContact CB-CB 3.78Å; K300-W304 HydrophobicContact CB-CD2 4.24Å; K300-W304 HydrophobicContact CB-CG 3.69Å; K300-W304 HydrophobicContact CD-CD2 3.78Å; K300-W304 HydrophobicContact CD-CG 3.6Å; K300-W304 HydrophobicContact CD-CZ2 4.47Å; K300-W304 HydrophobicContact CG-CG 4.3Å; G301-W304 WeakPolarHBondContact O-CB 3.42Å; G301-W304 PolarHBondContact O-N 2.94Å; W304-P306 HydrophobicContact CH2-CG 4.23Å; W304-K308 PolarHBondContact NE1-O 2.83Å; W304-P309 VanDerWaalsContact CD1-O 3.3Å
305G95.6Very high96.4Very high11 Ų1158.1 Ų58.111%0.11333%0.33CS..  trans-152.2169.8166.300000111.3G307 K308G305-G307 PolarHBondContact O-N 3.33Å; G305-K308 WeakPolarHBondContact O-CB 3.48Å; G305-K308 PolarHBondContact O-N 3.33Å
306P95.5Very high96.3Very high72 Ų7258.5 Ų58.547%0.46833%0.333SS..THydrogen-bonded Turntrans-52.6125.8178-26.935.4000112.1T288 W304 K308T288-P306 HydrophobicContact CG2-CG 4Å; W304-P306 HydrophobicContact CH2-CG 4.23Å; P306-K308 VanDerWaalsContact C-N 3.33Å
307G94.3Very high96.2Very high90 Ų9059 Ų5993%0.92833%0.334SS*.THydrogen-bonded Turntrans85.1-8.5-177.100000115.8G305G305-G307 PolarHBondContact O-N 3.33Å
308K96.1Very high96Very high67 Ų6761.5 Ų61.529%0.29135%0.35SS..SBendtrans-90.7155.2179.2-59.5-177.1-179.8-179.50112.8W304 G305 P306 L313 E316W304-K308 PolarHBondContact NE1-O 2.83Å; G305-K308 WeakPolarHBondContact O-CB 3.48Å; G305-K308 PolarHBondContact O-N 3.33Å; P306-K308 VanDerWaalsContact C-N 3.33Å; K308-L313 HydrophobicContact CG-CD1 4.45Å; K308-E316 WeakPolarHBondContact CE-OE1 3.41Å; K308-E316 WeakPolarHBondContact CE-OE2 3.29Å; K308-E316 IonicContact NZ-OE1 2.71Å; K308-E316 PolarHBondContact NZ-OE1 3.04Å; K308-E316 IonicContact NZ-OE2 3.72Å; K308-E316 PolarHBondContact NZ-OE2 3.05Å
309P96.9Very high95.8Very high72 Ų7266.4 Ų66.447%0.46837%0.373SS..  trans-57.5161.3170.1-21.933.5000112.4W304 L311 G312 L313W304-P309 VanDerWaalsContact CD1-O 3.3Å; P309-L311 PolarHBondContact O-N 3.07Å; P309-L311 VanDerWaalsContact O-N 3.1Å; P309-G312 PolarHBondContact O-N 3.47Å; P309-L313 HydrophobicContact CG-CD2 3.88Å
310R97.3Very high95.6Very high120 Ų12062.1 Ų62.145%0.45336%0.357SS..THydrogen-bonded Turntrans-49.1-41.3-174.6176.3-175.4159.6137.7-2.7113.9E137 K300 G301E137-R310 IonicContact OE2-NH2 2.66Å; K300-R310 HydrophobicContact CB-CG 4.39Å; K300-R310 HydrophobicContact CG-CG 4.37Å; G301-R310 PolarHBondContact N-O 3.03Å
311L96.9Very high95.3Very high61 Ų6163.8 Ų63.832%0.31937%0.372SS..THydrogen-bonded Turntrans-98.15.9-177-58.2-179.6000113.1E137 P309E137-L311 HydrophobicContact CB-CD2 3.74Å; E137-L311 HydrophobicContact CG-CD1 4.16Å; E137-L311 HydrophobicContact CG-CD2 3.79Å; P309-L311 PolarHBondContact O-N 3.07Å; P309-L311 VanDerWaalsContact O-N 3.1Å
312G96.2Very high94.9Very high12 Ų1264.6 Ų64.612%0.12438%0.381CS..  trans87-162.6-171.700000112.6G303 P309G303-G312 WeakPolarHBondContact O-CA 3.26Å; P309-G312 PolarHBondContact O-N 3.47Å
313L95.7Very high94.7Very high66 Ų6670.5 Ų70.535%0.34640%0.401SS..  trans-114.7128.2-179.8-69.1172.8000108.7K308 P309 E315 E316K308-L313 HydrophobicContact CG-CD1 4.45Å; P309-L313 HydrophobicContact CG-CD2 3.88Å; L313-E315 WeakPolarHBondContact CB-OE2 3.28Å; L313-E315 PolarHBondContact O-N 3Å; L313-E316 HydrophobicContact CB-CG 3.96Å; L313-E316 HydrophobicContact CD1-CG 4.49Å; L313-E316 PolarHBondContact O-N 2.66Å; L313-E316 VanDerWaalsContact O-N 3.16Å
314S92.4Very high94.7Very high59 Ų5971.8 Ų71.841%0.41340%0.398SS..G310 helixtrans-64.4-29.1-178-173.30000111.7R229 E316 I317R229-S314 PolarHBondContact NE-O 3.09Å; S314-E316 PolarHBondContact O-N 2.88Å; S314-I317 WeakPolarHBondContact O-CB 3.49Å; S314-I317 PolarHBondContact O-N 2.79Å; S314-I317 VanDerWaalsContact O-N 3.15Å
315E94Very high94.5Very high137 Ų13776.8 Ų76.864%0.6443%0.432SS*.G310 helixtrans-67-23.3179.2-54.677.6-168.200112.6R229 L313 I317R229-E315 PolarHBondContact NH2-O 3.41Å; R229-E315 VanDerWaalsContact NH2-O 3.13Å; L313-E315 WeakPolarHBondContact CB-OE2 3.28Å; L313-E315 PolarHBondContact O-N 3Å; E315-I317 VanDerWaalsContact C-N 3.31Å
316E94.9Very high94.5Very high96 Ų9678.4 Ų78.445%0.44944%0.44SS..G310 helixtrans-81.5-13.2177.3-65.5-176.8159.400112.9K308 L313 S314K308-E316 WeakPolarHBondContact CE-OE1 3.41Å; K308-E316 WeakPolarHBondContact CE-OE2 3.29Å; K308-E316 IonicContact NZ-OE1 2.71Å; K308-E316 PolarHBondContact NZ-OE1 3.04Å; K308-E316 IonicContact NZ-OE2 3.72Å; K308-E316 PolarHBondContact NZ-OE2 3.05Å; L313-E316 HydrophobicContact CB-CG 3.96Å; L313-E316 HydrophobicContact CD1-CG 4.49Å; L313-E316 PolarHBondContact O-N 2.66Å; L313-E316 VanDerWaalsContact O-N 3.16Å; S314-E316 PolarHBondContact O-N 2.88Å
317I95.1Very high94.5Very high29 Ų2978.2 Ų78.215%0.14943%0.432CS..SBendtrans-71.1126.2175.9-56.6179.7000107.7R229 I232 T262 S314 E315 E319R229-I317 HydrophobicContact CG-CB 4.12Å; R229-I317 HydrophobicContact CG-CG2 4.16Å; R229-I317 PolarHBondContact NE-O 3.36Å; R229-I317 PolarHBondContact NH2-O 3.47Å; I232-I317 HydrophobicContact CB-CD1 4.09Å; I232-I317 HydrophobicContact CG1-CD1 3.77Å; I232-I317 HydrophobicContact CG1-CG2 4.42Å; I232-I317 HydrophobicContact CG2-CD1 3.92Å; T262-I317 HydrophobicContact CG2-CG2 3.79Å; S314-I317 WeakPolarHBondContact O-CB 3.49Å; S314-I317 PolarHBondContact O-N 2.79Å; S314-I317 VanDerWaalsContact O-N 3.15Å; E315-I317 VanDerWaalsContact C-N 3.31Å; I317-E319 PolarHBondContact O-N 2.63Å
318P94.5Very high94.6Very high57 Ų5777.1 Ų77.137%0.3741%0.41SS..PPolyproline II helixtrans-54.9133.8-180-26.935.5000111.9
319E93.6Very high94.6Very high141 Ų14174.2 Ų74.266%0.65940%0.398SS*.PPolyproline II helixtrans-67.3140.3172.8-69.3-172.6174.600110.4R229 I317R229-E319 IonicContact CZ-OE1 3.59Å; R229-E319 IonicContact NH1-OE1 3.47Å; R229-E319 PolarHBondContact NH1-OE1 2.81Å; R229-E319 VanDerWaalsContact NH2-CG 3.28Å; R229-E319 IonicContact NH2-OE1 3.49Å; I317-E319 PolarHBondContact O-N 2.63Å
320V94.6Very high94.5Very high32 Ų3275.6 Ų75.619%0.19441%0.409CS..  trans-108.7144.4171.5-64.20000109.5R227 N228 V258 E324R227-V320 HydrophobicContact CG-CG1 3.87Å; N228-V320 HydrophobicContact CB-CG2 3.99Å; V258-V320 HydrophobicContact CB-CB 4.19Å; V258-V320 HydrophobicContact CB-CG1 4.26Å; V258-V320 HydrophobicContact CB-CG2 4.22Å; V258-V320 HydrophobicContact CG1-CB 4.44Å; V258-V320 HydrophobicContact CG1-CG1 4.21Å; V258-V320 HydrophobicContact CG2-CB 4Å; V258-V320 HydrophobicContact CG2-CG2 4.01Å; V320-E324 WeakPolarHBondContact CA-OE1 3.27Å
321T91.9Very high94.4Very high102 Ų10270.3 Ų70.363%0.62639%0.391SS*.  trans-108-9.5-17564.20000112.5K323 E324T321-K323 PolarHBondContact O-N 3.11Å; T321-K323 PolarHBondContact OG1-N 2.83Å; T321-E324 PolarHBondContact N-OE1 2.81Å; T321-E324 PolarHBondContact OG1-OE1 3.3Å
322G89.5Confident94.4Very high20 Ų2070.8 Ų70.821%0.20640%0.399CS..SBendtrans75.93.4-172.700000114K256 E324K256-G322 PolarHBondContact NZ-O 3.38Å; G322-E324 VanDerWaalsContact CA-OE2 3.3Å; G322-E324 WeakPolarHBondContact CA-OE2 3.29Å; G322-E324 PolarHBondContact N-OE2 3.2Å
323K92.2Very high94.4Very high180 Ų18076.3 Ų76.378%0.78342%0.422SS*.  trans-111.65.5180-60.6-179.3-178.2174.80112.9T321 V325T321-K323 PolarHBondContact O-N 3.11Å; T321-K323 PolarHBondContact OG1-N 2.83Å; K323-V325 PolarHBondContact O-N 3.05Å
324E93.4Very high94.4Very high58 Ų5879.7 Ų79.727%0.27144%0.439SS..  trans-56.9137.6175.6-65.766.5-144.800109.5V258 V320 T321 G322 P326V258-E324 HydrophobicContact CG1-CB 4.4Å; V258-E324 HydrophobicContact CG1-CG 4.39Å; V320-E324 WeakPolarHBondContact CA-OE1 3.27Å; T321-E324 PolarHBondContact N-OE1 2.81Å; T321-E324 PolarHBondContact OG1-OE1 3.3Å; G322-E324 VanDerWaalsContact CA-OE2 3.3Å; G322-E324 WeakPolarHBondContact CA-OE2 3.29Å; G322-E324 PolarHBondContact N-OE2 3.2Å; E324-P326 WeakPolarHBondContact O-CD 3.16Å
325V93.7Very high94.6Very high131 Ų13177.6 Ų77.679%0.79442%0.423SS*.  trans-97.2115.8175.4-179.60000107.8K323K323-V325 PolarHBondContact O-N 3.05Å
326P95.5Very high94.8Very high44 Ų4473 Ų7329%0.28640%0.401SS..  trans-59.2139.9177.5-2939.2000112.6R68 E152 E324 S328R68-P326 PolarHBondContact NH1-O 2.91Å; E152-P326 HydrophobicContact CB-CB 3.89Å; E152-P326 HydrophobicContact CB-CG 4.45Å; E152-P326 VanDerWaalsContact OE2-CA 3.27Å; E152-P326 WeakPolarHBondContact OE2-CA 3.39Å; E324-P326 WeakPolarHBondContact O-CD 3.16Å; P326-S328 PolarHBondContact O-N 3.43Å; P326-S328 VanDerWaalsContact O-N 3.07Å
327F96.4Very high94.9Very high69 Ų6972.6 Ų72.630%0.30340%0.402SS..  trans-61106.2178.8175.2-101.7000111.5R68 E152 N266 F268R68-F327 PolarHBondContact NH1-O 2.81Å; E152-F327 PolarHBondContact OE2-N 3.09Å; N266-F327 VanDerWaalsContact C-CE1 3.41Å; N266-F327 HydrophobicContact CB-CD2 3.92Å; N266-F327 HydrophobicContact CB-CE2 4.07Å; N266-F327 HydrophobicContact CB-CG 4.15Å; N266-F327 HydrophobicContact CB-CZ 4.44Å; N266-F327 WeakPolarHBondContact O-CZ 3.37Å; F268-F327 AromaticContact CD2-CE1 3.86Å; F268-F327 HydrophobicContact CD2-CE1 3.86Å; F268-F327 HydrophobicContact CE1-CD1 4.26Å; F268-F327 HydrophobicContact CE1-CE1 4.47Å; F268-F327 AromaticContact CE2-CD1 3.81Å; F268-F327 HydrophobicContact CE2-CD1 3.81Å; F268-F327 AromaticContact CE2-CE1 3.34Å; F268-F327 HydrophobicContact CE2-CE1 3.34Å; F268-F327 HydrophobicContact CE2-CZ 4.22Å; F268-F327 AromaticContact CZ-CD1 3.64Å; F268-F327 HydrophobicContact CZ-CD1 3.64Å; F268-F327 AromaticContact CZ-CE1 3.7Å; F268-F327 HydrophobicContact CZ-CE1 3.7Å; F268-F327 VanDerWaalsContact CZ-O 3.28Å; F268-F327 WeakPolarHBondContact CZ-O 3.43Å
328S96.5Very high95Very high66 Ų6673.3 Ų73.346%0.46240%0.403SS..  trans-113.9147.1-178.468.20000112.4P326 S330P326-S328 PolarHBondContact O-N 3.43Å; P326-S328 VanDerWaalsContact O-N 3.07Å; S328-S330 PolarHBondContact O-N 3.3Å
329S96.1Very high95.2Very high7 Ų770.6 Ų70.65%0.04939%0.385CS..  trans-62.8126.4174.5178.90000111.9D70 S331 K336 L383D70-S329 VanDerWaalsContact OD2-CB 3.26Å; D70-S329 WeakPolarHBondContact OD2-CB 3.48Å; D70-S329 PolarHBondContact OD2-N 3Å; S329-S331 PolarHBondContact O-N 3.15Å; S329-S331 VanDerWaalsContact OG-CB 3.24Å; S329-S331 WeakPolarHBondContact OG-CB 3.44Å; S329-S331 PolarHBondContact OG-N 2.97Å; S329-S331 VanDerWaalsContact OG-N 3.14Å; S329-S331 PolarHBondContact OG-OG 3.28Å; S329-K336 PolarHBondContact O-NZ 3.22Å; S329-L383 VanDerWaalsContact CB-O 3.27Å; S329-L383 WeakPolarHBondContact CB-O 3.4Å; S329-L383 PolarHBondContact OG-O 3.43Å
330S95.2Very high95.3Very high101 Ų10166.5 Ų66.571%0.70637%0.369SS*.  trans-78.77.2170.262.60000113.4S328S328-S330 PolarHBondContact O-N 3.3Å
331S94.7Very high95.4Very high9 Ų969 Ų696%0.06338%0.384CS..  trans-62.5147.3177.360.60000112.7S329 K336S329-S331 PolarHBondContact O-N 3.15Å; S329-S331 VanDerWaalsContact OG-CB 3.24Å; S329-S331 WeakPolarHBondContact OG-CB 3.44Å; S329-S331 PolarHBondContact OG-N 2.97Å; S329-S331 VanDerWaalsContact OG-N 3.14Å; S329-S331 PolarHBondContact OG-OG 3.28Å; S331-K336 WeakPolarHBondContact O-CE 3.48Å; S331-K336 WeakPolarHBondContact OG-CE 3.23Å; S331-K336 VanDerWaalsContact OG-CG 3.23Å; S331-K336 WeakPolarHBondContact OG-CG 3.34Å
332S96.3Very high95.7Very high71 Ų7164.5 Ų64.550%0.49736%0.356SS..  trans-64.6154.3175.868.20000110.8L334 L335 K336S332-L334 PolarHBondContact O-N 3.3Å; S332-L335 PolarHBondContact O-N 2.9Å; S332-L335 PolarHBondContact OG-N 3.38Å; S332-K336 PolarHBondContact O-N 2.82Å
333Q95.7Very high96.1Very high128 Ų12864 Ų6460%0.59835%0.349SS*.Hα-helixtrans-56.9-36.6179.1-170.560.123.600112.4L335 K336 I337Q333-L335 VanDerWaalsContact C-N 3.35Å; Q333-L335 PolarHBondContact O-N 2.98Å; Q333-K336 PolarHBondContact O-N 2.96Å; Q333-I337 HydrophobicContact CG-CD1 4.29Å; Q333-I337 WeakPolarHBondContact O-CG1 3.2Å; Q333-I337 PolarHBondContact O-N 3.2Å
334L96.5Very high96.2Very high136 Ų13658 Ų5871%0.71233%0.332SS*.Hα-helixtrans-64.6-39.1176.4-173.265.4000112S332 I337 Y338S332-L334 PolarHBondContact O-N 3.3Å; L334-I337 PolarHBondContact O-N 3.3Å; L334-Y338 WeakPolarHBondContact O-CB 3.44Å; L334-Y338 PolarHBondContact O-N 2.6Å
335L97Very high96.3Very high15 Ų1556.2 Ų56.28%0.07933%0.325CS..Hα-helixtrans-68.5-37.9176.4-174.556.8000111.2S332 Q333 Y338 T339 L382 W431S332-L335 PolarHBondContact O-N 2.9Å; S332-L335 PolarHBondContact OG-N 3.38Å; Q333-L335 VanDerWaalsContact C-N 3.35Å; Q333-L335 PolarHBondContact O-N 2.98Å; L335-Y338 HydrophobicContact CD1-CD1 4.08Å; L335-Y338 WeakPolarHBondContact O-CB 3.43Å; L335-Y338 PolarHBondContact O-N 2.99Å; L335-T339 WeakPolarHBondContact O-CG2 3.19Å; L335-T339 PolarHBondContact O-N 3.02Å; L335-T339 PolarHBondContact O-OG1 3.07Å; L335-L382 HydrophobicContact CD1-CB 4.43Å; L335-L382 HydrophobicContact CD1-CD1 4.42Å; L335-L382 HydrophobicContact CD1-CD2 4.25Å; L335-L382 HydrophobicContact CD2-CB 4.48Å; L335-W431 HydrophobicContact CD1-CH2 3.86Å; L335-W431 HydrophobicContact CD1-CZ2 4.05Å
336K96.9Very high96.4Very high40 Ų4050 Ų5017%0.17429%0.287CS..Hα-helixtrans-60.5-46.6172.8-66.8-176.1-178.6-177.50111.5L69 S329 S331 S332 Q333 Y338 T339 V340 L383L69-K336 HydrophobicContact CD2-CB 4.1Å; S329-K336 PolarHBondContact O-NZ 3.22Å; S331-K336 WeakPolarHBondContact O-CE 3.48Å; S331-K336 WeakPolarHBondContact OG-CE 3.23Å; S331-K336 VanDerWaalsContact OG-CG 3.23Å; S331-K336 WeakPolarHBondContact OG-CG 3.34Å; S332-K336 PolarHBondContact O-N 2.82Å; Q333-K336 PolarHBondContact O-N 2.96Å; K336-Y338 VanDerWaalsContact C-N 3.33Å; K336-Y338 PolarHBondContact O-N 3.09Å; K336-T339 WeakPolarHBondContact CA-OG1 3.04Å; K336-T339 PolarHBondContact O-N 2.61Å; K336-T339 PolarHBondContact O-OG1 2.9Å; K336-V340 WeakPolarHBondContact O-CG2 3.49Å; K336-V340 PolarHBondContact O-N 2.96Å; K336-L383 HydrophobicContact CG-CD2 4.43Å
337I97.3Very high96.3Very high89 Ų8950.3 Ų50.346%0.45629%0.286SS..Hα-helixtrans-59.1-45.9174.7-67.8165.3000110.7Q333 L334 T339 V340 V341Q333-I337 HydrophobicContact CG-CD1 4.29Å; Q333-I337 WeakPolarHBondContact O-CG1 3.2Å; Q333-I337 PolarHBondContact O-N 3.2Å; L334-I337 PolarHBondContact O-N 3.3Å; I337-T339 VanDerWaalsContact C-N 3.34Å; I337-T339 PolarHBondContact O-N 3.33Å; I337-V340 PolarHBondContact O-N 2.87Å; I337-V341 HydrophobicContact CG2-CG2 4.45Å; I337-V341 WeakPolarHBondContact O-CG2 3.4Å; I337-V341 PolarHBondContact O-N 2.85Å
338Y97.7Very high96.2Very high43 Ų4348.6 Ų48.617%0.16929%0.285CS..Hα-helixtrans-56.1-47.3176.1176.3-100.2000112L334 L335 K336 V340 V341 Q342 L382 E393 W431L334-Y338 WeakPolarHBondContact O-CB 3.44Å; L334-Y338 PolarHBondContact O-N 2.6Å; L335-Y338 HydrophobicContact CD1-CD1 4.08Å; L335-Y338 WeakPolarHBondContact O-CB 3.43Å; L335-Y338 PolarHBondContact O-N 2.99Å; K336-Y338 VanDerWaalsContact C-N 3.33Å; K336-Y338 PolarHBondContact O-N 3.09Å; Y338-V340 VanDerWaalsContact C-N 3.34Å; Y338-V340 PolarHBondContact O-N 2.84Å; Y338-V341 PolarHBondContact O-N 3.3Å; Y338-Q342 HydrophobicContact CD1-CG 4.31Å; Y338-Q342 HydrophobicContact CD2-CG 4.33Å; Y338-Q342 HydrophobicContact CE1-CG 3.91Å; Y338-Q342 HydrophobicContact CE2-CG 3.93Å; Y338-Q342 WeakPolarHBondContact O-CG 3.42Å; Y338-Q342 PolarHBondContact O-N 3.26Å; Y338-L382 HydrophobicContact CD1-CD1 4.24Å; Y338-L382 HydrophobicContact CE1-CD1 3.99Å; Y338-E393 HydrophobicContact CE1-CG 4.35Å; Y338-E393 WeakPolarHBondContact CE1-OE1 3.32Å; Y338-E393 PolarHBondContact OH-OE1 3.36Å; Y338-W431 HydrophobicContact CD1-CZ2 4.23Å; Y338-W431 AromaticContact CE1-CZ2 3.86Å; Y338-W431 HydrophobicContact CE1-CZ2 3.86Å; Y338-W431 AromaticContact CE1-NE1 3.77Å; Y338-W431 AromaticContact CZ-NE1 3.47Å; Y338-W431 PolarHBondContact OH-NE1 2.89Å
339T97.7Very high96Very high0 Ų045.5 Ų45.50%026%0.263CS..Hα-helixtrans-62.6-39.1178.653.20000112.5L335 K336 I337 Q342 F343 I379 L382 L383L335-T339 WeakPolarHBondContact O-CG2 3.19Å; L335-T339 PolarHBondContact O-N 3.02Å; L335-T339 PolarHBondContact O-OG1 3.07Å; K336-T339 WeakPolarHBondContact CA-OG1 3.04Å; K336-T339 PolarHBondContact O-N 2.61Å; K336-T339 PolarHBondContact O-OG1 2.9Å; I337-T339 VanDerWaalsContact C-N 3.34Å; I337-T339 PolarHBondContact O-N 3.33Å; T339-Q342 PolarHBondContact O-N 3.26Å; T339-F343 WeakPolarHBondContact O-CB 3.37Å; T339-F343 PolarHBondContact O-N 2.93Å; T339-I379 HydrophobicContact CG2-CG1 4.5Å; T339-I379 HydrophobicContact CG2-CG2 4.2Å; T339-L382 HydrophobicContact CG2-CB 4.08Å; T339-L382 HydrophobicContact CG2-CD1 4.12Å; T339-L383 HydrophobicContact CG2-CD2 4.2Å; T339-L383 HydrophobicContact CG2-CG 4.36Å
340V97.5Very high96Very high55 Ų5546.3 Ų46.333%0.33327%0.265SS..Hα-helixtrans-64.1-44.2176.4172.10000111.4L69 L73 K336 I337 Y338 F343 A344L69-V340 HydrophobicContact CD1-CG2 3.8Å; L69-V340 HydrophobicContact CD2-CG2 3.76Å; L69-V340 HydrophobicContact CG-CG2 4.14Å; L73-V340 HydrophobicContact CD1-CG2 4.06Å; K336-V340 WeakPolarHBondContact O-CG2 3.49Å; K336-V340 PolarHBondContact O-N 2.96Å; I337-V340 PolarHBondContact O-N 2.87Å; Y338-V340 VanDerWaalsContact C-N 3.34Å; Y338-V340 PolarHBondContact O-N 2.84Å; V340-F343 PolarHBondContact O-N 3.1Å; V340-A344 WeakPolarHBondContact O-CB 3.43Å; V340-A344 PolarHBondContact O-N 2.97Å
341V96.9Very high95.8Very high84 Ų8445.9 Ų45.951%0.50925%0.252SS..Hα-helixtrans-63.6-45.9178.7172.20000111I337 Y338 F343 A344 L345I337-V341 HydrophobicContact CG2-CG2 4.45Å; I337-V341 WeakPolarHBondContact O-CG2 3.4Å; I337-V341 PolarHBondContact O-N 2.85Å; Y338-V341 PolarHBondContact O-N 3.3Å; V341-F343 VanDerWaalsContact C-N 3.31Å; V341-F343 PolarHBondContact O-N 3.13Å; V341-A344 PolarHBondContact O-N 3.19Å; V341-L345 WeakPolarHBondContact O-CB 3.29Å; V341-L345 PolarHBondContact O-N 3.31Å
342Q96.8Very high95.6Very high8 Ų847 Ų474%0.03726%0.256CS..Hα-helixtrans-65.7-35.6177.4-65.6-60.1-40.900112.1Y338 T339 M346 R396Y338-Q342 HydrophobicContact CD1-CG 4.31Å; Y338-Q342 HydrophobicContact CD2-CG 4.33Å; Y338-Q342 HydrophobicContact CE1-CG 3.91Å; Y338-Q342 HydrophobicContact CE2-CG 3.93Å; Y338-Q342 WeakPolarHBondContact O-CG 3.42Å; Y338-Q342 PolarHBondContact O-N 3.26Å; T339-Q342 PolarHBondContact O-N 3.26Å; Q342-M346 WeakPolarHBondContact O-CB 3.43Å; Q342-M346 PolarHBondContact O-N 3.39Å; Q342-R396 VanDerWaalsContact OE1-CZ 3.3Å
343F97.4Very high95.5Very high10 Ų1043.6 Ų43.64%0.04423%0.233CC..Hα-helixtrans-65-48.3174.9-171.6-99.5000112.1L73 I76 S77 T339 V340 V341 L345 M346 L347 L376 I379L73-F343 HydrophobicContact CD2-CB 3.98Å; L73-F343 HydrophobicContact CD2-CD1 3.57Å; L73-F343 HydrophobicContact CD2-CD2 4.05Å; L73-F343 HydrophobicContact CD2-CE1 3.98Å; L73-F343 HydrophobicContact CD2-CE2 4.44Å; L73-F343 HydrophobicContact CD2-CG 3.59Å; L73-F343 HydrophobicContact CD2-CZ 4.41Å; I76-F343 HydrophobicContact CB-CE1 4.21Å; I76-F343 HydrophobicContact CB-CZ 3.82Å; I76-F343 HydrophobicContact CG2-CE1 3.86Å; I76-F343 HydrophobicContact CG2-CZ 3.6Å; S77-F343 WeakPolarHBondContact OG-CE2 3.31Å; T339-F343 WeakPolarHBondContact O-CB 3.37Å; T339-F343 PolarHBondContact O-N 2.93Å; V340-F343 PolarHBondContact O-N 3.1Å; V341-F343 VanDerWaalsContact C-N 3.31Å; V341-F343 PolarHBondContact O-N 3.13Å; F343-L345 VanDerWaalsContact C-N 3.3Å; F343-L345 PolarHBondContact O-N 2.91Å; F343-M346 HydrophobicContact CD2-CE 3.81Å; F343-M346 HydrophobicContact CE2-CE 3.73Å; F343-M346 HydrophobicContact CG-CE 4.42Å; F343-M346 HydrophobicContact CZ-CE 4.29Å; F343-M346 PolarHBondContact O-N 3.43Å; F343-M346 VanDerWaalsContact O-N 3.16Å; F343-L347 HydrophobicContact CD1-CD1 3.79Å; F343-L347 HydrophobicContact CD1-CG 4.14Å; F343-L347 HydrophobicContact CE1-CD1 3.39Å; F343-L347 HydrophobicContact CE1-CD2 4.39Å; F343-L347 HydrophobicContact CE1-CG 3.81Å; F343-L347 HydrophobicContact CZ-CD1 4.22Å; F343-L347 HydrophobicContact CZ-CD2 4.45Å; F343-L347 HydrophobicContact CZ-CG 4.25Å; F343-L347 PolarHBondContact O-N 3.02Å; F343-L376 HydrophobicContact CD2-CD2 3.95Å; F343-L376 HydrophobicContact CE2-CD2 3.53Å; F343-I379 HydrophobicContact CB-CD1 3.82Å; F343-I379 HydrophobicContact CD2-CD1 3.92Å; F343-I379 HydrophobicContact CG-CD1 4.39Å
344A95.7Very high95.3Very high53 Ų5339.7 Ų39.744%0.43821%0.214SC..Hα-helixtrans-61-40.2178.300000111.8V340 V341 L347 A348V340-A344 WeakPolarHBondContact O-CB 3.43Å; V340-A344 PolarHBondContact O-N 2.97Å; V341-A344 PolarHBondContact O-N 3.19Å; A344-L347 PolarHBondContact O-N 2.61Å; A344-A348 PolarHBondContact O-N 3.42Å; A344-A348 VanDerWaalsContact O-N 3.15Å
345L94.3Very high95Very high22 Ų2236.5 Ų36.512%0.11521%0.207CC..Hα-helixtrans-63.3-44.6174.5-178.762.4000111.7V341 F343 L347 A348 F349 L412 F420 F424V341-L345 WeakPolarHBondContact O-CB 3.29Å; V341-L345 PolarHBondContact O-N 3.31Å; F343-L345 VanDerWaalsContact C-N 3.3Å; F343-L345 PolarHBondContact O-N 2.91Å; L345-L347 VanDerWaalsContact C-N 3.35Å; L345-L347 PolarHBondContact O-N 3.16Å; L345-A348 PolarHBondContact O-N 2.88Å; L345-F349 HydrophobicContact CD1-CD2 4.29Å; L345-F349 HydrophobicContact CD1-CE2 3.55Å; L345-F349 HydrophobicContact CD1-CZ 4.21Å; L345-F349 HydrophobicContact CD2-CE2 4.29Å; L345-F349 HydrophobicContact CG-CD2 4.17Å; L345-F349 HydrophobicContact CG-CE2 3.65Å; L345-F349 WeakPolarHBondContact O-CD2 3.47Å; L345-F349 PolarHBondContact O-N 2.95Å; L345-L412 HydrophobicContact CD1-CD1 3.58Å; L345-F420 HydrophobicContact CD1-CD1 4.42Å; L345-F420 HydrophobicContact CD1-CE1 3.52Å; L345-F420 HydrophobicContact CD1-CZ 3.89Å; L345-F420 HydrophobicContact CD2-CD1 4.26Å; L345-F420 HydrophobicContact CD2-CE1 3.96Å; L345-F420 HydrophobicContact CG-CE1 4.41Å; L345-F424 HydrophobicContact CD2-CE2 3.51Å; L345-F424 HydrophobicContact CD2-CZ 3.67Å
346M95.9Very high94.5Very high1 Ų137.9 Ų37.91%0.00522%0.215CC..Hα-helixtrans-61.7-41.6175.6178.6-75.3-53.500111.9V80 Q342 F343 A348 F349 Y350 I372 T375 L376V80-M346 HydrophobicContact CG1-SD 4.42Å; Q342-M346 WeakPolarHBondContact O-CB 3.43Å; Q342-M346 PolarHBondContact O-N 3.39Å; F343-M346 HydrophobicContact CD2-CE 3.81Å; F343-M346 HydrophobicContact CE2-CE 3.73Å; F343-M346 HydrophobicContact CG-CE 4.42Å; F343-M346 HydrophobicContact CZ-CE 4.29Å; F343-M346 PolarHBondContact O-N 3.43Å; F343-M346 VanDerWaalsContact O-N 3.16Å; M346-A348 VanDerWaalsContact C-N 3.28Å; M346-A348 PolarHBondContact O-N 3.04Å; M346-F349 CarbonylContact O-C 3.6Å; M346-F349 PolarHBondContact O-N 3.06Å; M346-F349 VanDerWaalsContact O-N 3.13Å; M346-Y350 WeakPolarHBondContact O-CB 3.38Å; M346-Y350 PolarHBondContact O-N 3.45Å; M346-I372 HydrophobicContact CG-CG1 4.36Å; M346-I372 HydrophobicContact SD-CB 4.32Å; M346-I372 HydrophobicContact SD-CG1 4.13Å; M346-I372 HydrophobicContact SD-CG2 3.74Å; M346-T375 HydrophobicContact CB-CG2 3.7Å; M346-T375 HydrophobicContact CG-CG2 3.76Å; M346-L376 HydrophobicContact CE-CD2 3.42Å; M346-L376 VanDerWaalsContact CE-CD2 3.42Å; M346-L376 HydrophobicContact CE-CG 4.22Å; M346-L376 HydrophobicContact SD-CD2 4.4Å
347L94.5Very high94.1Very high49 Ų4937.8 Ų37.826%0.25722%0.217SC..Hα-helixtrans-58.5-40.3176.4-83.9179.5000112.1V80 F343 A344 L345 F349 Y350 E351V80-L347 HydrophobicContact CG2-CD2 3.63Å; F343-L347 HydrophobicContact CD1-CD1 3.79Å; F343-L347 HydrophobicContact CD1-CG 4.14Å; F343-L347 HydrophobicContact CE1-CD1 3.39Å; F343-L347 HydrophobicContact CE1-CD2 4.39Å; F343-L347 HydrophobicContact CE1-CG 3.81Å; F343-L347 HydrophobicContact CZ-CD1 4.22Å; F343-L347 HydrophobicContact CZ-CD2 4.45Å; F343-L347 HydrophobicContact CZ-CG 4.25Å; F343-L347 PolarHBondContact O-N 3.02Å; A344-L347 PolarHBondContact O-N 2.61Å; L345-L347 VanDerWaalsContact C-N 3.35Å; L345-L347 PolarHBondContact O-N 3.16Å; L347-F349 VanDerWaalsContact C-N 3.33Å; L347-F349 PolarHBondContact O-N 3.4Å; L347-Y350 HydrophobicContact CD2-CD1 4.38Å; L347-Y350 WeakPolarHBondContact O-CB 3.49Å; L347-Y350 PolarHBondContact O-N 3.05Å; L347-E351 PolarHBondContact O-N 3.41Å
348A93.3Very high93.7Very high34 Ų3438.9 Ų38.928%0.28124%0.239SC..Hα-helixtrans-62.7-40.4176.700000112A344 L345 M346 E352 L412A344-A348 PolarHBondContact O-N 3.42Å; A344-A348 VanDerWaalsContact O-N 3.15Å; L345-A348 PolarHBondContact O-N 2.88Å; M346-A348 VanDerWaalsContact C-N 3.28Å; M346-A348 PolarHBondContact O-N 3.04Å; A348-E352 PolarHBondContact O-N 3.33Å; A348-E352 VanDerWaalsContact O-N 3.09Å; A348-L412 HydrophobicContact CB-CD1 3.6Å; A348-L412 HydrophobicContact CB-CD2 3.65Å; A348-L412 HydrophobicContact CB-CG 4.29Å
349F93Very high93.4Very high1 Ų141 Ų410%0.00427%0.266CS..Hα-helixtrans-70.6-33.4173.5-68.8-62.6000113.4L345 M346 L347 T353 F371 F400 L409 K410 L412L345-F349 HydrophobicContact CD1-CD2 4.29Å; L345-F349 HydrophobicContact CD1-CE2 3.55Å; L345-F349 HydrophobicContact CD1-CZ 4.21Å; L345-F349 HydrophobicContact CD2-CE2 4.29Å; L345-F349 HydrophobicContact CG-CD2 4.17Å; L345-F349 HydrophobicContact CG-CE2 3.65Å; L345-F349 WeakPolarHBondContact O-CD2 3.47Å; L345-F349 PolarHBondContact O-N 2.95Å; M346-F349 CarbonylContact O-C 3.6Å; M346-F349 PolarHBondContact O-N 3.06Å; M346-F349 VanDerWaalsContact O-N 3.13Å; L347-F349 VanDerWaalsContact C-N 3.33Å; L347-F349 PolarHBondContact O-N 3.4Å; F349-T353 WeakPolarHBondContact O-CB 3.24Å; F349-T353 PolarHBondContact O-N 3.12Å; F349-T353 PolarHBondContact O-OG1 2.88Å; F349-F371 HydrophobicContact CD2-CE1 4.24Å; F349-F400 HydrophobicContact CD2-CE2 4.43Å; F349-F400 HydrophobicContact CE2-CD2 4.42Å; F349-F400 AromaticContact CE2-CE2 3.5Å; F349-F400 HydrophobicContact CE2-CE2 3.5Å; F349-F400 VanDerWaalsContact CE2-CE2 3.5Å; F349-F400 HydrophobicContact CE2-CZ 4.28Å; F349-F400 AromaticContact CZ-CE2 3.66Å; F349-F400 HydrophobicContact CZ-CE2 3.66Å; F349-F400 HydrophobicContact CZ-CZ 4.16Å; F349-L409 HydrophobicContact CB-CD2 4.35Å; F349-L409 HydrophobicContact CD1-CB 4.38Å; F349-L409 HydrophobicContact CD1-CD2 3.81Å; F349-L409 HydrophobicContact CE1-CB 4.09Å; F349-L409 HydrophobicContact CE1-CD2 4.35Å; F349-L409 HydrophobicContact CG-CD2 4.15Å; F349-K410 WeakPolarHBondContact CE1-O 3.5Å; F349-L412 HydrophobicContact CE1-CG 4.24Å; F349-L412 HydrophobicContact CE2-CD1 4.42Å; F349-L412 HydrophobicContact CZ-CD1 4.23Å; F349-L412 HydrophobicContact CZ-CG 4.34Å
350Y94.7Very high93.1Very high24 Ų2442.2 Ų42.29%0.09427%0.272CS..Hα-helixtrans-60.4-50.3172.6161.7-92.1000110.5V80 R83 L84 M346 L347 E352 T353 F354 I372V80-Y350 HydrophobicContact CB-CE2 4.45Å; V80-Y350 HydrophobicContact CG1-CD2 3.64Å; V80-Y350 HydrophobicContact CG1-CE2 3.81Å; V80-Y350 HydrophobicContact CG1-CG 4.26Å; R83-Y350 WeakPolarHBondContact CB-OH 3.39Å; L84-Y350 HydrophobicContact CD2-CD2 4.07Å; L84-Y350 HydrophobicContact CD2-CE2 4.08Å; M346-Y350 WeakPolarHBondContact O-CB 3.38Å; M346-Y350 PolarHBondContact O-N 3.45Å; L347-Y350 HydrophobicContact CD2-CD1 4.38Å; L347-Y350 WeakPolarHBondContact O-CB 3.49Å; L347-Y350 PolarHBondContact O-N 3.05Å; Y350-E352 PolarHBondContact O-N 3.28Å; Y350-T353 WeakPolarHBondContact O-CB 3.35Å; Y350-T353 PolarHBondContact O-N 3.29Å; Y350-T353 VanDerWaalsContact O-N 3.12Å; Y350-F354 AromaticContact CD2-CD2 3.98Å; Y350-F354 HydrophobicContact CD2-CD2 3.98Å; Y350-F354 AromaticContact CD2-CE2 3.76Å; Y350-F354 HydrophobicContact CD2-CE2 3.76Å; Y350-F354 HydrophobicContact CE1-CD2 4.36Å; Y350-F354 AromaticContact CE2-CD2 3.66Å; Y350-F354 HydrophobicContact CE2-CD2 3.66Å; Y350-F354 AromaticContact CE2-CE2 3.17Å; Y350-F354 HydrophobicContact CE2-CE2 3.17Å; Y350-F354 HydrophobicContact CE2-CZ 4.06Å; Y350-F354 HydrophobicContact CG-CD2 4.49Å; Y350-F354 AromaticContact CZ-CD2 3.83Å; Y350-F354 AromaticContact CZ-CE2 3.62Å; Y350-F354 WeakPolarHBondContact O-CD2 3.22Å; Y350-F354 PolarHBondContact O-N 3.5Å; Y350-F354 VanDerWaalsContact O-N 3.12Å; Y350-I372 HydrophobicContact CD2-CD1 4.28Å
351E91.5Very high92.9Very high92 Ų9242.7 Ų42.743%0.4328%0.278SS..Hα-helixtrans-60.9-44.1177.4-71.7-60.8143.800111.9L347 T353 F354 A355L347-E351 PolarHBondContact O-N 3.41Å; E351-T353 VanDerWaalsContact C-N 3.28Å; E351-T353 PolarHBondContact O-N 2.96Å; E351-F354 PolarHBondContact O-N 2.97Å; E351-A355 WeakPolarHBondContact O-CB 3.36Å; E351-A355 PolarHBondContact O-N 3.2Å
352E91.4Very high92.8Very high31 Ų3145 Ų4515%0.14528%0.283CS..Hα-helixtrans-58.4-41.2174.6-169-156.4137.500111.4A348 Y350 F354 A355 D356 R368A348-E352 PolarHBondContact O-N 3.33Å; A348-E352 VanDerWaalsContact O-N 3.09Å; Y350-E352 PolarHBondContact O-N 3.28Å; E352-F354 VanDerWaalsContact C-N 3.33Å; E352-F354 PolarHBondContact O-N 3.37Å; E352-A355 PolarHBondContact O-N 3.27Å; E352-D356 WeakPolarHBondContact O-CB 3.49Å; E352-D356 PolarHBondContact O-N 3.44Å; E352-R368 IonicContact OE1-CZ 3.81Å; E352-R368 IonicContact OE1-NH1 2.9Å; E352-R368 PolarHBondContact OE1-NH1 3Å; E352-R368 IonicContact OE1-NH2 3.92Å; E352-R368 PolarHBondContact OE1-NH2 2.89Å
353T93.8Very high92.7Very high1 Ų149.1 Ų49.11%0.00631%0.309CS..Hα-helixtrans-62.7-40179.8-57.90000112L87 F349 Y350 E351 T357 L360 L365 R368L87-T353 HydrophobicContact CD1-CG2 4.08Å; F349-T353 WeakPolarHBondContact O-CB 3.24Å; F349-T353 PolarHBondContact O-N 3.12Å; F349-T353 PolarHBondContact O-OG1 2.88Å; Y350-T353 WeakPolarHBondContact O-CB 3.35Å; Y350-T353 PolarHBondContact O-N 3.29Å; Y350-T353 VanDerWaalsContact O-N 3.12Å; E351-T353 VanDerWaalsContact C-N 3.28Å; E351-T353 PolarHBondContact O-N 2.96Å; T353-T357 PolarHBondContact O-N 3.02Å; T353-T357 PolarHBondContact O-OG1 3.35Å; T353-L360 HydrophobicContact CG2-CD1 4.42Å; T353-L365 HydrophobicContact CG2-CD1 3.62Å; T353-R368 HydrophobicContact CG2-CB 4.18Å; T353-R368 VanDerWaalsContact OG1-CD 3.32Å; T353-R368 WeakPolarHBondContact OG1-CD 3.36Å
354F91.7Very high92.6Very high46 Ų4649.3 Ų49.320%0.20231%0.311CS..Hα-helixtrans-73.5-32.3175.2-87.7-92.5000113R83 L84 L87 Y350 E351 E352 T357R83-F354 HydrophobicContact CB-CZ 3.94Å; L84-F354 HydrophobicContact CD2-CE2 4.31Å; L87-F354 HydrophobicContact CD1-CD2 4.4Å; L87-F354 HydrophobicContact CD1-CE2 3.77Å; L87-F354 HydrophobicContact CD1-CZ 3.95Å; L87-F354 HydrophobicContact CD2-CD1 3.75Å; L87-F354 HydrophobicContact CD2-CD2 4.04Å; L87-F354 HydrophobicContact CD2-CE1 3.63Å; L87-F354 HydrophobicContact CD2-CE2 3.91Å; L87-F354 HydrophobicContact CD2-CG 3.96Å; L87-F354 HydrophobicContact CD2-CZ 3.72Å; L87-F354 HydrophobicContact CG-CE1 3.97Å; L87-F354 HydrophobicContact CG-CE2 3.93Å; L87-F354 HydrophobicContact CG-CZ 3.62Å; Y350-F354 AromaticContact CD2-CD2 3.98Å; Y350-F354 HydrophobicContact CD2-CD2 3.98Å; Y350-F354 AromaticContact CD2-CE2 3.76Å; Y350-F354 HydrophobicContact CD2-CE2 3.76Å; Y350-F354 HydrophobicContact CE1-CD2 4.36Å; Y350-F354 AromaticContact CE2-CD2 3.66Å; Y350-F354 HydrophobicContact CE2-CD2 3.66Å; Y350-F354 AromaticContact CE2-CE2 3.17Å; Y350-F354 HydrophobicContact CE2-CE2 3.17Å; Y350-F354 HydrophobicContact CE2-CZ 4.06Å; Y350-F354 HydrophobicContact CG-CD2 4.49Å; Y350-F354 AromaticContact CZ-CD2 3.83Å; Y350-F354 AromaticContact CZ-CE2 3.62Å; Y350-F354 WeakPolarHBondContact O-CD2 3.22Å; Y350-F354 PolarHBondContact O-N 3.5Å; Y350-F354 VanDerWaalsContact O-N 3.12Å; E351-F354 PolarHBondContact O-N 2.97Å; E352-F354 VanDerWaalsContact C-N 3.33Å; E352-F354 PolarHBondContact O-N 3.37Å; F354-T357 WeakPolarHBondContact CA-OG1 3.41Å; F354-T357 PolarHBondContact O-OG1 2.84Å
355A89Confident92.6Very high69 Ų6946.8 Ų46.857%0.5729%0.29SS*.Hα-helixtrans-69.7-41.8176.400000112.1E351 E352E351-A355 WeakPolarHBondContact O-CB 3.36Å; E351-A355 PolarHBondContact O-N 3.2Å; E352-A355 PolarHBondContact O-N 3.27Å
356D88Confident92.7Very high44 Ų4450.3 Ų50.324%0.23531%0.309CS..SBendtrans-95.16.5-173.4-78.91000113.5E352 A358 A359 L360 K410E352-D356 WeakPolarHBondContact O-CB 3.49Å; E352-D356 PolarHBondContact O-N 3.44Å; D356-A358 PolarHBondContact O-N 3.44Å; D356-A359 WeakPolarHBondContact O-CA 3.49Å; D356-A359 PolarHBondContact O-N 3.33Å; D356-L360 HydrophobicContact CB-CD1 4.2Å; D356-L360 HydrophobicContact CB-CD2 4.45Å; D356-L360 HydrophobicContact CB-CG 4.06Å; D356-L360 WeakPolarHBondContact O-CG 3.32Å; D356-L360 PolarHBondContact O-N 3.26Å; D356-L360 VanDerWaalsContact O-N 3.15Å; D356-K410 IonicContact OD2-NZ 2.88Å; D356-K410 PolarHBondContact OD2-NZ 3.04Å
357T88.1Confident92.8Very high38 Ų3852.6 Ų52.623%0.23332%0.32CS..THydrogen-bonded Turntrans-51.2-39.8-169.2-50.90000113.7L87 T353 F354 A359 L365L87-T357 HydrophobicContact CD2-CG2 3.91Å; L87-T357 WeakPolarHBondContact CD2-OG1 3.22Å; T353-T357 PolarHBondContact O-N 3.02Å; T353-T357 PolarHBondContact O-OG1 3.35Å; F354-T357 WeakPolarHBondContact CA-OG1 3.41Å; F354-T357 PolarHBondContact O-OG1 2.84Å; T357-A359 VanDerWaalsContact C-N 3.3Å; T357-A359 PolarHBondContact O-N 2.95Å; T357-L365 HydrophobicContact CG2-CD1 4.42Å; T357-L365 HydrophobicContact CG2-CD2 4.17Å
358A87.7Confident92.9Very high111 Ų11150.3 Ų50.392%0.91731%0.308SS*.THydrogen-bonded Turntrans-71.5-20.5179.600000114.3D356D356-A358 PolarHBondContact O-N 3.44Å
359A91.3Very high93.1Very high88 Ų8849.1 Ų49.173%0.72730%0.298SS*.THydrogen-bonded Turntrans-97.2-17.1-179.200000113.2D356 T357D356-A359 WeakPolarHBondContact O-CA 3.49Å; D356-A359 PolarHBondContact O-N 3.33Å; T357-A359 VanDerWaalsContact C-N 3.3Å; T357-A359 PolarHBondContact O-N 2.95Å
360L91.9Very high93.3Very high25 Ų2551.8 Ų51.813%0.13132%0.315CS..SBendtrans-81.7141.6-178-64.5173.6000111.6T353 D356 T364 L365T353-L360 HydrophobicContact CG2-CD1 4.42Å; D356-L360 HydrophobicContact CB-CD1 4.2Å; D356-L360 HydrophobicContact CB-CD2 4.45Å; D356-L360 HydrophobicContact CB-CG 4.06Å; D356-L360 WeakPolarHBondContact O-CG 3.32Å; D356-L360 PolarHBondContact O-N 3.26Å; D356-L360 VanDerWaalsContact O-N 3.15Å; L360-T364 HydrophobicContact CD2-CG2 3.93Å; L360-L365 HydrophobicContact CD1-CD1 4.35Å
361S94.4Very high93.4Very high65 Ų6550.8 Ų50.846%0.45531%0.312SS..  trans-67150.9167.471.30000110.6V363 T364 L365S361-V363 PolarHBondContact O-N 3.47Å; S361-T364 PolarHBondContact O-N 2.91Å; S361-T364 WeakPolarHBondContact OG-CB 3.34Å; S361-T364 PolarHBondContact OG-N 3.3Å; S361-T364 PolarHBondContact OG-OG1 3.37Å; S361-L365 PolarHBondContact O-N 3.34Å
362Q94Very high93.7Very high132 Ų13246.4 Ų46.462%0.61729%0.291SS*.Hα-helixtrans-56.6-36.4179-66.6-60.1-35.400112.6L365 L366Q362-L365 PolarHBondContact O-N 2.9Å; Q362-L366 WeakPolarHBondContact O-CB 3.34Å; Q362-L366 PolarHBondContact O-N 2.85Å
363V95.5Very high94Very high95 Ų9547.7 Ų47.758%0.57630%0.298SS*.Hα-helixtrans-64-46.9174.7177.20000111S361 L365 L366 L367S361-V363 PolarHBondContact O-N 3.47Å; V363-L365 VanDerWaalsContact C-N 3.33Å; V363-L365 PolarHBondContact O-N 3.09Å; V363-L366 PolarHBondContact O-N 2.93Å; V363-L367 HydrophobicContact CG1-CD1 3.98Å; V363-L367 HydrophobicContact CG1-CG 4.42Å; V363-L367 WeakPolarHBondContact O-CB 3.16Å; V363-L367 VanDerWaalsContact O-CG 3.27Å; V363-L367 WeakPolarHBondContact O-CG 3.42Å; V363-L367 PolarHBondContact O-N 3.39Å
364T95.6Very high94.2Very high14 Ų1449.1 Ų49.19%0.08631%0.306CS..Hα-helixtrans-63-42.7178.8-57.30000111L360 S361 L367 R368 H408L360-T364 HydrophobicContact CD2-CG2 3.93Å; S361-T364 PolarHBondContact O-N 2.91Å; S361-T364 WeakPolarHBondContact OG-CB 3.34Å; S361-T364 PolarHBondContact OG-N 3.3Å; S361-T364 PolarHBondContact OG-OG1 3.37Å; T364-L367 PolarHBondContact O-N 3.47Å; T364-R368 HydrophobicContact CG2-CG 4.38Å; T364-R368 WeakPolarHBondContact O-CG 3.39Å; T364-R368 PolarHBondContact O-N 2.95Å; T364-H408 HydrophobicContact CG2-CB 4.05Å; T364-H408 PolarHBondContact OG1-ND1 2.98Å
365L95.7Very high94.6Very high1 Ų147 Ų471%0.00530%0.296CS..Hα-helixtrans-60.5-47.2177.7-173.261.3000111.5L87 F88 T353 T357 L360 S361 Q362 V363 L367 R368 V369L87-L365 HydrophobicContact CB-CD1 4.27Å; L87-L365 HydrophobicContact CB-CD2 4.23Å; L87-L365 HydrophobicContact CB-CG 4.47Å; L87-L365 HydrophobicContact CD1-CD1 4.13Å; L87-L365 HydrophobicContact CD2-CD1 4.33Å; L87-L365 HydrophobicContact CG-CD1 4.49Å; F88-L365 HydrophobicContact CD1-CD2 4.24Å; F88-L365 HydrophobicContact CE1-CB 4.46Å; F88-L365 HydrophobicContact CE1-CD2 3.96Å; F88-L365 HydrophobicContact CE1-CG 3.9Å; F88-L365 HydrophobicContact CZ-CD2 4.49Å; F88-L365 HydrophobicContact CZ-CG 4.08Å; T353-L365 HydrophobicContact CG2-CD1 3.62Å; T357-L365 HydrophobicContact CG2-CD1 4.42Å; T357-L365 HydrophobicContact CG2-CD2 4.17Å; L360-L365 HydrophobicContact CD1-CD1 4.35Å; S361-L365 PolarHBondContact O-N 3.34Å; Q362-L365 PolarHBondContact O-N 2.9Å; V363-L365 VanDerWaalsContact C-N 3.33Å; V363-L365 PolarHBondContact O-N 3.09Å; L365-L367 PolarHBondContact O-N 3.37Å; L365-R368 PolarHBondContact O-N 3.23Å; L365-V369 WeakPolarHBondContact O-CG2 3.49Å; L365-V369 PolarHBondContact O-N 3.3Å
366L96.4Very high95Very high96 Ų9643.7 Ų43.750%0.50327%0.27SS..Hα-helixtrans-59.6-45.8175.9-178.662.8000111.9F88 Q362 V363 R368 V369 C370F88-L366 HydrophobicContact CE1-CB 4.48Å; F88-L366 HydrophobicContact CZ-CD1 4.38Å; Q362-L366 WeakPolarHBondContact O-CB 3.34Å; Q362-L366 PolarHBondContact O-N 2.85Å; V363-L366 PolarHBondContact O-N 2.93Å; L366-R368 PolarHBondContact O-N 2.86Å; L366-V369 PolarHBondContact O-N 2.97Å; L366-C370 WeakPolarHBondContact O-CB 3.17Å; L366-C370 PolarHBondContact O-N 2.77Å; L366-C370 PolarHBondContact O-SG 3.13Å; L366-C370 VanDerWaalsContact O-SG 3.32Å
367L97.1Very high95.5Very high48 Ų4842.4 Ų42.425%0.25126%0.263SS..Hα-helixtrans-62-42.9178.3-73173.7000112.4V363 T364 L365 C370 F371 L403V363-L367 HydrophobicContact CG1-CD1 3.98Å; V363-L367 HydrophobicContact CG1-CG 4.42Å; V363-L367 WeakPolarHBondContact O-CB 3.16Å; V363-L367 VanDerWaalsContact O-CG 3.27Å; V363-L367 WeakPolarHBondContact O-CG 3.42Å; V363-L367 PolarHBondContact O-N 3.39Å; T364-L367 PolarHBondContact O-N 3.47Å; L365-L367 PolarHBondContact O-N 3.37Å; L367-C370 PolarHBondContact O-N 2.71Å; L367-F371 PolarHBondContact O-N 3.35Å; L367-L403 HydrophobicContact CB-CD2 3.69Å; L367-L403 HydrophobicContact CD1-CD2 3.89Å; L367-L403 HydrophobicContact CD2-CD2 4.25Å; L367-L403 HydrophobicContact CG-CD2 4.16Å
368R96.7Very high96Very high2 Ų240.6 Ų40.61%0.00825%0.252CS..Hα-helixtrans-63-42.5175.7-71.7-174.4-178.5-151.2-8.3111.7E352 T353 T364 L365 L366 F371 I372 H408 L409E352-R368 IonicContact OE1-CZ 3.81Å; E352-R368 IonicContact OE1-NH1 2.9Å; E352-R368 PolarHBondContact OE1-NH1 3Å; E352-R368 IonicContact OE1-NH2 3.92Å; E352-R368 PolarHBondContact OE1-NH2 2.89Å; T353-R368 HydrophobicContact CG2-CB 4.18Å; T353-R368 VanDerWaalsContact OG1-CD 3.32Å; T353-R368 WeakPolarHBondContact OG1-CD 3.36Å; T364-R368 HydrophobicContact CG2-CG 4.38Å; T364-R368 WeakPolarHBondContact O-CG 3.39Å; T364-R368 PolarHBondContact O-N 2.95Å; L365-R368 PolarHBondContact O-N 3.23Å; L366-R368 PolarHBondContact O-N 2.86Å; R368-F371 WeakPolarHBondContact O-CB 3.35Å; R368-F371 PolarHBondContact O-N 3.5Å; R368-I372 WeakPolarHBondContact O-CG1 3.47Å; R368-I372 PolarHBondContact O-N 3.46Å; R368-H408 PolarHBondContact NE-O 2.89Å; R368-H408 PolarHBondContact NH2-O 2.65Å; R368-L409 HydrophobicContact CG-CD2 3.93Å
369V96.8Very high96.5Very high9 Ų935.5 Ų35.56%0.05521%0.209CC..Hα-helixtrans-64-45176.5166.70000111.4L84 L87 F88 L365 L366 F371 I372 I373L84-V369 HydrophobicContact CB-CG1 4.45Å; L84-V369 HydrophobicContact CD1-CG1 4.21Å; L84-V369 HydrophobicContact CD2-CG2 4.46Å; L87-V369 HydrophobicContact CD1-CG2 3.62Å; F88-V369 HydrophobicContact CE2-CB 4.16Å; F88-V369 HydrophobicContact CE2-CG1 4.02Å; F88-V369 HydrophobicContact CE2-CG2 3.74Å; F88-V369 HydrophobicContact CZ-CB 4.05Å; F88-V369 HydrophobicContact CZ-CG1 4.32Å; F88-V369 HydrophobicContact CZ-CG2 3.74Å; L365-V369 WeakPolarHBondContact O-CG2 3.49Å; L365-V369 PolarHBondContact O-N 3.3Å; L366-V369 PolarHBondContact O-N 2.97Å; V369-F371 PolarHBondContact O-N 2.87Å; V369-I372 PolarHBondContact O-N 3.11Å; V369-I373 HydrophobicContact CG1-CD1 3.86Å; V369-I373 HydrophobicContact CG1-CG1 4.49Å; V369-I373 WeakPolarHBondContact O-CG1 3.33Å; V369-I373 PolarHBondContact O-N 3.42Å
370C97.4Very high96.8Very high56 Ų5631.4 Ų31.438%0.37818%0.176SC..Hα-helixtrans-57.7-38.3173.2-72.40000111.8L366 L367 L374 M399L366-C370 WeakPolarHBondContact O-CB 3.17Å; L366-C370 PolarHBondContact O-N 2.77Å; L366-C370 PolarHBondContact O-SG 3.13Å; L366-C370 VanDerWaalsContact O-SG 3.32Å; L367-C370 PolarHBondContact O-N 2.71Å; C370-L374 WeakPolarHBondContact O-CB 3.46Å; C370-L374 PolarHBondContact O-N 3.47Å; C370-M399 HydrophobicContact CB-CE 4.42Å
371F97.7Very high97.1Very high3 Ų331.5 Ų31.51%0.01318%0.175CC..Hα-helixtrans-65.2-43175.1174-106.8000114.2F349 L367 R368 V369 T375 R396 M399 F400 L403 L409F349-F371 HydrophobicContact CD2-CE1 4.24Å; L367-F371 PolarHBondContact O-N 3.35Å; R368-F371 WeakPolarHBondContact O-CB 3.35Å; R368-F371 PolarHBondContact O-N 3.5Å; V369-F371 PolarHBondContact O-N 2.87Å; F371-T375 WeakPolarHBondContact CE2-OG1 3.29Å; F371-T375 WeakPolarHBondContact CZ-OG1 3.42Å; F371-T375 VanDerWaalsContact O-CB 3.31Å; F371-T375 WeakPolarHBondContact O-CB 3.41Å; F371-T375 PolarHBondContact O-N 3.15Å; F371-T375 PolarHBondContact O-OG1 2.76Å; F371-R396 HydrophobicContact CE2-CG 4.32Å; F371-M399 HydrophobicContact CB-CE 3.55Å; F371-M399 HydrophobicContact CD2-CE 4.02Å; F371-M399 HydrophobicContact CG-CE 4.3Å; F371-M399 VanDerWaalsContact N-CE 3.3Å; F371-F400 HydrophobicContact CE1-CD2 4.29Å; F371-F400 HydrophobicContact CE2-CB 3.75Å; F371-F400 HydrophobicContact CE2-CD2 4.01Å; F371-F400 HydrophobicContact CE2-CG 4.38Å; F371-F400 HydrophobicContact CZ-CB 4.23Å; F371-F400 AromaticContact CZ-CD2 3.62Å; F371-F400 HydrophobicContact CZ-CD2 3.62Å; F371-F400 HydrophobicContact CZ-CG 4.39Å; F371-L403 HydrophobicContact CB-CD1 3.64Å; F371-L403 HydrophobicContact CG-CD1 4.15Å; F371-L409 HydrophobicContact CD1-CD1 4.1Å; F371-L409 HydrophobicContact CE1-CD1 4.13Å; F371-L409 HydrophobicContact CG-CD1 4.5Å
372I98Very high97.3Very high1 Ų128.5 Ų28.51%0.00515%0.154CC..Hα-helixtrans-61-52.4175.4-69.2159.7000109.6V80 L84 M346 Y350 R368 V369 L374 T375 L376V80-I372 HydrophobicContact CG1-CG2 3.69Å; L84-I372 HydrophobicContact CD1-CG2 3.96Å; L84-I372 HydrophobicContact CD2-CD1 4.21Å; L84-I372 HydrophobicContact CD2-CG2 4.23Å; M346-I372 HydrophobicContact CG-CG1 4.36Å; M346-I372 HydrophobicContact SD-CB 4.32Å; M346-I372 HydrophobicContact SD-CG1 4.13Å; M346-I372 HydrophobicContact SD-CG2 3.74Å; Y350-I372 HydrophobicContact CD2-CD1 4.28Å; R368-I372 WeakPolarHBondContact O-CG1 3.47Å; R368-I372 PolarHBondContact O-N 3.46Å; V369-I372 PolarHBondContact O-N 3.11Å; I372-L374 PolarHBondContact O-N 3.42Å; I372-T375 PolarHBondContact O-N 2.91Å; I372-T375 VanDerWaalsContact O-N 3.11Å; I372-L376 HydrophobicContact CG2-CD1 4.06Å; I372-L376 HydrophobicContact CG2-CG 4.46Å; I372-L376 VanDerWaalsContact O-CG 3.32Å; I372-L376 WeakPolarHBondContact O-CG 3.37Å; I372-L376 PolarHBondContact O-N 3.43Å
373I98Very high97.4Very high57 Ų5722.4 Ų22.429%0.29213%0.125SC..Hα-helixtrans-59.5-45.8-179.9-64.6170.4000111.3L81 L84 I271 V369 T375 L376 T377L81-I373 HydrophobicContact CD2-CG1 3.77Å; L84-I373 HydrophobicContact CD1-CD1 4.17Å; L84-I373 HydrophobicContact CD1-CG1 3.69Å; I271-I373 HydrophobicContact CD1-CG2 4.11Å; V369-I373 HydrophobicContact CG1-CD1 3.86Å; V369-I373 HydrophobicContact CG1-CG1 4.49Å; V369-I373 WeakPolarHBondContact O-CG1 3.33Å; V369-I373 PolarHBondContact O-N 3.42Å; I373-T375 VanDerWaalsContact C-N 3.28Å; I373-T375 PolarHBondContact O-N 2.7Å; I373-L376 PolarHBondContact O-N 2.87Å; I373-T377 WeakPolarHBondContact O-CB 3.24Å; I373-T377 PolarHBondContact O-N 3.49Å; I373-T377 PolarHBondContact O-OG1 2.98Å
374L98.1Very high97.5Very high32 Ų3219.3 Ų19.317%0.16811%0.106CC..Hα-helixtrans-61.4-39.3177.8-178.659.8000111.4C370 I372 T377 S378 M392 R396 M399C370-L374 WeakPolarHBondContact O-CB 3.46Å; C370-L374 PolarHBondContact O-N 3.47Å; I372-L374 PolarHBondContact O-N 3.42Å; L374-T377 PolarHBondContact O-N 3Å; L374-S378 VanDerWaalsContact O-CB 3.31Å; L374-S378 WeakPolarHBondContact O-CB 3.27Å; L374-S378 PolarHBondContact O-N 3.29Å; L374-M392 HydrophobicContact CD1-CG 4.27Å; L374-M392 HydrophobicContact CD1-SD 3.32Å; L374-M392 WeakPolarHBondContact CD1-SD 3.46Å; L374-R396 HydrophobicContact CD2-CB 4.15Å; L374-R396 HydrophobicContact CG-CB 4.02Å; L374-R396 HydrophobicContact CG-CG 4.24Å; L374-M399 HydrophobicContact CB-CE 3.95Å; L374-M399 HydrophobicContact CD2-CB 4.24Å; L374-M399 HydrophobicContact CD2-CE 3.48Å; L374-M399 VanDerWaalsContact CD2-CE 3.48Å; L374-M399 HydrophobicContact CD2-SD 3.86Å; L374-M399 HydrophobicContact CG-CE 4.35Å
375T98.4Very high97.5Very high0 Ų023 Ų230%012%0.122CC..Hα-helixtrans-66.6-47.5178.5-61.30000112.4M346 F371 I372 I373 T377 S378 I379 R396M346-T375 HydrophobicContact CB-CG2 3.7Å; M346-T375 HydrophobicContact CG-CG2 3.76Å; F371-T375 WeakPolarHBondContact CE2-OG1 3.29Å; F371-T375 WeakPolarHBondContact CZ-OG1 3.42Å; F371-T375 VanDerWaalsContact O-CB 3.31Å; F371-T375 WeakPolarHBondContact O-CB 3.41Å; F371-T375 PolarHBondContact O-N 3.15Å; F371-T375 PolarHBondContact O-OG1 2.76Å; I372-T375 PolarHBondContact O-N 2.91Å; I372-T375 VanDerWaalsContact O-N 3.11Å; I373-T375 VanDerWaalsContact C-N 3.28Å; I373-T375 PolarHBondContact O-N 2.7Å; T375-T377 VanDerWaalsContact C-N 3.32Å; T375-T377 PolarHBondContact O-N 3.32Å; T375-S378 PolarHBondContact O-N 3.22Å; T375-I379 HydrophobicContact CG2-CD1 3.93Å; T375-I379 WeakPolarHBondContact O-CG1 3.48Å; T375-I379 PolarHBondContact O-N 3.02Å; T375-R396 VanDerWaalsContact CA-CD 3.46Å; T375-R396 WeakPolarHBondContact OG1-CD 3.29Å; T375-R396 WeakPolarHBondContact OG1-CG 3.49Å
376L98.3Very high97.5Very high1 Ų125.9 Ų25.91%0.00513%0.133CC..Hα-helixtrans-60.6-43.3176.4-63.7179.5000111.4S77 V80 L81 P270 F343 M346 I372 I373 I379 G380S77-L376 WeakPolarHBondContact OG-CD2 3.46Å; V80-L376 HydrophobicContact CB-CD1 4.18Å; V80-L376 HydrophobicContact CG1-CD1 3.84Å; L81-L376 HydrophobicContact CD1-CD1 4.4Å; L81-L376 HydrophobicContact CD2-CD1 3.79Å; L81-L376 HydrophobicContact CG-CD1 3.66Å; P270-L376 HydrophobicContact CG-CB 3.99Å; F343-L376 HydrophobicContact CD2-CD2 3.95Å; F343-L376 HydrophobicContact CE2-CD2 3.53Å; M346-L376 HydrophobicContact CE-CD2 3.42Å; M346-L376 VanDerWaalsContact CE-CD2 3.42Å; M346-L376 HydrophobicContact CE-CG 4.22Å; M346-L376 HydrophobicContact SD-CD2 4.4Å; I372-L376 HydrophobicContact CG2-CD1 4.06Å; I372-L376 HydrophobicContact CG2-CG 4.46Å; I372-L376 VanDerWaalsContact O-CG 3.32Å; I372-L376 WeakPolarHBondContact O-CG 3.37Å; I372-L376 PolarHBondContact O-N 3.43Å; I373-L376 PolarHBondContact O-N 2.87Å; L376-I379 PolarHBondContact O-N 3.47Å; L376-G380 PolarHBondContact O-N 3.46Å
377T98.1Very high97.3Very high16 Ų1626 Ų2610%0.09814%0.139CC..Hα-helixtrans-62.4-45.4176.9-54.50000111.3E269 I373 L374 T375 G380 F381 M392E269-T377 HydrophobicContact CG-CG2 4.41Å; I373-T377 WeakPolarHBondContact O-CB 3.24Å; I373-T377 PolarHBondContact O-N 3.49Å; I373-T377 PolarHBondContact O-OG1 2.98Å; L374-T377 PolarHBondContact O-N 3Å; T375-T377 VanDerWaalsContact C-N 3.32Å; T375-T377 PolarHBondContact O-N 3.32Å; T377-G380 PolarHBondContact O-N 2.84Å; T377-F381 HydrophobicContact CG2-CD2 3.96Å; T377-F381 HydrophobicContact CG2-CE2 3.7Å; T377-F381 WeakPolarHBondContact O-CD2 3.36Å; T377-F381 PolarHBondContact O-N 3.45Å; T377-M392 HydrophobicContact CG2-CE 4.46Å
378S98.3Very high97.1Very high0 Ų030.5 Ų30.50%016%0.157CC..Hα-helixtrans-64.1-42.4179.8-160.80000112.4L374 T375 G380 F381 L382 E393L374-S378 VanDerWaalsContact O-CB 3.31Å; L374-S378 WeakPolarHBondContact O-CB 3.27Å; L374-S378 PolarHBondContact O-N 3.29Å; T375-S378 PolarHBondContact O-N 3.22Å; S378-G380 VanDerWaalsContact C-N 3.34Å; S378-G380 PolarHBondContact O-N 3.17Å; S378-F381 WeakPolarHBondContact O-CB 3.42Å; S378-F381 PolarHBondContact O-N 3.29Å; S378-L382 WeakPolarHBondContact O-CG 3.25Å; S378-L382 PolarHBondContact O-N 3.19Å; S378-E393 VanDerWaalsContact CB-OE2 3.23Å; S378-E393 WeakPolarHBondContact CB-OE2 3.18Å; S378-E393 VanDerWaalsContact OG-CA 3.25Å; S378-E393 WeakPolarHBondContact OG-CA 3.42Å; S378-E393 PolarHBondContact OG-N 3.49Å; S378-E393 PolarHBondContact OG-OE2 2.55Å
379I98.2Very high97.1Very high4 Ų430.7 Ų30.72%0.02116%0.159CC..Hα-helixtrans-58.4-47.5174.5-73.4165.6000110.6T339 F343 T375 L376 F381 L382 L383T339-I379 HydrophobicContact CG2-CG1 4.5Å; T339-I379 HydrophobicContact CG2-CG2 4.2Å; F343-I379 HydrophobicContact CB-CD1 3.82Å; F343-I379 HydrophobicContact CD2-CD1 3.92Å; F343-I379 HydrophobicContact CG-CD1 4.39Å; T375-I379 HydrophobicContact CG2-CD1 3.93Å; T375-I379 WeakPolarHBondContact O-CG1 3.48Å; T375-I379 PolarHBondContact O-N 3.02Å; L376-I379 PolarHBondContact O-N 3.47Å; I379-F381 VanDerWaalsContact C-N 3.33Å; I379-F381 PolarHBondContact O-N 3.21Å; I379-L382 PolarHBondContact O-N 2.91Å; I379-L383 HydrophobicContact CG2-CD1 4.03Å; I379-L383 HydrophobicContact CG2-CG 4.41Å; I379-L383 WeakPolarHBondContact O-CG 3.27Å; I379-L383 PolarHBondContact O-N 2.79Å
380G98Very high97.1Very high2 Ų230.7 Ų30.72%0.02116%0.16CC..Hα-helixtrans-58.9-42.1175.800000112.8L376 T377 S378 L382 L383 D384L376-G380 PolarHBondContact O-N 3.46Å; T377-G380 PolarHBondContact O-N 2.84Å; S378-G380 VanDerWaalsContact C-N 3.34Å; S378-G380 PolarHBondContact O-N 3.17Å; G380-L382 PolarHBondContact O-N 2.9Å; G380-L383 PolarHBondContact O-N 3.4Å; G380-D384 VanDerWaalsContact O-CB 3.27Å; G380-D384 WeakPolarHBondContact O-CB 3.41Å; G380-D384 PolarHBondContact O-N 3.47Å
381F98Very high97Very high28 Ų2830.4 Ų30.412%0.12315%0.154CC..Hα-helixtrans-62.3-40.3175.4-89.6-127.7000112.8E269 T377 S378 I379 Q385 R386 K388 A389 M392E269-F381 HydrophobicContact CB-CD2 4.45Å; E269-F381 HydrophobicContact CG-CD2 3.51Å; E269-F381 HydrophobicContact CG-CE2 3.42Å; E269-F381 VanDerWaalsContact CG-CE2 3.42Å; T377-F381 HydrophobicContact CG2-CD2 3.96Å; T377-F381 HydrophobicContact CG2-CE2 3.7Å; T377-F381 WeakPolarHBondContact O-CD2 3.36Å; T377-F381 PolarHBondContact O-N 3.45Å; S378-F381 WeakPolarHBondContact O-CB 3.42Å; S378-F381 PolarHBondContact O-N 3.29Å; I379-F381 VanDerWaalsContact C-N 3.33Å; I379-F381 PolarHBondContact O-N 3.21Å; F381-Q385 PolarHBondContact O-N 2.93Å; F381-Q385 VanDerWaalsContact O-N 3.12Å; F381-R386 HydrophobicContact CB-CB 4.45Å; F381-R386 HydrophobicContact CD1-CB 3.91Å; F381-R386 HydrophobicContact CD1-CG 4.37Å; F381-R386 HydrophobicContact CG-CB 4.27Å; F381-R386 HydrophobicContact CG-CG 4.37Å; F381-R386 PolarHBondContact O-N 2.64Å; F381-K388 HydrophobicContact CE1-CB 4.25Å; F381-A389 HydrophobicContact CB-CB 3.93Å; F381-A389 WeakPolarHBondContact O-CB 3.46Å; F381-M392 HydrophobicContact CD1-CB 4.38Å; F381-M392 HydrophobicContact CE1-CE 4.19Å; F381-M392 HydrophobicContact CZ-CE 4.17Å
382L98.1Very high97Very high2 Ų232.3 Ų32.31%0.0116%0.164CC..Hα-helixtrans-67.4-43.3177.4-69.7170.7000111.6L335 Y338 T339 S378 I379 G380 Q385 A389 E393 W431L335-L382 HydrophobicContact CD1-CB 4.43Å; L335-L382 HydrophobicContact CD1-CD1 4.42Å; L335-L382 HydrophobicContact CD1-CD2 4.25Å; L335-L382 HydrophobicContact CD2-CB 4.48Å; Y338-L382 HydrophobicContact CD1-CD1 4.24Å; Y338-L382 HydrophobicContact CE1-CD1 3.99Å; T339-L382 HydrophobicContact CG2-CB 4.08Å; T339-L382 HydrophobicContact CG2-CD1 4.12Å; S378-L382 WeakPolarHBondContact O-CG 3.25Å; S378-L382 PolarHBondContact O-N 3.19Å; I379-L382 PolarHBondContact O-N 2.91Å; G380-L382 PolarHBondContact O-N 2.9Å; L382-Q385 PolarHBondContact O-N 3.28Å; L382-Q385 VanDerWaalsContact O-N 3.13Å; L382-A389 HydrophobicContact CD2-CB 3.94Å; L382-A389 HydrophobicContact CG-CB 4.45Å; L382-E393 HydrophobicContact CD1-CG 4.12Å; L382-W431 HydrophobicContact CD1-CZ2 4.44Å; L382-W431 HydrophobicContact CD2-CH2 3.39Å; L382-W431 HydrophobicContact CD2-CZ2 3.93Å; L382-W431 HydrophobicContact CD2-CZ3 3.73Å
383L97.8Very high97Very high3 Ų332.3 Ų32.32%0.01616%0.163CC..Hα-helixtrans-67.3-38.7177.3-67.3178.1000111.9D70 L73 F268 S329 K336 T339 I379 G380 Q385D70-L383 HydrophobicContact CB-CD1 4.02Å; L73-L383 HydrophobicContact CD1-CD1 4.21Å; F268-L383 HydrophobicContact CB-CB 4.06Å; F268-L383 HydrophobicContact CB-CD1 4.31Å; F268-L383 HydrophobicContact CD2-CB 3.75Å; F268-L383 HydrophobicContact CG-CB 4.11Å; F268-L383 HydrophobicContact CG-CD1 4.49Å; S329-L383 VanDerWaalsContact CB-O 3.27Å; S329-L383 WeakPolarHBondContact CB-O 3.4Å; S329-L383 PolarHBondContact OG-O 3.43Å; K336-L383 HydrophobicContact CG-CD2 4.43Å; T339-L383 HydrophobicContact CG2-CD2 4.2Å; T339-L383 HydrophobicContact CG2-CG 4.36Å; I379-L383 HydrophobicContact CG2-CD1 4.03Å; I379-L383 HydrophobicContact CG2-CG 4.41Å; I379-L383 WeakPolarHBondContact O-CG 3.27Å; I379-L383 PolarHBondContact O-N 2.79Å; G380-L383 PolarHBondContact O-N 3.4Å; L383-Q385 PolarHBondContact O-N 2.5Å
384D97.3Very high97Very high31 Ų3130.4 Ų30.417%0.16616%0.155CC..THydrogen-bonded Turntrans-70.5-10.9172.7-82.2-0.4000113.3T267 F268 G380 R386T267-D384 WeakPolarHBondContact CA-OD1 3.45Å; T267-D384 PolarHBondContact OG1-OD2 2.99Å; F268-D384 VanDerWaalsContact CD2-OD1 3.25Å; F268-D384 WeakPolarHBondContact CD2-OD1 3.49Å; F268-D384 PolarHBondContact N-OD1 3.4Å; G380-D384 VanDerWaalsContact O-CB 3.27Å; G380-D384 WeakPolarHBondContact O-CB 3.41Å; G380-D384 PolarHBondContact O-N 3.47Å; D384-R386 HydrophobicContact CB-CG 3.55Å; D384-R386 PolarHBondContact O-N 2.94Å; D384-R386 IonicContact OD2-CZ 2.64Å; D384-R386 IonicContact OD2-NE 2.97Å; D384-R386 PolarHBondContact OD2-NE 2.95Å; D384-R386 IonicContact OD2-NH2 2.82Å; D384-R386 PolarHBondContact OD2-NH2 3.18Å
385Q95.7Very high96.9Very high90 Ų9033.3 Ų33.342%0.42117%0.17SC..THydrogen-bonded Turntrans53.137.7-171.5-62.6-86.239.900112.2F381 L382 L383F381-Q385 PolarHBondContact O-N 2.93Å; F381-Q385 VanDerWaalsContact O-N 3.12Å; L382-Q385 PolarHBondContact O-N 3.28Å; L382-Q385 VanDerWaalsContact O-N 3.13Å; L383-Q385 PolarHBondContact O-N 2.5Å
386R94.9Very high96.9Very high62 Ų6233.4 Ų33.423%0.23417%0.17CC..  trans-62.7145.6-179-65.4-166.9-179.9-168.80.2109.7T267 E269 F381 D384 K388 A389T267-R386 PolarHBondContact OG1-NH2 3.43Å; E269-R386 IonicContact OE2-NH1 3.35Å; E269-R386 IonicContact OE2-NH2 2.71Å; F381-R386 HydrophobicContact CB-CB 4.45Å; F381-R386 HydrophobicContact CD1-CB 3.91Å; F381-R386 HydrophobicContact CD1-CG 4.37Å; F381-R386 HydrophobicContact CG-CB 4.27Å; F381-R386 HydrophobicContact CG-CG 4.37Å; F381-R386 PolarHBondContact O-N 2.64Å; D384-R386 HydrophobicContact CB-CG 3.55Å; D384-R386 PolarHBondContact O-N 2.94Å; D384-R386 IonicContact OD2-CZ 2.64Å; D384-R386 IonicContact OD2-NE 2.97Å; D384-R386 PolarHBondContact OD2-NE 2.95Å; D384-R386 IonicContact OD2-NH2 2.82Å; D384-R386 PolarHBondContact OD2-NH2 3.18Å; R386-K388 VanDerWaalsContact C-N 3.29Å; R386-K388 PolarHBondContact O-N 2.82Å; R386-A389 WeakPolarHBondContact O-CB 3.38Å; R386-A389 PolarHBondContact O-N 2.97Å
387P92.1Very high96.9Very high99 Ų9933.3 Ų33.364%0.64317%0.17SC*.THydrogen-bonded Turntrans-50.3-51.2176.5-28.234.4000111.2A389 Q438P387-A389 PolarHBondContact O-N 3.41Å; P387-Q438 PolarHBondContact O-NE2 3.14Å; P387-Q438 PolarHBondContact O-OE1 3.02Å
388K94.1Very high96.9Very high143 Ų14336.6 Ų36.662%0.62219%0.186SC*.THydrogen-bonded Turntrans-74.98.6-175.7-62.5-178.3179.2-1800115F381 R386 A390 I391 M392F381-K388 HydrophobicContact CE1-CB 4.25Å; R386-K388 VanDerWaalsContact C-N 3.29Å; R386-K388 PolarHBondContact O-N 2.82Å; K388-A390 PolarHBondContact O-N 2.74Å; K388-I391 PolarHBondContact O-N 3.17Å; K388-M392 PolarHBondContact O-N 2.99Å; K388-M392 VanDerWaalsContact O-N 3.07Å
389A96.3Very high96.8Very high6 Ų638.5 Ų38.55%0.0520%0.195CC..Hα-helixtrans-62.2-40.3-174.600000113F381 L382 R386 P387 I391 M392 E393F381-A389 HydrophobicContact CB-CB 3.93Å; F381-A389 WeakPolarHBondContact O-CB 3.46Å; L382-A389 HydrophobicContact CD2-CB 3.94Å; L382-A389 HydrophobicContact CG-CB 4.45Å; R386-A389 WeakPolarHBondContact O-CB 3.38Å; R386-A389 PolarHBondContact O-N 2.97Å; P387-A389 PolarHBondContact O-N 3.41Å; A389-I391 VanDerWaalsContact C-N 3.32Å; A389-I391 PolarHBondContact O-N 2.94Å; A389-M392 PolarHBondContact O-N 3.34Å; A389-E393 WeakPolarHBondContact O-CB 3.25Å; A389-E393 PolarHBondContact O-N 3.25Å
390A96.4Very high96.7Very high9 Ų938.3 Ų38.37%0.07419%0.194CC..Hα-helixtrans-62.9-39.217800000112.4K388 E393 T394 W431 R434 S435K388-A390 PolarHBondContact O-N 2.74Å; A390-E393 PolarHBondContact O-N 3.4Å; A390-T394 WeakPolarHBondContact O-CB 3.35Å; A390-T394 PolarHBondContact O-N 3.45Å; A390-T394 PolarHBondContact O-OG1 3.37Å; A390-W431 HydrophobicContact CB-CE3 3.97Å; A390-W431 HydrophobicContact CB-CZ3 4.49Å; A390-R434 HydrophobicContact CB-CB 3.83Å; A390-S435 PolarHBondContact O-OG 3.21Å
391I96.1Very high96.6Very high49 Ų4939 Ų3925%0.25120%0.198SC..Hα-helixtrans-65.5-48.5178.1-63.9167.1000109.5K388 A389 E393 T394 L395 S435 L439K388-I391 PolarHBondContact O-N 3.17Å; A389-I391 VanDerWaalsContact C-N 3.32Å; A389-I391 PolarHBondContact O-N 2.94Å; I391-E393 VanDerWaalsContact C-N 3.28Å; I391-E393 PolarHBondContact O-N 3.07Å; I391-T394 PolarHBondContact O-N 3.42Å; I391-L395 HydrophobicContact CG2-CD1 4.18Å; I391-L395 WeakPolarHBondContact O-CG 3.22Å; I391-L395 PolarHBondContact O-N 3.43Å; I391-S435 WeakPolarHBondContact CA-OG 3.29Å; I391-S435 PolarHBondContact N-OG 3.05Å; I391-S435 VanDerWaalsContact N-OG 3.13Å; I391-L439 HydrophobicContact CD1-CD2 4.15Å; I391-L439 HydrophobicContact CD1-CG 4.33Å
392M96.6Very high96.6Very high44 Ų4441.1 Ų41.122%0.21721%0.209CC..Hα-helixtrans-57.9-43.3178.4-167.661.57200111.6L374 T377 F381 K388 A389 L395 R396L374-M392 HydrophobicContact CD1-CG 4.27Å; L374-M392 HydrophobicContact CD1-SD 3.32Å; L374-M392 WeakPolarHBondContact CD1-SD 3.46Å; T377-M392 HydrophobicContact CG2-CE 4.46Å; F381-M392 HydrophobicContact CD1-CB 4.38Å; F381-M392 HydrophobicContact CE1-CE 4.19Å; F381-M392 HydrophobicContact CZ-CE 4.17Å; K388-M392 PolarHBondContact O-N 2.99Å; K388-M392 VanDerWaalsContact O-N 3.07Å; A389-M392 PolarHBondContact O-N 3.34Å; M392-L395 PolarHBondContact O-N 3.04Å; M392-R396 WeakPolarHBondContact O-CB 3.41Å; M392-R396 PolarHBondContact O-N 3.27Å
393E97.8Very high96.5Very high0 Ų041 Ų410%021%0.208CC..Hα-helixtrans-71.2-34.1-178.2-170.660.7-174.100113Y338 S378 L382 A389 A390 I391 R396 C397 W431Y338-E393 HydrophobicContact CE1-CG 4.35Å; Y338-E393 WeakPolarHBondContact CE1-OE1 3.32Å; Y338-E393 PolarHBondContact OH-OE1 3.36Å; S378-E393 VanDerWaalsContact CB-OE2 3.23Å; S378-E393 WeakPolarHBondContact CB-OE2 3.18Å; S378-E393 VanDerWaalsContact OG-CA 3.25Å; S378-E393 WeakPolarHBondContact OG-CA 3.42Å; S378-E393 PolarHBondContact OG-N 3.49Å; S378-E393 PolarHBondContact OG-OE2 2.55Å; L382-E393 HydrophobicContact CD1-CG 4.12Å; A389-E393 WeakPolarHBondContact O-CB 3.25Å; A389-E393 PolarHBondContact O-N 3.25Å; A390-E393 PolarHBondContact O-N 3.4Å; I391-E393 VanDerWaalsContact C-N 3.28Å; I391-E393 PolarHBondContact O-N 3.07Å; E393-R396 PolarHBondContact O-N 3.33Å; E393-R396 IonicContact OE1-CZ 2.88Å; E393-R396 IonicContact OE1-NE 3.88Å; E393-R396 PolarHBondContact OE1-NE 2.97Å; E393-R396 IonicContact OE1-NH2 2.9Å; E393-R396 PolarHBondContact OE1-NH2 3.27Å; E393-R396 WeakPolarHBondContact OE2-CD 3.44Å; E393-R396 IonicContact OE2-CZ 2.75Å; E393-R396 IonicContact OE2-NE 2.93Å; E393-R396 PolarHBondContact OE2-NE 2.9Å; E393-R396 IonicContact OE2-NH2 3.36Å; E393-C397 PolarHBondContact O-N 2.69Å; E393-C397 PolarHBondContact O-SG 3.22Å; E393-W431 HydrophobicContact CB-CB 4.45Å; E393-W431 HydrophobicContact CB-CD2 4.05Å; E393-W431 HydrophobicContact CB-CE3 4.49Å; E393-W431 HydrophobicContact CB-CG 4.01Å; E393-W431 HydrophobicContact CG-CB 4.47Å; E393-W431 HydrophobicContact CG-CD2 3.73Å; E393-W431 HydrophobicContact CG-CG 3.64Å; E393-W431 HydrophobicContact CG-CZ2 4.25Å; E393-W431 VanDerWaalsContact CG-NE1 3.28Å
394T97.5Very high96.3Very high18 Ų1841.5 Ų41.511%0.1121%0.21CC..Hα-helixtrans-63-46.8172.1-55.30000110.6A390 I391 C397 L398 I428 W431 G432 S435A390-T394 WeakPolarHBondContact O-CB 3.35Å; A390-T394 PolarHBondContact O-N 3.45Å; A390-T394 PolarHBondContact O-OG1 3.37Å; I391-T394 PolarHBondContact O-N 3.42Å; T394-C397 PolarHBondContact O-N 2.94Å; T394-L398 HydrophobicContact CG2-CD1 4.12Å; T394-L398 WeakPolarHBondContact O-CB 3.23Å; T394-L398 WeakPolarHBondContact O-CG 3.36Å; T394-L398 PolarHBondContact O-N 2.94Å; T394-I428 HydrophobicContact CG2-CG2 4.42Å; T394-W431 VanDerWaalsContact OG1-CB 3.25Å; T394-W431 WeakPolarHBondContact OG1-CB 3.43Å; T394-W431 PolarHBondContact OG1-O 3.45Å; T394-G432 PolarHBondContact OG1-N 2.93Å; T394-S435 PolarHBondContact OG1-OG 3.36Å
395L97.2Very high96Very high92 Ų9247.7 Ų47.748%0.48223%0.231SC..Hα-helixtrans-62.2-42.9177.1-68.7172.3000111.8I391 M392 C397 L398 M399I391-L395 HydrophobicContact CG2-CD1 4.18Å; I391-L395 WeakPolarHBondContact O-CG 3.22Å; I391-L395 PolarHBondContact O-N 3.43Å; M392-L395 PolarHBondContact O-N 3.04Å; L395-C397 PolarHBondContact O-N 3.31Å; L395-L398 PolarHBondContact O-N 3.33Å; L395-M399 WeakPolarHBondContact O-CB 3.38Å; L395-M399 PolarHBondContact O-N 3.02Å
396R98Very high96Very high2 Ų250.6 Ų50.61%0.00824%0.243CC..Hα-helixtrans-58.4-47.1175.6-173.4-162.769.383.20.5111.8Q342 F371 L374 T375 M392 E393 M399 F400Q342-R396 VanDerWaalsContact OE1-CZ 3.3Å; F371-R396 HydrophobicContact CE2-CG 4.32Å; L374-R396 HydrophobicContact CD2-CB 4.15Å; L374-R396 HydrophobicContact CG-CB 4.02Å; L374-R396 HydrophobicContact CG-CG 4.24Å; T375-R396 VanDerWaalsContact CA-CD 3.46Å; T375-R396 WeakPolarHBondContact OG1-CD 3.29Å; T375-R396 WeakPolarHBondContact OG1-CG 3.49Å; M392-R396 WeakPolarHBondContact O-CB 3.41Å; M392-R396 PolarHBondContact O-N 3.27Å; E393-R396 PolarHBondContact O-N 3.33Å; E393-R396 IonicContact OE1-CZ 2.88Å; E393-R396 IonicContact OE1-NE 3.88Å; E393-R396 PolarHBondContact OE1-NE 2.97Å; E393-R396 IonicContact OE1-NH2 2.9Å; E393-R396 PolarHBondContact OE1-NH2 3.27Å; E393-R396 WeakPolarHBondContact OE2-CD 3.44Å; E393-R396 IonicContact OE2-CZ 2.75Å; E393-R396 IonicContact OE2-NE 2.93Å; E393-R396 PolarHBondContact OE2-NE 2.9Å; E393-R396 IonicContact OE2-NH2 3.36Å; R396-M399 PolarHBondContact O-N 2.99Å; R396-F400 PolarHBondContact O-N 2.96Å
397C98Very high95.8Very high0 Ų050.1 Ų50.10%026%0.257CS..Hα-helixtrans-69.2-38-178.9-63.70000112.4E393 T394 L395 M399 F400 L401 F424 C427 I428E393-C397 PolarHBondContact O-N 2.69Å; E393-C397 PolarHBondContact O-SG 3.22Å; T394-C397 PolarHBondContact O-N 2.94Å; L395-C397 PolarHBondContact O-N 3.31Å; C397-M399 VanDerWaalsContact C-N 3.34Å; C397-F400 WeakPolarHBondContact O-CB 3.37Å; C397-F400 PolarHBondContact O-N 3.29Å; C397-L401 PolarHBondContact O-N 3.02Å; C397-L401 VanDerWaalsContact O-N 3.09Å; C397-F424 HydrophobicContact CB-CD1 3.88Å; C397-C427 HydrophobicContact CB-CB 4.36Å; C397-I428 HydrophobicContact CB-CD1 4.2Å; C397-I428 HydrophobicContact CB-CG1 3.44Å; C397-I428 VanDerWaalsContact CB-CG1 3.44Å
398L97.5Very high95.9Very high85 Ų8547.4 Ų47.445%0.44524%0.235SC..Hα-helixtrans-60.3-44.9172.4-77.9166.8000111.3T394 L395 F400 L401 M402 I428T394-L398 HydrophobicContact CG2-CD1 4.12Å; T394-L398 WeakPolarHBondContact O-CB 3.23Å; T394-L398 WeakPolarHBondContact O-CG 3.36Å; T394-L398 PolarHBondContact O-N 2.94Å; L395-L398 PolarHBondContact O-N 3.33Å; L398-F400 VanDerWaalsContact C-N 3.35Å; L398-L401 PolarHBondContact O-N 3.37Å; L398-M402 WeakPolarHBondContact O-CB 3.24Å; L398-M402 PolarHBondContact O-N 2.82Å; L398-I428 HydrophobicContact CD2-CD1 3.83Å; L398-I428 HydrophobicContact CD2-CG1 4.31Å; L398-I428 HydrophobicContact CD2-CG2 4.05Å; L398-I428 HydrophobicContact CG-CD1 4.08Å; L398-I428 HydrophobicContact CG-CG1 4.14Å; L398-I428 HydrophobicContact CG-CG2 4.25Å
399M97.3Very high95.7Very high39 Ų3940.7 Ų40.719%0.19221%0.206CC..Hα-helixtrans-65.6-39.3178.8-163.6164.585.600111.8C370 F371 L374 L395 R396 C397 M402 L403C370-M399 HydrophobicContact CB-CE 4.42Å; F371-M399 HydrophobicContact CB-CE 3.55Å; F371-M399 HydrophobicContact CD2-CE 4.02Å; F371-M399 HydrophobicContact CG-CE 4.3Å; F371-M399 VanDerWaalsContact N-CE 3.3Å; L374-M399 HydrophobicContact CB-CE 3.95Å; L374-M399 HydrophobicContact CD2-CB 4.24Å; L374-M399 HydrophobicContact CD2-CE 3.48Å; L374-M399 VanDerWaalsContact CD2-CE 3.48Å; L374-M399 HydrophobicContact CD2-SD 3.86Å; L374-M399 HydrophobicContact CG-CE 4.35Å; L395-M399 WeakPolarHBondContact O-CB 3.38Å; L395-M399 PolarHBondContact O-N 3.02Å; R396-M399 PolarHBondContact O-N 2.99Å; C397-M399 VanDerWaalsContact C-N 3.34Å; M399-M402 HydrophobicContact CG-CE 4.25Å; M399-M402 PolarHBondContact O-N 3.35Å; M399-L403 HydrophobicContact CG-CD1 4.18Å; M399-L403 HydrophobicContact CG-CG 4.31Å; M399-L403 WeakPolarHBondContact O-CB 3.25Å; M399-L403 VanDerWaalsContact O-CG 3.27Å; M399-L403 WeakPolarHBondContact O-CG 3.27Å; M399-L403 PolarHBondContact O-N 2.88Å
400F96.8Very high95.2Very high0 Ų045.3 Ų45.30%023%0.225CC..Hα-helixtrans-55.3-55.5171.7177-94.1000111.4F349 F371 R396 C397 L398 M402 L403 Y404 L409 F420 F424F349-F400 HydrophobicContact CD2-CE2 4.43Å; F349-F400 HydrophobicContact CE2-CD2 4.42Å; F349-F400 AromaticContact CE2-CE2 3.5Å; F349-F400 HydrophobicContact CE2-CE2 3.5Å; F349-F400 VanDerWaalsContact CE2-CE2 3.5Å; F349-F400 HydrophobicContact CE2-CZ 4.28Å; F349-F400 AromaticContact CZ-CE2 3.66Å; F349-F400 HydrophobicContact CZ-CE2 3.66Å; F349-F400 HydrophobicContact CZ-CZ 4.16Å; F371-F400 HydrophobicContact CE1-CD2 4.29Å; F371-F400 HydrophobicContact CE2-CB 3.75Å; F371-F400 HydrophobicContact CE2-CD2 4.01Å; F371-F400 HydrophobicContact CE2-CG 4.38Å; F371-F400 HydrophobicContact CZ-CB 4.23Å; F371-F400 AromaticContact CZ-CD2 3.62Å; F371-F400 HydrophobicContact CZ-CD2 3.62Å; F371-F400 HydrophobicContact CZ-CG 4.39Å; R396-F400 PolarHBondContact O-N 2.96Å; C397-F400 WeakPolarHBondContact O-CB 3.37Å; C397-F400 PolarHBondContact O-N 3.29Å; L398-F400 VanDerWaalsContact C-N 3.35Å; F400-M402 VanDerWaalsContact C-N 3.27Å; F400-M402 PolarHBondContact O-N 3.32Å; F400-L403 PolarHBondContact O-N 2.92Å; F400-Y404 HydrophobicContact CE1-CD2 4.17Å; F400-Y404 HydrophobicContact CE1-CG 4.14Å; F400-Y404 HydrophobicContact CE2-CD2 4.22Å; F400-Y404 AromaticContact CZ-CD2 3.66Å; F400-Y404 HydrophobicContact CZ-CD2 3.66Å; F400-Y404 HydrophobicContact CZ-CE2 4.2Å; F400-Y404 HydrophobicContact CZ-CG 4.1Å; F400-Y404 WeakPolarHBondContact O-CB 3.48Å; F400-Y404 PolarHBondContact O-N 3.18Å; F400-L409 HydrophobicContact CD2-CD1 3.79Å; F400-L409 HydrophobicContact CE2-CD1 3.98Å; F400-F420 HydrophobicContact CE1-CB 4.35Å; F400-F420 HydrophobicContact CZ-CB 4.38Å; F400-F424 HydrophobicContact CB-CD1 3.6Å; F400-F424 HydrophobicContact CB-CE1 3.48Å; F400-F424 VanDerWaalsContact CB-CE1 3.48Å; F400-F424 HydrophobicContact CB-CG 4.39Å; F400-F424 HydrophobicContact CB-CZ 4.2Å; F400-F424 HydrophobicContact CD1-CB 3.82Å; F400-F424 AromaticContact CD1-CD1 3.3Å; F400-F424 HydrophobicContact CD1-CD1 3.3Å; F400-F424 AromaticContact CD1-CD2 3.38Å; F400-F424 HydrophobicContact CD1-CD2 3.38Å; F400-F424 AromaticContact CD1-CE1 3.56Å; F400-F424 HydrophobicContact CD1-CE1 3.56Å; F400-F424 AromaticContact CD1-CE2 3.63Å; F400-F424 HydrophobicContact CD1-CE2 3.63Å; F400-F424 AromaticContact CD1-CG 3.19Å; F400-F424 HydrophobicContact CD1-CG 3.19Å; F400-F424 AromaticContact CD1-CZ 3.71Å; F400-F424 HydrophobicContact CD1-CZ 3.71Å; F400-F424 HydrophobicContact CD2-CE1 4Å; F400-F424 HydrophobicContact CD2-CE2 4.26Å; F400-F424 AromaticContact CD2-CZ 3.82Å; F400-F424 HydrophobicContact CD2-CZ 3.82Å; F400-F424 HydrophobicContact CE1-CB 4.24Å; F400-F424 HydrophobicContact CE1-CD1 4.13Å; F400-F424 AromaticContact CE1-CD2 3.29Å; F400-F424 HydrophobicContact CE1-CD2 3.29Å; F400-F424 HydrophobicContact CE1-CE1 4.29Å; F400-F424 AromaticContact CE1-CE2 3.49Å; F400-F424 HydrophobicContact CE1-CE2 3.49Å; F400-F424 VanDerWaalsContact CE1-CE2 3.49Å; F400-F424 AromaticContact CE1-CG 3.62Å; F400-F424 HydrophobicContact CE1-CG 3.62Å; F400-F424 AromaticContact CE1-CZ 3.99Å; F400-F424 HydrophobicContact CE1-CZ 3.99Å; F400-F424 HydrophobicContact CE2-CE2 4.15Å; F400-F424 HydrophobicContact CE2-CZ 4.11Å; F400-F424 AromaticContact CG-CD1 3.55Å; F400-F424 HydrophobicContact CG-CD1 3.55Å; F400-F424 HydrophobicContact CG-CD2 4.16Å; F400-F424 AromaticContact CG-CE1 3.36Å; F400-F424 HydrophobicContact CG-CE1 3.36Å; F400-F424 HydrophobicContact CG-CE2 4.01Å; F400-F424 AromaticContact CG-CG 3.94Å; F400-F424 HydrophobicContact CG-CG 3.94Å; F400-F424 AromaticContact CG-CZ 3.6Å; F400-F424 HydrophobicContact CG-CZ 3.6Å; F400-F424 HydrophobicContact CZ-CD2 4.02Å; F400-F424 AromaticContact CZ-CE2 3.76Å; F400-F424 HydrophobicContact CZ-CE2 3.76Å; F400-F424 HydrophobicContact CZ-CZ 4.18Å
401L95.7Very high94.4Very high18 Ų1847.1 Ų47.19%0.09424%0.236CC..Hα-helixtrans-59.2-40-178.7-76.2-172.7000112.4C397 L398 R405 E421 F424 I428C397-L401 PolarHBondContact O-N 3.02Å; C397-L401 VanDerWaalsContact O-N 3.09Å; L398-L401 PolarHBondContact O-N 3.37Å; L401-R405 WeakPolarHBondContact O-CB 3.45Å; L401-R405 WeakPolarHBondContact O-CG 3.45Å; L401-R405 PolarHBondContact O-N 2.7Å; L401-E421 HydrophobicContact CD2-CB 4.29Å; L401-E421 HydrophobicContact CD2-CG 4.27Å; L401-F424 HydrophobicContact CD1-CB 4.47Å; L401-F424 HydrophobicContact CD2-CB 3.64Å; L401-F424 HydrophobicContact CG-CB 3.84Å; L401-I428 HydrophobicContact CD1-CD1 3.28Å; L401-I428 HydrophobicContact CG-CD1 3.98Å
402M96.4Very high93.6Very high71 Ų7148.1 Ų48.135%0.3524%0.242SC..Hα-helixtrans-60.5-55.2176.8-176.8-82.3-73.800110.5L398 M399 F400 Y404 R405 F406L398-M402 WeakPolarHBondContact O-CB 3.24Å; L398-M402 PolarHBondContact O-N 2.82Å; M399-M402 HydrophobicContact CG-CE 4.25Å; M399-M402 PolarHBondContact O-N 3.35Å; F400-M402 VanDerWaalsContact C-N 3.27Å; F400-M402 PolarHBondContact O-N 3.32Å; M402-Y404 VanDerWaalsContact C-N 3.27Å; M402-Y404 PolarHBondContact O-N 2.74Å; M402-R405 PolarHBondContact O-N 3.48Å; M402-F406 HydrophobicContact CG-CD2 3.77Å; M402-F406 HydrophobicContact CG-CE2 3.83Å; M402-F406 WeakPolarHBondContact O-CD2 3.33Å; M402-F406 PolarHBondContact O-N 2.63Å; M402-F406 HydrophobicContact SD-CD2 3.75Å; M402-F406 HydrophobicContact SD-CE2 4.28Å
403L95.9Very high93.1Very high0 Ų049 Ų490%025%0.25CC..Hα-helixtrans-63.1-36.3-179.2-65-179.7000112.5L367 F371 M399 F400 G407 H408 L409L367-L403 HydrophobicContact CB-CD2 3.69Å; L367-L403 HydrophobicContact CD1-CD2 3.89Å; L367-L403 HydrophobicContact CD2-CD2 4.25Å; L367-L403 HydrophobicContact CG-CD2 4.16Å; F371-L403 HydrophobicContact CB-CD1 3.64Å; F371-L403 HydrophobicContact CG-CD1 4.15Å; M399-L403 HydrophobicContact CG-CD1 4.18Å; M399-L403 HydrophobicContact CG-CG 4.31Å; M399-L403 WeakPolarHBondContact O-CB 3.25Å; M399-L403 VanDerWaalsContact O-CG 3.27Å; M399-L403 WeakPolarHBondContact O-CG 3.27Å; M399-L403 PolarHBondContact O-N 2.88Å; F400-L403 PolarHBondContact O-N 2.92Å; L403-G407 PolarHBondContact O-N 3.29Å; L403-H408 HydrophobicContact CB-CB 4.09Å; L403-H408 HydrophobicContact CD2-CB 3.88Å; L403-H408 WeakPolarHBondContact O-CA 3.36Å; L403-H408 WeakPolarHBondContact O-CB 3.18Å; L403-H408 PolarHBondContact O-N 3.14Å; L403-L409 HydrophobicContact CB-CD1 3.81Å; L403-L409 HydrophobicContact CB-CG 3.86Å; L403-L409 HydrophobicContact CD1-CD1 4.29Å; L403-L409 PolarHBondContact O-N 2.7Å
404Y93.7Very high92.5Very high13 Ų1353.9 Ų53.95%0.05128%0.281CS..Hα-helixtrans-67-46.9178.6-162.9-97.1000111.7F400 M402 G407 L409 P411 S417 E421F400-Y404 HydrophobicContact CE1-CD2 4.17Å; F400-Y404 HydrophobicContact CE1-CG 4.14Å; F400-Y404 HydrophobicContact CE2-CD2 4.22Å; F400-Y404 AromaticContact CZ-CD2 3.66Å; F400-Y404 HydrophobicContact CZ-CD2 3.66Å; F400-Y404 HydrophobicContact CZ-CE2 4.2Å; F400-Y404 HydrophobicContact CZ-CG 4.1Å; F400-Y404 WeakPolarHBondContact O-CB 3.48Å; F400-Y404 PolarHBondContact O-N 3.18Å; M402-Y404 VanDerWaalsContact C-N 3.27Å; M402-Y404 PolarHBondContact O-N 2.74Å; Y404-G407 PolarHBondContact O-N 3.07Å; Y404-L409 HydrophobicContact CD2-CB 4.1Å; Y404-P411 WeakPolarHBondContact OH-CA 3.3Å; Y404-P411 WeakPolarHBondContact OH-CB 3.41Å; Y404-S417 VanDerWaalsContact CE1-OG 3.24Å; Y404-S417 WeakPolarHBondContact CE1-OG 3.43Å; Y404-S417 VanDerWaalsContact OH-CA 3.22Å; Y404-S417 WeakPolarHBondContact OH-CA 3.24Å; Y404-S417 WeakPolarHBondContact OH-CB 3.26Å; Y404-S417 PolarHBondContact OH-OG 3.3Å; Y404-E421 HydrophobicContact CD1-CG 3.98Å; Y404-E421 HydrophobicContact CE1-CG 4.13Å
405R92.6Very high92.1Very high161 Ų16158 Ų5861%0.60831%0.31SS*.Hα-helixtrans-69.4-35.7179.8-75.9-176.6171.2-1790.5114L401 M402 G407 E421L401-R405 WeakPolarHBondContact O-CB 3.45Å; L401-R405 WeakPolarHBondContact O-CG 3.45Å; L401-R405 PolarHBondContact O-N 2.7Å; M402-R405 PolarHBondContact O-N 3.48Å; R405-G407 PolarHBondContact O-N 3.41Å; R405-E421 IonicContact CZ-OE2 3.25Å; R405-E421 IonicContact NE-OE2 2.91Å; R405-E421 PolarHBondContact NE-OE2 3.21Å; R405-E421 IonicContact NH2-OE2 2.76Å; R405-E421 PolarHBondContact NH2-OE2 2.96Å
406F94Very high91.7Very high152 Ų15257.5 Ų57.567%0.66731%0.308SS*.THydrogen-bonded Turntrans-81.65.9176.4-69.4-64.5000113.2M402 H408M402-F406 HydrophobicContact CG-CD2 3.77Å; M402-F406 HydrophobicContact CG-CE2 3.83Å; M402-F406 WeakPolarHBondContact O-CD2 3.33Å; M402-F406 PolarHBondContact O-N 2.63Å; M402-F406 HydrophobicContact SD-CD2 3.75Å; M402-F406 HydrophobicContact SD-CE2 4.28Å; F406-H408 PolarHBondContact O-N 2.57Å
407G91.5Very high91.3Very high51 Ų5158.9 Ų58.953%0.52632%0.318SS..THydrogen-bonded Turntrans73.113176.600000114.3L403 Y404 R405L403-G407 PolarHBondContact O-N 3.29Å; Y404-G407 PolarHBondContact O-N 3.07Å; R405-G407 PolarHBondContact O-N 3.41Å
408H93.2Very high90.9Very high43 Ų4363 Ų6320%0.19935%0.347CS..SBendtrans-74.3-27171.9-67.3-61.1000111.8T364 R368 L403 F406T364-H408 HydrophobicContact CG2-CB 4.05Å; T364-H408 PolarHBondContact OG1-ND1 2.98Å; R368-H408 PolarHBondContact NE-O 2.89Å; R368-H408 PolarHBondContact NH2-O 2.65Å; L403-H408 HydrophobicContact CB-CB 4.09Å; L403-H408 HydrophobicContact CD2-CB 3.88Å; L403-H408 WeakPolarHBondContact O-CA 3.36Å; L403-H408 WeakPolarHBondContact O-CB 3.18Å; L403-H408 PolarHBondContact O-N 3.14Å; F406-H408 PolarHBondContact O-N 2.57Å
409L90.8Very high90.6Very high2 Ų261.2 Ų61.21%0.0134%0.344CS..SBendtrans-114.5127.5167.7-66.7173.4000109.1F349 R368 F371 F400 L403 Y404F349-L409 HydrophobicContact CB-CD2 4.35Å; F349-L409 HydrophobicContact CD1-CB 4.38Å; F349-L409 HydrophobicContact CD1-CD2 3.81Å; F349-L409 HydrophobicContact CE1-CB 4.09Å; F349-L409 HydrophobicContact CE1-CD2 4.35Å; F349-L409 HydrophobicContact CG-CD2 4.15Å; R368-L409 HydrophobicContact CG-CD2 3.93Å; F371-L409 HydrophobicContact CD1-CD1 4.1Å; F371-L409 HydrophobicContact CE1-CD1 4.13Å; F371-L409 HydrophobicContact CG-CD1 4.5Å; F400-L409 HydrophobicContact CD2-CD1 3.79Å; F400-L409 HydrophobicContact CE2-CD1 3.98Å; L403-L409 HydrophobicContact CB-CD1 3.81Å; L403-L409 HydrophobicContact CB-CG 3.86Å; L403-L409 HydrophobicContact CD1-CD1 4.29Å; L403-L409 PolarHBondContact O-N 2.7Å; Y404-L409 HydrophobicContact CD2-CB 4.1Å
410K85.1Confident90.4Very high102 Ų10261.2 Ų61.244%0.44334%0.343SS..  trans-86148.4178.4-67.7176-173.3160.20110.1F349 D356 L412F349-K410 WeakPolarHBondContact CE1-O 3.5Å; D356-K410 IonicContact OD2-NZ 2.88Å; D356-K410 PolarHBondContact OD2-NZ 3.04Å; K410-L412 PolarHBondContact O-N 3.33Å
411P80.3Confident90.2Very high47 Ų4763.6 Ų63.631%0.30535%0.354SS..  trans-56.1124.8167.62.9-7.5000110.6Y404 V413Y404-P411 WeakPolarHBondContact OH-CA 3.3Å; Y404-P411 WeakPolarHBondContact OH-CB 3.41Å; P411-V413 PolarHBondContact O-N 2.69Å
412L80.3Confident90.1Very high71 Ų7167.6 Ų67.637%0.37238%0.375SS..SBendtrans-58-39.8168.4-71.3164.5000111.1L345 A348 F349 K410L345-L412 HydrophobicContact CD1-CD1 3.58Å; A348-L412 HydrophobicContact CB-CD1 3.6Å; A348-L412 HydrophobicContact CB-CD2 3.65Å; A348-L412 HydrophobicContact CB-CG 4.29Å; F349-L412 HydrophobicContact CE1-CG 4.24Å; F349-L412 HydrophobicContact CE2-CD1 4.42Å; F349-L412 HydrophobicContact CZ-CD1 4.23Å; F349-L412 HydrophobicContact CZ-CG 4.34Å; K410-L412 PolarHBondContact O-N 3.33Å
413V86.2Confident90Very high63 Ų6367.6 Ų67.638%0.38238%0.378SS..SBendtrans-130.2109.7173.6-174.50000107.2P411 S415 L416P411-V413 PolarHBondContact O-N 2.69Å; V413-S415 WeakPolarHBondContact CG1-OG 3.28Å; V413-S415 PolarHBondContact O-N 3.44Å; V413-S415 VanDerWaalsContact O-N 3.12Å; V413-L416 HydrophobicContact CB-CB 4.21Å; V413-L416 HydrophobicContact CB-CD1 3.94Å; V413-L416 HydrophobicContact CB-CG 4.01Å; V413-L416 HydrophobicContact CG1-CD1 4.24Å; V413-L416 HydrophobicContact CG1-CG 4.03Å; V413-L416 HydrophobicContact CG2-CD1 4.21Å; V413-L416 PolarHBondContact O-N 2.93Å
414P85.2Confident90Very high101 Ų10167.6 Ų67.666%0.65638%0.379SS*.G310 helixtrans-52.6-36.9-175.5-30.736.2000114.2L416 S417P414-L416 PolarHBondContact O-N 3.26Å; P414-S417 WeakPolarHBondContact O-CB 3.27Å; P414-S417 PolarHBondContact O-N 2.95Å
415S88.8Confident90.2Very high104 Ų10469.4 Ų69.473%0.72739%0.393SS*.G310 helixtrans-67.7-19.117858.50000114.3V413V413-S415 WeakPolarHBondContact CG1-OG 3.28Å; V413-S415 PolarHBondContact O-N 3.44Å; V413-S415 VanDerWaalsContact O-N 3.12Å
416L87.9Confident90.3Very high83 Ų8367 Ų6744%0.43539%0.391SS..G310 helixtrans-95.86.5178.6-61.6-178.2000113V413 P414 S418 A419 F420V413-L416 HydrophobicContact CB-CB 4.21Å; V413-L416 HydrophobicContact CB-CD1 3.94Å; V413-L416 HydrophobicContact CB-CG 4.01Å; V413-L416 HydrophobicContact CG1-CD1 4.24Å; V413-L416 HydrophobicContact CG1-CG 4.03Å; V413-L416 HydrophobicContact CG2-CD1 4.21Å; V413-L416 PolarHBondContact O-N 2.93Å; P414-L416 PolarHBondContact O-N 3.26Å; L416-S418 PolarHBondContact O-N 3.12Å; L416-A419 WeakPolarHBondContact O-CA 3.05Å; L416-A419 WeakPolarHBondContact O-CB 3.46Å; L416-A419 PolarHBondContact O-N 3.41Å; L416-F420 HydrophobicContact CB-CD2 4.24Å; L416-F420 HydrophobicContact CB-CE2 4.04Å; L416-F420 WeakPolarHBondContact O-CD2 3.34Å; L416-F420 PolarHBondContact O-N 3.42Å
417S89.4Confident90.5Very high31 Ų3160.3 Ų60.322%0.21736%0.363CS..Hα-helixtrans-58.2-48.5-172.8-1680000113.2Y404 P414 A419 F420 E421Y404-S417 VanDerWaalsContact CE1-OG 3.24Å; Y404-S417 WeakPolarHBondContact CE1-OG 3.43Å; Y404-S417 VanDerWaalsContact OH-CA 3.22Å; Y404-S417 WeakPolarHBondContact OH-CA 3.24Å; Y404-S417 WeakPolarHBondContact OH-CB 3.26Å; Y404-S417 PolarHBondContact OH-OG 3.3Å; P414-S417 WeakPolarHBondContact O-CB 3.27Å; P414-S417 PolarHBondContact O-N 2.95Å; S417-A419 VanDerWaalsContact C-N 3.26Å; S417-A419 PolarHBondContact O-N 3.22Å; S417-F420 PolarHBondContact O-N 3.3Å; S417-E421 PolarHBondContact O-N 3Å
418S90.2Very high90.7Very high87 Ų8759.4 Ų59.461%0.60835%0.346SS*.Hα-helixtrans-63.8-32.3176.3-52.40000112.5L416 E421 I422L416-S418 PolarHBondContact O-N 3.12Å; S418-E421 PolarHBondContact O-N 3Å; S418-I422 WeakPolarHBondContact O-CD1 3.37Å; S418-I422 VanDerWaalsContact O-CG1 3.24Å; S418-I422 WeakPolarHBondContact O-CG1 3.12Å; S418-I422 PolarHBondContact O-N 3.13Å
419A91.9Very high90.9Very high47 Ų4760.3 Ų60.339%0.38836%0.361SS..Hα-helixtrans-67.2-42177.700000111.4L416 S417 I422 V423L416-A419 WeakPolarHBondContact O-CA 3.05Å; L416-A419 WeakPolarHBondContact O-CB 3.46Å; L416-A419 PolarHBondContact O-N 3.41Å; S417-A419 VanDerWaalsContact C-N 3.26Å; S417-A419 PolarHBondContact O-N 3.22Å; A419-I422 PolarHBondContact O-N 3.25Å; A419-V423 WeakPolarHBondContact O-CB 3.4Å; A419-V423 VanDerWaalsContact O-CG2 3.29Å; A419-V423 WeakPolarHBondContact O-CG2 3.23Å; A419-V423 PolarHBondContact O-N 3.02Å
420F91.8Very high91.2Very high38 Ų3865 Ų6517%0.16738%0.381CS..Hα-helixtrans-60.8-44.9174.1-78.2-64.5000111.9L345 F400 L416 S417 I422 V423 F424L345-F420 HydrophobicContact CD1-CD1 4.42Å; L345-F420 HydrophobicContact CD1-CE1 3.52Å; L345-F420 HydrophobicContact CD1-CZ 3.89Å; L345-F420 HydrophobicContact CD2-CD1 4.26Å; L345-F420 HydrophobicContact CD2-CE1 3.96Å; L345-F420 HydrophobicContact CG-CE1 4.41Å; F400-F420 HydrophobicContact CE1-CB 4.35Å; F400-F420 HydrophobicContact CZ-CB 4.38Å; L416-F420 HydrophobicContact CB-CD2 4.24Å; L416-F420 HydrophobicContact CB-CE2 4.04Å; L416-F420 WeakPolarHBondContact O-CD2 3.34Å; L416-F420 PolarHBondContact O-N 3.42Å; S417-F420 PolarHBondContact O-N 3.3Å; F420-I422 VanDerWaalsContact C-N 3.34Å; F420-I422 PolarHBondContact O-N 2.91Å; F420-V423 PolarHBondContact O-N 3.2Å; F420-F424 WeakPolarHBondContact O-CD2 3.16Å; F420-F424 PolarHBondContact O-N 2.73Å
421E93.2Very high91.8Very high50 Ų5060.7 Ų60.723%0.23436%0.362CS..Hα-helixtrans-59.9-43.4177-73.7-163.2-148.100112.5L401 Y404 R405 S417 S418 S425L401-E421 HydrophobicContact CD2-CB 4.29Å; L401-E421 HydrophobicContact CD2-CG 4.27Å; Y404-E421 HydrophobicContact CD1-CG 3.98Å; Y404-E421 HydrophobicContact CE1-CG 4.13Å; R405-E421 IonicContact CZ-OE2 3.25Å; R405-E421 IonicContact NE-OE2 2.91Å; R405-E421 PolarHBondContact NE-OE2 3.21Å; R405-E421 IonicContact NH2-OE2 2.76Å; R405-E421 PolarHBondContact NH2-OE2 2.96Å; S417-E421 PolarHBondContact O-N 3Å; S418-E421 PolarHBondContact O-N 3Å; E421-S425 VanDerWaalsContact O-CB 3.27Å; E421-S425 WeakPolarHBondContact O-CB 3.21Å; E421-S425 PolarHBondContact O-N 3.04Å; E421-S425 PolarHBondContact O-OG 3.23Å
422I94.4Very high92.5Very high102 Ų10259.3 Ų59.352%0.52336%0.356SS..Hα-helixtrans-64-49.3178.1-68.9164.5000110.5S418 A419 F420 F424 S425 I426S418-I422 WeakPolarHBondContact O-CD1 3.37Å; S418-I422 VanDerWaalsContact O-CG1 3.24Å; S418-I422 WeakPolarHBondContact O-CG1 3.12Å; S418-I422 PolarHBondContact O-N 3.13Å; A419-I422 PolarHBondContact O-N 3.25Å; F420-I422 VanDerWaalsContact C-N 3.34Å; F420-I422 PolarHBondContact O-N 2.91Å; I422-F424 VanDerWaalsContact C-N 3.35Å; I422-F424 PolarHBondContact O-N 2.75Å; I422-S425 PolarHBondContact O-N 2.76Å; I422-I426 HydrophobicContact CG2-CD1 3.82Å; I422-I426 WeakPolarHBondContact O-CG1 3.34Å; I422-I426 PolarHBondContact O-N 3.4Å
423V94Very high93.2Very high71 Ų7160 Ų6043%0.4336%0.363SS..Hα-helixtrans-59.5-45.8-178.7168.30000111.1A419 F420 I426 C427A419-V423 WeakPolarHBondContact O-CB 3.4Å; A419-V423 VanDerWaalsContact O-CG2 3.29Å; A419-V423 WeakPolarHBondContact O-CG2 3.23Å; A419-V423 PolarHBondContact O-N 3.02Å; F420-V423 PolarHBondContact O-N 3.2Å; V423-I426 PolarHBondContact O-N 3.35Å; V423-C427 PolarHBondContact O-N 2.94Å; V423-C427 PolarHBondContact O-SG 2.77Å
424F95.7Very high93.6Very high1 Ų162.9 Ų62.90%0.00437%0.367CS..Hα-helixtrans-71.2-33179.1-86.6-96.5000112.8L345 C397 F400 L401 F420 I422 I426 C427 I428L345-F424 HydrophobicContact CD2-CE2 3.51Å; L345-F424 HydrophobicContact CD2-CZ 3.67Å; C397-F424 HydrophobicContact CB-CD1 3.88Å; F400-F424 HydrophobicContact CB-CD1 3.6Å; F400-F424 HydrophobicContact CB-CE1 3.48Å; F400-F424 VanDerWaalsContact CB-CE1 3.48Å; F400-F424 HydrophobicContact CB-CG 4.39Å; F400-F424 HydrophobicContact CB-CZ 4.2Å; F400-F424 HydrophobicContact CD1-CB 3.82Å; F400-F424 AromaticContact CD1-CD1 3.3Å; F400-F424 HydrophobicContact CD1-CD1 3.3Å; F400-F424 AromaticContact CD1-CD2 3.38Å; F400-F424 HydrophobicContact CD1-CD2 3.38Å; F400-F424 AromaticContact CD1-CE1 3.56Å; F400-F424 HydrophobicContact CD1-CE1 3.56Å; F400-F424 AromaticContact CD1-CE2 3.63Å; F400-F424 HydrophobicContact CD1-CE2 3.63Å; F400-F424 AromaticContact CD1-CG 3.19Å; F400-F424 HydrophobicContact CD1-CG 3.19Å; F400-F424 AromaticContact CD1-CZ 3.71Å; F400-F424 HydrophobicContact CD1-CZ 3.71Å; F400-F424 HydrophobicContact CD2-CE1 4Å; F400-F424 HydrophobicContact CD2-CE2 4.26Å; F400-F424 AromaticContact CD2-CZ 3.82Å; F400-F424 HydrophobicContact CD2-CZ 3.82Å; F400-F424 HydrophobicContact CE1-CB 4.24Å; F400-F424 HydrophobicContact CE1-CD1 4.13Å; F400-F424 AromaticContact CE1-CD2 3.29Å; F400-F424 HydrophobicContact CE1-CD2 3.29Å; F400-F424 HydrophobicContact CE1-CE1 4.29Å; F400-F424 AromaticContact CE1-CE2 3.49Å; F400-F424 HydrophobicContact CE1-CE2 3.49Å; F400-F424 VanDerWaalsContact CE1-CE2 3.49Å; F400-F424 AromaticContact CE1-CG 3.62Å; F400-F424 HydrophobicContact CE1-CG 3.62Å; F400-F424 AromaticContact CE1-CZ 3.99Å; F400-F424 HydrophobicContact CE1-CZ 3.99Å; F400-F424 HydrophobicContact CE2-CE2 4.15Å; F400-F424 HydrophobicContact CE2-CZ 4.11Å; F400-F424 AromaticContact CG-CD1 3.55Å; F400-F424 HydrophobicContact CG-CD1 3.55Å; F400-F424 HydrophobicContact CG-CD2 4.16Å; F400-F424 AromaticContact CG-CE1 3.36Å; F400-F424 HydrophobicContact CG-CE1 3.36Å; F400-F424 HydrophobicContact CG-CE2 4.01Å; F400-F424 AromaticContact CG-CG 3.94Å; F400-F424 HydrophobicContact CG-CG 3.94Å; F400-F424 AromaticContact CG-CZ 3.6Å; F400-F424 HydrophobicContact CG-CZ 3.6Å; F400-F424 HydrophobicContact CZ-CD2 4.02Å; F400-F424 AromaticContact CZ-CE2 3.76Å; F400-F424 HydrophobicContact CZ-CE2 3.76Å; F400-F424 HydrophobicContact CZ-CZ 4.18Å; L401-F424 HydrophobicContact CD1-CB 4.47Å; L401-F424 HydrophobicContact CD2-CB 3.64Å; L401-F424 HydrophobicContact CG-CB 3.84Å; F420-F424 WeakPolarHBondContact O-CD2 3.16Å; F420-F424 PolarHBondContact O-N 2.73Å; I422-F424 VanDerWaalsContact C-N 3.35Å; I422-F424 PolarHBondContact O-N 2.75Å; F424-I426 VanDerWaalsContact C-N 3.34Å; F424-C427 PolarHBondContact O-N 3.04Å; F424-I428 WeakPolarHBondContact O-CD1 3.39Å; F424-I428 VanDerWaalsContact O-CG1 3.25Å; F424-I428 WeakPolarHBondContact O-CG1 3.25Å; F424-I428 PolarHBondContact O-N 3.13Å
425S96.7Very high93.9Very high51 Ų5158.5 Ų58.536%0.35734%0.339SS..Hα-helixtrans-62.5-41.6171.8-60.40000111.7E421 I422 I428 A429E421-S425 VanDerWaalsContact O-CB 3.27Å; E421-S425 WeakPolarHBondContact O-CB 3.21Å; E421-S425 PolarHBondContact O-N 3.04Å; E421-S425 PolarHBondContact O-OG 3.23Å; I422-S425 PolarHBondContact O-N 2.76Å; S425-I428 PolarHBondContact O-N 3.22Å; S425-A429 PolarHBondContact O-N 2.81Å
426I96.6Very high94Very high109 Ų10959.2 Ų59.256%0.55933%0.333SS*.Hα-helixtrans-64.7-42.6174.1-66.9166.8000110.7I422 V423 F424 I428 A429 F430I422-I426 HydrophobicContact CG2-CD1 3.82Å; I422-I426 WeakPolarHBondContact O-CG1 3.34Å; I422-I426 PolarHBondContact O-N 3.4Å; V423-I426 PolarHBondContact O-N 3.35Å; F424-I426 VanDerWaalsContact C-N 3.34Å; I426-I428 VanDerWaalsContact C-N 3.33Å; I426-I428 PolarHBondContact O-N 3.31Å; I426-A429 PolarHBondContact O-N 2.87Å; I426-F430 WeakPolarHBondContact O-CB 3.48Å; I426-F430 PolarHBondContact O-N 2.73Å
427C96.9Very high94Very high13 Ų1362.1 Ų62.19%0.08834%0.342CS..Hα-helixtrans-59.9-43.6176-68.60000111.5C397 V423 F424 A429 F430 W431C397-C427 HydrophobicContact CB-CB 4.36Å; V423-C427 PolarHBondContact O-N 2.94Å; V423-C427 PolarHBondContact O-SG 2.77Å; F424-C427 PolarHBondContact O-N 3.04Å; C427-A429 VanDerWaalsContact C-N 3.35Å; C427-A429 PolarHBondContact O-N 3.48Å; C427-F430 PolarHBondContact O-N 3.21Å; C427-W431 WeakPolarHBondContact O-CB 3.34Å; C427-W431 PolarHBondContact O-N 3.03Å
428I97.2Very high93.7Very high32 Ų3262.8 Ų62.816%0.16434%0.341CS..Hα-helixtrans-60.3-45.4175.8-68.6160000110.7T394 C397 L398 L401 F424 S425 I426 G432T394-I428 HydrophobicContact CG2-CG2 4.42Å; C397-I428 HydrophobicContact CB-CD1 4.2Å; C397-I428 HydrophobicContact CB-CG1 3.44Å; C397-I428 VanDerWaalsContact CB-CG1 3.44Å; L398-I428 HydrophobicContact CD2-CD1 3.83Å; L398-I428 HydrophobicContact CD2-CG1 4.31Å; L398-I428 HydrophobicContact CD2-CG2 4.05Å; L398-I428 HydrophobicContact CG-CD1 4.08Å; L398-I428 HydrophobicContact CG-CG1 4.14Å; L398-I428 HydrophobicContact CG-CG2 4.25Å; L401-I428 HydrophobicContact CD1-CD1 3.28Å; L401-I428 HydrophobicContact CG-CD1 3.98Å; F424-I428 WeakPolarHBondContact O-CD1 3.39Å; F424-I428 VanDerWaalsContact O-CG1 3.25Å; F424-I428 WeakPolarHBondContact O-CG1 3.25Å; F424-I428 PolarHBondContact O-N 3.13Å; S425-I428 PolarHBondContact O-N 3.22Å; I426-I428 VanDerWaalsContact C-N 3.33Å; I426-I428 PolarHBondContact O-N 3.31Å; I428-G432 VanDerWaalsContact O-CA 3.26Å; I428-G432 WeakPolarHBondContact O-CA 3.37Å; I428-G432 PolarHBondContact O-N 3.02Å
429A97Very high93.4Very high61 Ų6162.6 Ų62.650%0.50433%0.333SS..Hα-helixtrans-62.1-47.6177.800000111.4S425 I426 C427 V433S425-A429 PolarHBondContact O-N 2.81Å; I426-A429 PolarHBondContact O-N 2.87Å; C427-A429 VanDerWaalsContact C-N 3.35Å; C427-A429 PolarHBondContact O-N 3.48Å; A429-V433 VanDerWaalsContact O-CG2 3.29Å; A429-V433 WeakPolarHBondContact O-CG2 3.26Å; A429-V433 PolarHBondContact O-N 3.24Å
430F97Very high93.1Very high102 Ų10265.2 Ų65.245%0.44735%0.345SS..Hα-helixtrans-62-52.5-179.5176.6-96.2000112.6I426 C427 R434I426-F430 WeakPolarHBondContact O-CB 3.48Å; I426-F430 PolarHBondContact O-N 2.73Å; C427-F430 PolarHBondContact O-N 3.21Å; F430-R434 VanDerWaalsContact CZ-NE 3.34Å; F430-R434 PolarHBondContact O-N 3.33Å
431W97Very high92.4Very high10 Ų1067.1 Ų67.14%0.03836%0.362CS..Hα-helixtrans-73.4-31.1-179.1-67.6116.8000112.2L335 Y338 L382 A390 E393 T394 C427 R434 S435L335-W431 HydrophobicContact CD1-CH2 3.86Å; L335-W431 HydrophobicContact CD1-CZ2 4.05Å; Y338-W431 HydrophobicContact CD1-CZ2 4.23Å; Y338-W431 AromaticContact CE1-CZ2 3.86Å; Y338-W431 HydrophobicContact CE1-CZ2 3.86Å; Y338-W431 AromaticContact CE1-NE1 3.77Å; Y338-W431 AromaticContact CZ-NE1 3.47Å; Y338-W431 PolarHBondContact OH-NE1 2.89Å; L382-W431 HydrophobicContact CD1-CZ2 4.44Å; L382-W431 HydrophobicContact CD2-CH2 3.39Å; L382-W431 HydrophobicContact CD2-CZ2 3.93Å; L382-W431 HydrophobicContact CD2-CZ3 3.73Å; A390-W431 HydrophobicContact CB-CE3 3.97Å; A390-W431 HydrophobicContact CB-CZ3 4.49Å; E393-W431 HydrophobicContact CB-CB 4.45Å; E393-W431 HydrophobicContact CB-CD2 4.05Å; E393-W431 HydrophobicContact CB-CE3 4.49Å; E393-W431 HydrophobicContact CB-CG 4.01Å; E393-W431 HydrophobicContact CG-CB 4.47Å; E393-W431 HydrophobicContact CG-CD2 3.73Å; E393-W431 HydrophobicContact CG-CG 3.64Å; E393-W431 HydrophobicContact CG-CZ2 4.25Å; E393-W431 VanDerWaalsContact CG-NE1 3.28Å; T394-W431 VanDerWaalsContact OG1-CB 3.25Å; T394-W431 WeakPolarHBondContact OG1-CB 3.43Å; T394-W431 PolarHBondContact OG1-O 3.45Å; C427-W431 WeakPolarHBondContact O-CB 3.34Å; C427-W431 PolarHBondContact O-N 3.03Å; W431-R434 PolarHBondContact O-N 3.37Å; W431-S435 WeakPolarHBondContact O-CB 3.38Å; W431-S435 PolarHBondContact O-N 3.34Å; W431-S435 PolarHBondContact O-OG 3.23Å
432G95.5Very high91.1Very high18 Ų1871.5 Ų71.519%0.18638%0.383CS..Hα-helixtrans-63.4-46.2174.100000111.7T394 I428 R434 S435 M436T394-G432 PolarHBondContact OG1-N 2.93Å; I428-G432 VanDerWaalsContact O-CA 3.26Å; I428-G432 WeakPolarHBondContact O-CA 3.37Å; I428-G432 PolarHBondContact O-N 3.02Å; G432-R434 VanDerWaalsContact C-N 3.33Å; G432-R434 PolarHBondContact O-N 2.97Å; G432-S435 WeakPolarHBondContact O-CB 3.5Å; G432-S435 PolarHBondContact O-N 3.37Å; G432-M436 WeakPolarHBondContact O-CG 3.34Å; G432-M436 PolarHBondContact O-N 3.42Å
433V95Very high89.1Confident85 Ų8571.2 Ų71.252%0.51539%0.387SS..Hα-helixtrans-61-42.2174.4170.30000111.2A429 M436 K437A429-V433 VanDerWaalsContact O-CG2 3.29Å; A429-V433 WeakPolarHBondContact O-CG2 3.26Å; A429-V433 PolarHBondContact O-N 3.24Å; V433-M436 PolarHBondContact O-N 2.99Å; V433-K437 WeakPolarHBondContact O-CG 3.41Å; V433-K437 PolarHBondContact O-N 2.97Å
434R93.5Very high87.2Confident124 Ų12479.3 Ų79.347%0.46841%0.41SS..Hα-helixtrans-63.3-41.8175.3-76.8-172.1170.1-154.9-3.1112.3A390 F430 W431 G432 K437 Q438A390-R434 HydrophobicContact CB-CB 3.83Å; F430-R434 VanDerWaalsContact CZ-NE 3.34Å; F430-R434 PolarHBondContact O-N 3.33Å; W431-R434 PolarHBondContact O-N 3.37Å; G432-R434 VanDerWaalsContact C-N 3.33Å; G432-R434 PolarHBondContact O-N 2.97Å; R434-K437 PolarHBondContact O-N 3.19Å; R434-Q438 WeakPolarHBondContact O-CB 3.47Å; R434-Q438 PolarHBondContact O-N 3.5Å
435S91.7Very high84.5Confident10 Ų1092.6 Ų92.67%0.0747%0.468CS..Hα-helixtrans-60.5-46.5176.3-60.10000111.2A390 I391 T394 W431 G432 Q438 L439A390-S435 PolarHBondContact O-OG 3.21Å; I391-S435 WeakPolarHBondContact CA-OG 3.29Å; I391-S435 PolarHBondContact N-OG 3.05Å; I391-S435 VanDerWaalsContact N-OG 3.13Å; T394-S435 PolarHBondContact OG1-OG 3.36Å; W431-S435 WeakPolarHBondContact O-CB 3.38Å; W431-S435 PolarHBondContact O-N 3.34Å; W431-S435 PolarHBondContact O-OG 3.23Å; G432-S435 WeakPolarHBondContact O-CB 3.5Å; G432-S435 PolarHBondContact O-N 3.37Å; S435-Q438 PolarHBondContact O-N 3.36Å; S435-L439 WeakPolarHBondContact O-CG 3.42Å; S435-L439 PolarHBondContact O-N 3.41Å
436M90.6Very high83.9Confident119 Ų11994.7 Ų94.759%0.58647%0.474SS*.Hα-helixtrans-62.3-45.2177.5-69.5-59.4-68.400111.7G432 V433 Q438 L439 T440G432-M436 WeakPolarHBondContact O-CG 3.34Å; G432-M436 PolarHBondContact O-N 3.42Å; V433-M436 PolarHBondContact O-N 2.99Å; M436-Q438 PolarHBondContact O-N 3.42Å; M436-L439 PolarHBondContact O-N 2.89Å; M436-T440 WeakPolarHBondContact O-CG2 3.39Å; M436-T440 PolarHBondContact O-N 3.18Å; M436-T440 PolarHBondContact O-OG1 3.29Å
437K88.1Confident83.2Confident144 Ų14493.9 Ų93.963%0.62647%0.469SS*.Hα-helixtrans-58.5-36.9175.9-76.6-175.7179.4-173.30112.8V433 R434 T440 S441V433-K437 WeakPolarHBondContact O-CG 3.41Å; V433-K437 PolarHBondContact O-N 2.97Å; R434-K437 PolarHBondContact O-N 3.19Å; K437-T440 PolarHBondContact O-OG1 3.13Å; K437-T440 VanDerWaalsContact O-OG1 3.1Å; K437-S441 WeakPolarHBondContact O-CB 3.36Å; K437-S441 PolarHBondContact O-N 3.07Å; K437-S441 VanDerWaalsContact O-N 3.12Å; K437-S441 PolarHBondContact O-OG 2.87Å; K437-S441 VanDerWaalsContact O-OG 3.13Å
438Q83.6Confident82.4Confident44 Ų4498.4 Ų98.421%0.20649%0.49CS..Hα-helixtrans-73.8-41.7179.5-171.2-164.7-13.800112.3P387 R434 S435 M436 T440 S441 H442P387-Q438 PolarHBondContact O-NE2 3.14Å; P387-Q438 PolarHBondContact O-OE1 3.02Å; R434-Q438 WeakPolarHBondContact O-CB 3.47Å; R434-Q438 PolarHBondContact O-N 3.5Å; S435-Q438 PolarHBondContact O-N 3.36Å; M436-Q438 PolarHBondContact O-N 3.42Å; Q438-T440 VanDerWaalsContact C-N 3.26Å; Q438-T440 PolarHBondContact O-N 3.3Å; Q438-S441 PolarHBondContact O-N 3.23Å; Q438-S441 PolarHBondContact O-OG 3Å; Q438-S441 VanDerWaalsContact O-OG 3.13Å; Q438-H442 PolarHBondContact O-N 3.13Å
439L84.5Confident81.6Confident83 Ų83102.3 Ų102.344%0.43551%0.509SS..Hα-helixtrans-64.4-33.5177.1-72169.4000111.7I391 S435 M436I391-L439 HydrophobicContact CD1-CD2 4.15Å; I391-L439 HydrophobicContact CD1-CG 4.33Å; S435-L439 WeakPolarHBondContact O-CG 3.42Å; S435-L439 PolarHBondContact O-N 3.41Å; M436-L439 PolarHBondContact O-N 2.89Å
440T85Confident80.6Confident103 Ų103104.9 Ų104.963%0.63251%0.51SS*.Hα-helixtrans-80.4-27.6177.158.30000113.5M436 K437 Q438M436-T440 WeakPolarHBondContact O-CG2 3.39Å; M436-T440 PolarHBondContact O-N 3.18Å; M436-T440 PolarHBondContact O-OG1 3.29Å; K437-T440 PolarHBondContact O-OG1 3.13Å; K437-T440 VanDerWaalsContact O-OG1 3.1Å; Q438-T440 VanDerWaalsContact C-N 3.26Å; Q438-T440 PolarHBondContact O-N 3.3Å
441S77.9Confident79.5Confident77 Ų77105.1 Ų105.154%0.53851%0.514SS..Hα-helixtrans-82-20178.765.90000114.1K437 Q438K437-S441 WeakPolarHBondContact O-CB 3.36Å; K437-S441 PolarHBondContact O-N 3.07Å; K437-S441 VanDerWaalsContact O-N 3.12Å; K437-S441 PolarHBondContact O-OG 2.87Å; K437-S441 VanDerWaalsContact O-OG 3.13Å; Q438-S441 PolarHBondContact O-N 3.23Å; Q438-S441 PolarHBondContact O-OG 3Å; Q438-S441 VanDerWaalsContact O-OG 3.13Å
442H65.2Low78.3Confident143 Ų143111.9 Ų111.966%0.66255%0.548SS*.SBendtrans-12676.3172.4-76.3-12.2000110.5Q438 W444Q438-H442 PolarHBondContact O-N 3.13Å; H442-W444 VanDerWaalsContact C-N 3.32Å; H442-W444 PolarHBondContact O-N 3.12Å
443P53.4Low76.9Confident95 Ų95119.1 Ų119.162%0.61758%0.576SS**  trans-6898169.728.5-29.4000107.3K445P443-K445 PolarHBondContact O-N 3.1Å; P443-K445 VanDerWaalsContact O-N 3.07Å
444W52.9Low75.4Confident241 Ų241121.9 Ų121.991%0.91358%0.581SS**  trans14.784.4162.5-6563.3000113.6H442H442-W444 VanDerWaalsContact C-N 3.32Å; H442-W444 PolarHBondContact O-N 3.12Å
445K38.7Very low73.8Confident280 Ų280121.7 Ų121.7100%1.21759%0.591SS**  trans-89.90159.4-83.5-168.7176.8-176.10109.4P443P443-K445 PolarHBondContact O-N 3.1Å; P443-K445 VanDerWaalsContact O-N 3.07Å

Retrieved 445 of 445 residues in 1234.4 ms (Link to these results)

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