A0A077ZE27_TRITR Loading...

Phosphorylase b kinase regulatory subunit

Phosphorylase b kinase catalyzes the phosphorylation of serine in certain substrates, including troponin I. The alpha chain may bind calmodulin.

AlphaFold DB , UniProt , Accession A0A077ZE27, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 450 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
1M42.9Very low56.5Low139 Ų13973.7 Ų73.769%0.68537%0.371SS*.  0-70.30-87.2-175.9-165.500112.1T3 N5 L410M1-T3 PolarHBondContact O-N 3.33Å; M1-N5 VanDerWaalsContact O-CB 3.24Å; M1-N5 WeakPolarHBondContact O-CB 3.35Å; M1-N5 PolarHBondContact O-N 3.11Å; M1-L410 HydrophobicContact CE-CD2 4.07Å; M1-L410 HydrophobicContact CG-CD2 4.39Å
2K47Very low57.5Low161 Ų16169.8 Ų69.870%0.735%0.349SS*.Hα-helixtrans-52.5-53.1-177.4-79.8-170.1176.2-174.80113.3E4 E6K2-E4 PolarHBondContact O-N 2.96Å; K2-E6 WeakPolarHBondContact O-CA 3.38Å; K2-E6 WeakPolarHBondContact O-CB 3.45Å; K2-E6 WeakPolarHBondContact O-CG 3.5Å; K2-E6 PolarHBondContact O-N 2.84Å
3T48.9Very low58.5Low97 Ų9775.1 Ų75.160%0.59537%0.369SS*.Hα-helixtrans-65.2-41.5-174.643.50000115.2M1 N7M1-T3 PolarHBondContact O-N 3.33Å; T3-N7 WeakPolarHBondContact O-CB 3.38Å; T3-N7 PolarHBondContact O-N 3.31Å; T3-N7 PolarHBondContact O-ND2 3.16Å; T3-N7 PolarHBondContact O-OD1 3.35Å
4E50.3Low59Low96 Ų9672.4 Ų72.445%0.44936%0.359SS..Hα-helixtrans-83-34.1-179.7-85.5169.3159.100113.2K2 E6 N7 T8K2-E4 PolarHBondContact O-N 2.96Å; E4-E6 VanDerWaalsContact C-N 3.3Å; E4-N7 PolarHBondContact O-N 2.87Å; E4-T8 WeakPolarHBondContact O-CB 3.49Å; E4-T8 PolarHBondContact O-N 2.99Å; E4-T8 PolarHBondContact O-OG1 3.28Å
5N58.4Low59.6Low25 Ų2568.5 Ų68.513%0.13434%0.34CS..Hα-helixtrans-67.7-35.2169.8-161.1-0.7000110.1M1 T8 Y9 Y54M1-N5 VanDerWaalsContact O-CB 3.24Å; M1-N5 WeakPolarHBondContact O-CB 3.35Å; M1-N5 PolarHBondContact O-N 3.11Å; N5-T8 PolarHBondContact O-N 2.98Å; N5-Y9 WeakPolarHBondContact O-CB 3.02Å; N5-Y9 PolarHBondContact O-N 3.2Å; N5-Y54 WeakPolarHBondContact ND2-CE2 3.35Å; N5-Y54 VanDerWaalsContact ND2-CZ 3.34Å; N5-Y54 WeakPolarHBondContact OD1-CE2 3.41Å
6E59.9Low60.6Low105 Ų10575.3 Ų75.349%0.49136%0.362SS..Hα-helixtrans-62.3-44.2169.1-78.4162.7-169.800111.4K2 E4 Y9 A10K2-E6 WeakPolarHBondContact O-CA 3.38Å; K2-E6 WeakPolarHBondContact O-CB 3.45Å; K2-E6 WeakPolarHBondContact O-CG 3.5Å; K2-E6 PolarHBondContact O-N 2.84Å; E4-E6 VanDerWaalsContact C-N 3.3Å; E6-Y9 PolarHBondContact O-N 3Å; E6-A10 WeakPolarHBondContact O-CB 3.39Å; E6-A10 PolarHBondContact O-N 3.36Å
7N60.2Low62.2Low79 Ų7973.9 Ų73.942%0.42236%0.356SS..Hα-helixtrans-63.3-42.3175.2-73.4-13.9000111.6T3 E4 A10 L11 L359T3-N7 WeakPolarHBondContact O-CB 3.38Å; T3-N7 PolarHBondContact O-N 3.31Å; T3-N7 PolarHBondContact O-ND2 3.16Å; T3-N7 PolarHBondContact O-OD1 3.35Å; E4-N7 PolarHBondContact O-N 2.87Å; N7-A10 PolarHBondContact O-N 3.2Å; N7-L11 VanDerWaalsContact O-CB 3.24Å; N7-L11 WeakPolarHBondContact O-CB 3.38Å; N7-L11 PolarHBondContact O-N 2.98Å; N7-L359 HydrophobicContact CB-CD2 4.45Å
8T61.9Low63.9Low14 Ų1470.7 Ų70.79%0.08634%0.341CS..Hα-helixtrans-68.3-40.1179.3-53.60000111.3E4 N5 L11 Y12 L50 I401E4-T8 WeakPolarHBondContact O-CB 3.49Å; E4-T8 PolarHBondContact O-N 2.99Å; E4-T8 PolarHBondContact O-OG1 3.28Å; N5-T8 PolarHBondContact O-N 2.98Å; T8-L11 WeakPolarHBondContact O-CB 3.5Å; T8-L11 PolarHBondContact O-N 3.01Å; T8-Y12 PolarHBondContact O-N 2.9Å; T8-L50 HydrophobicContact CG2-CD1 4.34Å; T8-L50 HydrophobicContact CG2-CD2 3.45Å; T8-L50 VanDerWaalsContact CG2-CD2 3.45Å; T8-L50 HydrophobicContact CG2-CG 4.23Å; T8-I401 HydrophobicContact CG2-CB 4.29Å; T8-I401 HydrophobicContact CG2-CG1 4.21Å; T8-I401 HydrophobicContact CG2-CG2 3.25Å
9Y65.9Low65.3Low54 Ų5472.5 Ų72.521%0.21236%0.359CS..Hα-helixtrans-68.7-37.3173.8-176-107.6000112N5 E6 L11 Y12 K13 T66 L70N5-Y9 WeakPolarHBondContact O-CB 3.02Å; N5-Y9 PolarHBondContact O-N 3.2Å; E6-Y9 PolarHBondContact O-N 3Å; Y9-L11 VanDerWaalsContact C-N 3.33Å; Y9-Y12 HydrophobicContact CD2-CD1 4.3Å; Y9-Y12 HydrophobicContact CE2-CD1 4.27Å; Y9-Y12 WeakPolarHBondContact O-CB 3.49Å; Y9-Y12 PolarHBondContact O-N 3.45Å; Y9-K13 HydrophobicContact CD1-CD 4.45Å; Y9-K13 HydrophobicContact CE1-CD 4.15Å; Y9-K13 WeakPolarHBondContact O-CG 3.42Å; Y9-K13 PolarHBondContact O-N 3.3Å; Y9-T66 HydrophobicContact CD2-CG2 4.4Å; Y9-T66 HydrophobicContact CE2-CG2 3.9Å; Y9-L70 HydrophobicContact CE2-CD2 4.37Å
10A62.8Low66.8Low32 Ų3274.8 Ų74.826%0.26438%0.377SS..Hα-helixtrans-64.9-39.3171.700000110.9E6 N7 K13 T14 L359E6-A10 WeakPolarHBondContact O-CB 3.39Å; E6-A10 PolarHBondContact O-N 3.36Å; N7-A10 PolarHBondContact O-N 3.2Å; A10-K13 CarbonylContact O-C 3.58Å; A10-K13 WeakPolarHBondContact O-CA 2.98Å; A10-K13 WeakPolarHBondContact O-CB 3.03Å; A10-K13 PolarHBondContact O-N 2.97Å; A10-T14 WeakPolarHBondContact O-CG2 3.27Å; A10-T14 PolarHBondContact O-N 3.21Å; A10-T14 VanDerWaalsContact O-N 3.08Å; A10-L359 HydrophobicContact CB-CD1 4.4Å; A10-L359 HydrophobicContact CB-CD2 3.91Å
11L63.3Low68.1Low9 Ų971.6 Ų71.65%0.04736%0.361CS..Hα-helixtrans-65.1-40.1175-157.860.4000111.2N7 T8 Y9 K13 T14 L359 V361 Q397 I401N7-L11 VanDerWaalsContact O-CB 3.24Å; N7-L11 WeakPolarHBondContact O-CB 3.38Å; N7-L11 PolarHBondContact O-N 2.98Å; T8-L11 WeakPolarHBondContact O-CB 3.5Å; T8-L11 PolarHBondContact O-N 3.01Å; Y9-L11 VanDerWaalsContact C-N 3.33Å; L11-K13 VanDerWaalsContact C-N 3.32Å; L11-K13 PolarHBondContact O-N 3.3Å; L11-T14 WeakPolarHBondContact O-CB 3.31Å; L11-T14 PolarHBondContact O-N 3.14Å; L11-T14 VanDerWaalsContact O-N 3.13Å; L11-T14 PolarHBondContact O-OG1 3.46Å; L11-L359 HydrophobicContact CD1-CB 4.16Å; L11-V361 HydrophobicContact CD1-CG1 3.88Å; L11-Q397 HydrophobicContact CG-CG 4.36Å; L11-I401 HydrophobicContact CB-CD1 4.28Å; L11-I401 HydrophobicContact CD2-CD1 3.75Å; L11-I401 HydrophobicContact CD2-CG1 3.65Å; L11-I401 HydrophobicContact CG-CD1 3.98Å; L11-I401 HydrophobicContact CG-CG1 4.44Å
12Y68Low70.6Confident26 Ų2665 Ų6510%0.10233%0.329CS..Hα-helixtrans-58.7-42167.8162.1-103.5000112T8 Y9 T14 L15 F24 V47 L70 T73T8-Y12 PolarHBondContact O-N 2.9Å; Y9-Y12 HydrophobicContact CD2-CD1 4.3Å; Y9-Y12 HydrophobicContact CE2-CD1 4.27Å; Y9-Y12 WeakPolarHBondContact O-CB 3.49Å; Y9-Y12 PolarHBondContact O-N 3.45Å; Y12-T14 PolarHBondContact O-N 2.82Å; Y12-L15 HydrophobicContact CD2-CD1 4.27Å; Y12-L15 VanDerWaalsContact O-CB 3.22Å; Y12-L15 WeakPolarHBondContact O-CB 3.24Å; Y12-L15 WeakPolarHBondContact O-CG 3.46Å; Y12-L15 PolarHBondContact O-N 3.25Å; Y12-F24 HydrophobicContact CE2-CE1 4.05Å; Y12-F24 HydrophobicContact CE2-CZ 4.06Å; Y12-V47 HydrophobicContact CD2-CG2 3.58Å; Y12-V47 HydrophobicContact CE2-CG1 4.48Å; Y12-V47 HydrophobicContact CE2-CG2 3.45Å; Y12-V47 VanDerWaalsContact CE2-CG2 3.45Å; Y12-L70 HydrophobicContact CD1-CD2 4.41Å; Y12-L70 HydrophobicContact CE1-CD2 4.27Å; Y12-T73 HydrophobicContact CE2-CG2 4.49Å; Y12-T73 WeakPolarHBondContact OH-CG2 3.34Å
13K71.1Confident73Confident139 Ų13957.3 Ų57.360%0.60430%0.296SS*.Hα-helixtrans-64.6-19.4175.9-74.5-178.9172.7175.70113.8Y9 A10 L11 L15Y9-K13 HydrophobicContact CD1-CD 4.45Å; Y9-K13 HydrophobicContact CE1-CD 4.15Å; Y9-K13 WeakPolarHBondContact O-CG 3.42Å; Y9-K13 PolarHBondContact O-N 3.3Å; A10-K13 CarbonylContact O-C 3.58Å; A10-K13 WeakPolarHBondContact O-CA 2.98Å; A10-K13 WeakPolarHBondContact O-CB 3.03Å; A10-K13 PolarHBondContact O-N 2.97Å; L11-K13 VanDerWaalsContact C-N 3.32Å; L11-K13 PolarHBondContact O-N 3.3Å; K13-L15 PolarHBondContact O-N 3.33Å
14T64.8Low75.1Confident38 Ų3852.8 Ų52.823%0.23327%0.268CS..THydrogen-bonded Turntrans-73.8-15.3170.673.80000113A10 L11 Y12 Y16 L359A10-T14 WeakPolarHBondContact O-CG2 3.27Å; A10-T14 PolarHBondContact O-N 3.21Å; A10-T14 VanDerWaalsContact O-N 3.08Å; L11-T14 WeakPolarHBondContact O-CB 3.31Å; L11-T14 PolarHBondContact O-N 3.14Å; L11-T14 VanDerWaalsContact O-N 3.13Å; L11-T14 PolarHBondContact O-OG1 3.46Å; Y12-T14 PolarHBondContact O-N 2.82Å; T14-Y16 PolarHBondContact O-N 2.93Å; T14-L359 HydrophobicContact CG2-CD1 3.78Å
15L68.6Low77.1Confident14 Ų1448.7 Ų48.77%0.07325%0.251CS..SBendtrans-81.8115.1178-48.2-179.6000108.9Y12 K13 L17 F24 P392 L394Y12-L15 HydrophobicContact CD2-CD1 4.27Å; Y12-L15 VanDerWaalsContact O-CB 3.22Å; Y12-L15 WeakPolarHBondContact O-CB 3.24Å; Y12-L15 WeakPolarHBondContact O-CG 3.46Å; Y12-L15 PolarHBondContact O-N 3.25Å; K13-L15 PolarHBondContact O-N 3.33Å; L15-L17 PolarHBondContact O-N 3.22Å; L15-F24 HydrophobicContact CB-CD1 3.72Å; L15-F24 HydrophobicContact CB-CE1 3.71Å; L15-F24 HydrophobicContact CD1-CE1 4.19Å; L15-P392 HydrophobicContact CD2-CG 4.33Å; L15-L394 HydrophobicContact CB-CD1 4.24Å; L15-L394 HydrophobicContact CD1-CD1 3.71Å; L15-L394 HydrophobicContact CD2-CD1 3.63Å; L15-L394 HydrophobicContact CG-CD1 4.04Å
16Y75.5Confident78.4Confident176 Ų17648 Ų4869%0.6925%0.248SC*.  trans-70.589.1-176-69.6-83.4000112T14 F24 G25T14-Y16 PolarHBondContact O-N 2.93Å; Y16-F24 WeakPolarHBondContact O-CA 3.49Å; Y16-G25 PolarHBondContact O-N 3.01Å
17L88.8Confident79.2Confident52 Ų5245.8 Ų45.827%0.27224%0.243SC..BIsolated β-bridgetrans-81.6125.4173-164.978.5000110.4L15 G22 F24 T73 V77L15-L17 PolarHBondContact O-N 3.22Å; L17-G22 WeakPolarHBondContact CD1-O 3.37Å; L17-F24 HydrophobicContact CB-CD1 4.45Å; L17-F24 HydrophobicContact CB-CE1 4.37Å; L17-F24 HydrophobicContact CD1-CD1 3.86Å; L17-F24 HydrophobicContact CD1-CD2 4.04Å; L17-F24 HydrophobicContact CD1-CE1 3.64Å; L17-F24 HydrophobicContact CD1-CE2 3.82Å; L17-F24 HydrophobicContact CD1-CG 4.07Å; L17-F24 HydrophobicContact CD1-CZ 3.62Å; L17-T73 HydrophobicContact CD2-CG2 4.04Å; L17-V77 HydrophobicContact CD1-CG2 4.18Å
18D92.4Very high80.2Confident16 Ų1643.1 Ų43.19%0.08623%0.229CC..  trans-67.9127.2169.6-179.9-89.2000110.1V20 T21 G22 L23 S111 H112D18-V20 VanDerWaalsContact C-N 3.25Å; D18-V20 PolarHBondContact O-N 3.3Å; D18-V20 WeakPolarHBondContact OD1-CA 3.38Å; D18-V20 WeakPolarHBondContact OD1-CB 3.43Å; D18-V20 PolarHBondContact OD1-N 2.87Å; D18-T21 WeakPolarHBondContact CB-OG1 3.48Å; D18-T21 PolarHBondContact OD1-N 3.02Å; D18-T21 PolarHBondContact OD1-OG1 3.19Å; D18-G22 WeakPolarHBondContact O-CA 3.4Å; D18-G22 PolarHBondContact O-N 3.39Å; D18-L23 PolarHBondContact N-O 2.89Å; D18-S111 VanDerWaalsContact CB-O 3.29Å; D18-S111 WeakPolarHBondContact CB-O 3.25Å; D18-S111 VanDerWaalsContact CG-O 3.27Å; D18-H112 IonicContact OD2-CE1 2.65Å; D18-H112 PolarHBondContact OD2-CE1 3.47Å; D18-H112 IonicContact OD2-CG 2.77Å; D18-H112 IonicContact OD2-ND1 3.62Å; D18-H112 PolarHBondContact OD2-ND1 2.91Å
19P91Very high81Confident105 Ų10547.1 Ų47.168%0.68226%0.255SS*.THydrogen-bonded Turntrans-70.5-20.3-174.227.8-35.3000113.3K76P19-K76 PolarHBondContact O-NZ 3.07Å
20V93.5Very high81.8Confident118 Ų11848.2 Ų48.272%0.71528%0.282SS*.THydrogen-bonded Turntrans-88.1-57-178.7-179.50000109.5D18 K76D18-V20 VanDerWaalsContact C-N 3.25Å; D18-V20 PolarHBondContact O-N 3.3Å; D18-V20 WeakPolarHBondContact OD1-CA 3.38Å; D18-V20 WeakPolarHBondContact OD1-CB 3.43Å; D18-V20 PolarHBondContact OD1-N 2.87Å; V20-K76 WeakPolarHBondContact O-CE 3.41Å; V20-K76 PolarHBondContact O-NZ 3.19Å
21T96.1Very high83Confident8 Ų849.6 Ų49.65%0.04928%0.282CS..THydrogen-bonded Turntrans-83-30.1-176.270.80000112.2D18 L23 S80 S111 H112 L114D18-T21 WeakPolarHBondContact CB-OG1 3.48Å; D18-T21 PolarHBondContact OD1-N 3.02Å; D18-T21 PolarHBondContact OD1-OG1 3.19Å; T21-L23 PolarHBondContact O-N 2.79Å; T21-L23 PolarHBondContact OG1-N 3.48Å; T21-S80 VanDerWaalsContact O-CB 3.29Å; T21-S80 WeakPolarHBondContact O-CB 3.39Å; T21-S80 PolarHBondContact O-OG 3.3Å; T21-S111 WeakPolarHBondContact CB-O 3.43Å; T21-S111 WeakPolarHBondContact CG2-O 3.34Å; T21-S111 PolarHBondContact OG1-O 3.28Å; T21-H112 WeakPolarHBondContact CG2-O 3.18Å; T21-L114 HydrophobicContact CG2-CD2 3.65Å; T21-L114 HydrophobicContact CG2-CG 3.81Å
22G95.2Very high84.1Confident0 Ų058.1 Ų58.10%032%0.319CS..  trans71.713.7-167.700000113.4L17 D18 V77L17-G22 WeakPolarHBondContact CD1-O 3.37Å; D18-G22 WeakPolarHBondContact O-CA 3.4Å; D18-G22 PolarHBondContact O-N 3.39Å; G22-V77 WeakPolarHBondContact O-CG2 3.46Å
23L96.4Very high85.1Confident0 Ų057.5 Ų57.50%032%0.32CS..  trans-80.3140.7170.7-66.9-175.5000110.4D18 T21 G25 A35 V77 L81 L114D18-L23 PolarHBondContact N-O 2.89Å; T21-L23 PolarHBondContact O-N 2.79Å; T21-L23 PolarHBondContact OG1-N 3.48Å; L23-G25 PolarHBondContact O-N 3.43Å; L23-A35 HydrophobicContact CB-CB 4.01Å; L23-A35 HydrophobicContact CD1-CB 3.94Å; L23-V77 HydrophobicContact CD2-CG1 4.29Å; L23-L81 HydrophobicContact CD2-CD2 3.81Å; L23-L81 HydrophobicContact CD2-CG 3.99Å; L23-L114 HydrophobicContact CD1-CD2 3.48Å; L23-L114 VanDerWaalsContact CD1-CD2 3.48Å; L23-L114 HydrophobicContact CG-CD2 3.99Å
24F94Very high86.2Confident2 Ų252.4 Ų52.41%0.00930%0.299CS..BIsolated β-bridgetrans-76115.1168.6-61.6-86000109.4Y12 L15 Y16 L17 A35 N40 A43 V47 V77 L394Y12-F24 HydrophobicContact CE2-CE1 4.05Å; Y12-F24 HydrophobicContact CE2-CZ 4.06Å; L15-F24 HydrophobicContact CB-CD1 3.72Å; L15-F24 HydrophobicContact CB-CE1 3.71Å; L15-F24 HydrophobicContact CD1-CE1 4.19Å; Y16-F24 WeakPolarHBondContact O-CA 3.49Å; L17-F24 HydrophobicContact CB-CD1 4.45Å; L17-F24 HydrophobicContact CB-CE1 4.37Å; L17-F24 HydrophobicContact CD1-CD1 3.86Å; L17-F24 HydrophobicContact CD1-CD2 4.04Å; L17-F24 HydrophobicContact CD1-CE1 3.64Å; L17-F24 HydrophobicContact CD1-CE2 3.82Å; L17-F24 HydrophobicContact CD1-CG 4.07Å; L17-F24 HydrophobicContact CD1-CZ 3.62Å; F24-A35 WeakPolarHBondContact O-CB 3.44Å; F24-N40 PolarHBondContact N-OD1 3.43Å; F24-N40 PolarHBondContact O-ND2 3.42Å; F24-N40 VanDerWaalsContact O-ND2 3.14Å; F24-A43 HydrophobicContact CD1-CB 4.46Å; F24-A43 HydrophobicContact CD2-CB 3.46Å; F24-A43 VanDerWaalsContact CD2-CB 3.46Å; F24-A43 HydrophobicContact CE1-CB 4.42Å; F24-A43 HydrophobicContact CE2-CB 3.42Å; F24-A43 VanDerWaalsContact CE2-CB 3.42Å; F24-A43 HydrophobicContact CG-CB 3.99Å; F24-A43 HydrophobicContact CZ-CB 3.93Å; F24-V47 HydrophobicContact CZ-CG2 4.03Å; F24-V77 HydrophobicContact CD2-CG1 4.3Å; F24-V77 HydrophobicContact CD2-CG2 4.32Å; F24-V77 HydrophobicContact CE2-CG1 4.29Å; F24-V77 HydrophobicContact CE2-CG2 3.7Å; F24-V77 HydrophobicContact CZ-CG2 4.49Å; F24-L394 HydrophobicContact CB-CD2 3.47Å; F24-L394 VanDerWaalsContact CB-CD2 3.47Å; F24-L394 HydrophobicContact CD1-CD1 4.46Å; F24-L394 HydrophobicContact CG-CD2 4.09Å
25G91Very high87.7Confident10 Ų1050.7 Ų50.710%0.10329%0.288CS..  trans-79.3142173.400000111.2Y16 L23Y16-G25 PolarHBondContact O-N 3.01Å; L23-G25 PolarHBondContact O-N 3.43Å
26S86.4Confident89Confident10 Ų1051.1 Ų51.17%0.0729%0.289CS..  trans-67.7131.6178.6-1780000111.1I28 H34S26-I28 PolarHBondContact O-N 3.27Å; S26-I28 WeakPolarHBondContact OG-CB 3.38Å; S26-I28 WeakPolarHBondContact OG-CD1 3.49Å; S26-I28 WeakPolarHBondContact OG-CG1 3.36Å; S26-I28 PolarHBondContact OG-N 3.36Å; S26-H34 VanDerWaalsContact CB-O 3.23Å; S26-H34 WeakPolarHBondContact CB-O 3.44Å; S26-H34 PolarHBondContact N-O 2.79Å
27P77Confident90.1Very high59 Ų5942.8 Ų42.838%0.38326%0.256SS..  trans-79.4-3.6171.433.9-35.1000112.4
28I81.2Confident90.5Very high23 Ų2340.7 Ų40.712%0.11825%0.245CC..SBendtrans-66.3129.3-173.1-57.6169.9000110S26 G30 F31 K32 T390S26-I28 PolarHBondContact O-N 3.27Å; S26-I28 WeakPolarHBondContact OG-CB 3.38Å; S26-I28 WeakPolarHBondContact OG-CD1 3.49Å; S26-I28 WeakPolarHBondContact OG-CG1 3.36Å; S26-I28 PolarHBondContact OG-N 3.36Å; I28-G30 PolarHBondContact O-N 3.47Å; I28-F31 HydrophobicContact CB-CB 4.33Å; I28-F31 HydrophobicContact CB-CD2 4.22Å; I28-F31 HydrophobicContact CG2-CD2 3.75Å; I28-F31 HydrophobicContact CG2-CE2 4.47Å; I28-F31 CarbonylContact O-C 3.5Å; I28-F31 PolarHBondContact O-N 2.92Å; I28-K32 PolarHBondContact O-N 3.47Å; I28-T390 HydrophobicContact CD1-CG2 4.35Å; I28-T390 HydrophobicContact CG1-CG2 3.62Å
29P77.5Confident90.7Very high99 Ų9940.9 Ų40.964%0.64325%0.246SC*.THydrogen-bonded Turntrans-51.4132.5171.9-2735.2000111.8F31P29-F31 VanDerWaalsContact C-N 3.27Å; P29-F31 PolarHBondContact O-N 3.3Å
30G83.4Confident90.9Very high76 Ų7636 Ų3678%0.78421%0.214SC*.THydrogen-bonded Turntrans83.9-12.6-176.500000115.4I28I28-G30 PolarHBondContact O-N 3.47Å
31F87.6Confident91.2Very high61 Ų6130.3 Ų30.327%0.26818%0.18SC..  trans-122.920.6178-60-75.9000113.1I28 P29 G33 H34 W36 W123I28-F31 HydrophobicContact CB-CB 4.33Å; I28-F31 HydrophobicContact CB-CD2 4.22Å; I28-F31 HydrophobicContact CG2-CD2 3.75Å; I28-F31 HydrophobicContact CG2-CE2 4.47Å; I28-F31 CarbonylContact O-C 3.5Å; I28-F31 PolarHBondContact O-N 2.92Å; P29-F31 VanDerWaalsContact C-N 3.27Å; P29-F31 PolarHBondContact O-N 3.3Å; F31-G33 PolarHBondContact O-N 2.92Å; F31-H34 HydrophobicContact CB-CB 4.21Å; F31-H34 AromaticContact CD1-ND1 3.86Å; F31-H34 VanDerWaalsContact O-CB 3.24Å; F31-H34 WeakPolarHBondContact O-CB 3.05Å; F31-H34 PolarHBondContact O-CD2 3.37Å; F31-H34 VanDerWaalsContact O-CD2 3.3Å; F31-H34 PolarHBondContact O-N 3.36Å; F31-W36 HydrophobicContact CB-CH2 3.67Å; F31-W36 HydrophobicContact CB-CZ3 3.95Å; F31-W36 AromaticContact CD1-CH2 3.66Å; F31-W36 HydrophobicContact CD1-CH2 3.66Å; F31-W36 HydrophobicContact CD1-CZ2 4.31Å; F31-W36 HydrophobicContact CD2-CH2 4.22Å; F31-W36 HydrophobicContact CE1-CH2 4.32Å; F31-W36 AromaticContact CG-CH2 3.59Å; F31-W36 HydrophobicContact CG-CH2 3.59Å; F31-W36 HydrophobicContact CG-CZ3 4.37Å; F31-W123 AromaticContact CE1-CH2 3.91Å; F31-W123 HydrophobicContact CE1-CH2 3.91Å; F31-W123 HydrophobicContact CE1-CZ3 4.2Å; F31-W123 AromaticContact CZ-CH2 3.93Å; F31-W123 HydrophobicContact CZ-CH2 3.93Å; F31-W123 HydrophobicContact CZ-CZ3 4.42Å
32K85.8Confident91.2Very high189 Ų18930 Ų3082%0.82218%0.177SC*.THydrogen-bonded Turntrans-56.5125.5176.9-173.1173.8-178.2175.40110I28I28-K32 PolarHBondContact O-N 3.47Å
33G89.4Confident91.2Very high12 Ų1230 Ų3012%0.12418%0.177CC..THydrogen-bonded Turntrans85.91-177.100000114.9F31 S110 S111F31-G33 PolarHBondContact O-N 2.92Å; G33-S110 WeakPolarHBondContact O-CA 3.32Å; G33-S111 WeakPolarHBondContact CA-OG 3.37Å; G33-S111 PolarHBondContact O-N 2.99Å; G33-S111 PolarHBondContact O-OG 3.48Å
34H94.7Very high91.2Very high33 Ų3330 Ų3015%0.15318%0.177CC..EExtended strand (participates in β ladder)trans-85.4136.5170.3-65.7-131.5000109.6S26 F31 W36 Y109 V117S26-H34 VanDerWaalsContact CB-O 3.23Å; S26-H34 WeakPolarHBondContact CB-O 3.44Å; S26-H34 PolarHBondContact N-O 2.79Å; F31-H34 HydrophobicContact CB-CB 4.21Å; F31-H34 AromaticContact CD1-ND1 3.86Å; F31-H34 VanDerWaalsContact O-CB 3.24Å; F31-H34 WeakPolarHBondContact O-CB 3.05Å; F31-H34 PolarHBondContact O-CD2 3.37Å; F31-H34 VanDerWaalsContact O-CD2 3.3Å; F31-H34 PolarHBondContact O-N 3.36Å; H34-W36 HydrophobicContact CB-CE3 4.16Å; H34-W36 HydrophobicContact CB-CH2 4.14Å; H34-W36 HydrophobicContact CB-CZ3 3.59Å; H34-Y109 CarbonylContact C-O 3.57Å; H34-Y109 WeakPolarHBondContact CA-O 3.38Å; H34-V117 WeakPolarHBondContact ND1-CG2 3.34Å
35A95.9Very high91.3Very high1 Ų130.1 Ų30.11%0.00818%0.178CC..EExtended strand (participates in β ladder)trans-121.6107.3177.400000108.8L23 F24 K108 Y109L23-A35 HydrophobicContact CB-CB 4.01Å; L23-A35 HydrophobicContact CD1-CB 3.94Å; F24-A35 WeakPolarHBondContact O-CB 3.44Å; A35-K108 CarbonylContact O-C 3.57Å; A35-K108 VanDerWaalsContact O-CA 3.3Å; A35-K108 WeakPolarHBondContact O-CA 3.45Å; A35-Y109 PolarHBondContact N-O 3.34Å; A35-Y109 PolarHBondContact O-N 2.99Å
36W96.6Very high91.4Very high24 Ų2429.7 Ų29.79%0.09117%0.173CC..EExtended strand (participates in β ladder)trans-75.3138172.5-81.9-102.2000110.1F31 H34 R38 D39 N40 K108 W123 E178F31-W36 HydrophobicContact CB-CH2 3.67Å; F31-W36 HydrophobicContact CB-CZ3 3.95Å; F31-W36 AromaticContact CD1-CH2 3.66Å; F31-W36 HydrophobicContact CD1-CH2 3.66Å; F31-W36 HydrophobicContact CD1-CZ2 4.31Å; F31-W36 HydrophobicContact CD2-CH2 4.22Å; F31-W36 HydrophobicContact CE1-CH2 4.32Å; F31-W36 AromaticContact CG-CH2 3.59Å; F31-W36 HydrophobicContact CG-CH2 3.59Å; F31-W36 HydrophobicContact CG-CZ3 4.37Å; H34-W36 HydrophobicContact CB-CE3 4.16Å; H34-W36 HydrophobicContact CB-CH2 4.14Å; H34-W36 HydrophobicContact CB-CZ3 3.59Å; W36-R38 VanDerWaalsContact C-N 3.32Å; W36-R38 PolarHBondContact O-N 3.49Å; W36-D39 HydrophobicContact CB-CB 4.15Å; W36-N40 WeakPolarHBondContact O-CB 3.43Å; W36-N40 PolarHBondContact O-N 2.97Å; W36-N40 VanDerWaalsContact O-N 3.09Å; W36-N40 PolarHBondContact O-ND2 2.9Å; W36-K108 HydrophobicContact CD2-CB 4.07Å; W36-K108 HydrophobicContact CD2-CD 4.34Å; W36-K108 HydrophobicContact CG-CB 4.03Å; W36-K108 HydrophobicContact CH2-CD 4.32Å; W36-K108 HydrophobicContact CZ2-CD 3.69Å; W36-W123 HydrophobicContact CZ2-CZ2 4.25Å; W36-E178 PolarHBondContact NE1-OE1 3.02Å; W36-E178 VanDerWaalsContact NE1-OE1 3.07Å; W36-E178 PolarHBondContact NE1-OE2 3.27Å
37V97.9Very high91.8Very high0 Ų029.2 Ų29.20%017%0.17CC..Hα-helixtrans-54.8-51.8177.91730000110.1N40 V41 L81 F85 A107 Y109 A130V37-N40 PolarHBondContact O-N 3.42Å; V37-V41 HydrophobicContact CG1-CG2 4.34Å; V37-V41 VanDerWaalsContact O-CG2 3.3Å; V37-V41 WeakPolarHBondContact O-CG2 3.28Å; V37-V41 PolarHBondContact O-N 3.27Å; V37-L81 HydrophobicContact CG2-CD2 4.35Å; V37-F85 HydrophobicContact CG1-CE1 4.37Å; V37-F85 HydrophobicContact CG1-CZ 3.81Å; V37-F85 HydrophobicContact CG2-CE1 3.71Å; V37-F85 HydrophobicContact CG2-CZ 3.95Å; V37-A107 WeakPolarHBondContact CG2-O 3.39Å; V37-A107 PolarHBondContact N-O 3.39Å; V37-Y109 HydrophobicContact CG2-CD2 4.13Å; V37-Y109 HydrophobicContact CG2-CE2 3.6Å; V37-A130 HydrophobicContact CB-CB 4.45Å; V37-A130 HydrophobicContact CG1-CB 4.31Å
38R97.7Very high92.7Very high9 Ų926.6 Ų26.63%0.03415%0.153CC..Hα-helixtrans-59.9-51.8-176.5-174.5-179.4-42.7-66.2-4113.1W36 N40 V41 Y42 D129 A130 L133 W395W36-R38 VanDerWaalsContact C-N 3.32Å; W36-R38 PolarHBondContact O-N 3.49Å; R38-N40 PolarHBondContact O-N 3.37Å; R38-V41 PolarHBondContact O-N 3.18Å; R38-V41 VanDerWaalsContact O-N 3.11Å; R38-Y42 HydrophobicContact CG-CD2 3.83Å; R38-Y42 HydrophobicContact CG-CE2 3.73Å; R38-Y42 WeakPolarHBondContact O-CD2 3.31Å; R38-Y42 PolarHBondContact O-N 2.93Å; R38-D129 IonicContact CZ-OD1 3.42Å; R38-D129 IonicContact CZ-OD2 2.75Å; R38-D129 IonicContact NE-OD2 2.85Å; R38-D129 IonicContact NH1-OD1 2.88Å; R38-D129 IonicContact NH1-OD2 2.73Å; R38-D129 PolarHBondContact NH1-OD2 3.38Å; R38-D129 IonicContact NH2-OD1 3.61Å; R38-D129 PolarHBondContact NH2-OD1 2.95Å; R38-D129 IonicContact NH2-OD2 3.66Å; R38-D129 PolarHBondContact NH2-OD2 3.11Å; R38-A130 VanDerWaalsContact NH2-CB 3.33Å; R38-L133 HydrophobicContact CG-CD2 3.93Å; R38-W395 HydrophobicContact CG-CE3 4.28Å; R38-W395 HydrophobicContact CG-CZ3 4.28Å
39D95.5Very high93.3Very high20 Ų2025.5 Ų25.511%0.10715%0.147CC..Hα-helixtrans-60.4-38.9-179.5-69.214.9000110.9W36 A43 L394W36-D39 HydrophobicContact CB-CB 4.15Å; D39-A43 WeakPolarHBondContact O-CB 3.42Å; D39-A43 PolarHBondContact O-N 3Å; D39-L394 HydrophobicContact CB-CB 4.48Å; D39-L394 HydrophobicContact CB-CD2 3.98Å; D39-L394 HydrophobicContact CB-CG 4.38Å
40N97.1Very high94Very high1 Ų120.8 Ų20.81%0.00512%0.116CC..Hα-helixtrans-66.5-40.4175.4-84.6-97.9000112.3F24 W36 V37 R38 A43 V44 V77 L81F24-N40 PolarHBondContact N-OD1 3.43Å; F24-N40 PolarHBondContact O-ND2 3.42Å; F24-N40 VanDerWaalsContact O-ND2 3.14Å; W36-N40 WeakPolarHBondContact O-CB 3.43Å; W36-N40 PolarHBondContact O-N 2.97Å; W36-N40 VanDerWaalsContact O-N 3.09Å; W36-N40 PolarHBondContact O-ND2 2.9Å; V37-N40 PolarHBondContact O-N 3.42Å; R38-N40 PolarHBondContact O-N 3.37Å; N40-A43 WeakPolarHBondContact O-CB 3.24Å; N40-A43 PolarHBondContact O-N 3.45Å; N40-V44 WeakPolarHBondContact O-CG2 3.5Å; N40-V44 PolarHBondContact O-N 3.49Å; N40-V77 HydrophobicContact CB-CG1 4.2Å; N40-L81 HydrophobicContact CB-CD1 4.08Å; N40-L81 HydrophobicContact CB-CD2 4.29Å
41V98.2Very high94.4Very high0 Ų017.2 Ų17.20%08%0.079CC..Hα-helixtrans-66.6-41.2177.4177.50000111.4V37 R38 V44 H45 M78 L81 L133 Y134 T137V37-V41 HydrophobicContact CG1-CG2 4.34Å; V37-V41 VanDerWaalsContact O-CG2 3.3Å; V37-V41 WeakPolarHBondContact O-CG2 3.28Å; V37-V41 PolarHBondContact O-N 3.27Å; R38-V41 PolarHBondContact O-N 3.18Å; R38-V41 VanDerWaalsContact O-N 3.11Å; V41-V44 WeakPolarHBondContact O-CB 3.09Å; V41-V44 PolarHBondContact O-N 2.99Å; V41-H45 PolarHBondContact O-CD2 3.29Å; V41-H45 VanDerWaalsContact O-CD2 3.28Å; V41-H45 PolarHBondContact O-N 3.3Å; V41-H45 VanDerWaalsContact O-N 3.1Å; V41-M78 HydrophobicContact CG2-SD 4.38Å; V41-L81 HydrophobicContact CG2-CD1 3.7Å; V41-L133 HydrophobicContact CB-CD2 4.25Å; V41-L133 HydrophobicContact CB-CG 4.32Å; V41-L133 HydrophobicContact CG1-CD1 4.36Å; V41-L133 HydrophobicContact CG1-CD2 4.14Å; V41-L133 HydrophobicContact CG1-CG 3.76Å; V41-Y134 HydrophobicContact CG2-CD2 4.23Å; V41-T137 HydrophobicContact CG1-CG2 3.98Å; V41-T137 WeakPolarHBondContact CG1-OG1 3.41Å
42Y96.9Very high94.7Very high1 Ų114.4 Ų14.40%0.0047%0.067CC..Hα-helixtrans-67.6-35.2173.4-78.3-66.7000112.6R38 V44 H45 C46 L133 P259 Y327 W395 S398 L399R38-Y42 HydrophobicContact CG-CD2 3.83Å; R38-Y42 HydrophobicContact CG-CE2 3.73Å; R38-Y42 WeakPolarHBondContact O-CD2 3.31Å; R38-Y42 PolarHBondContact O-N 2.93Å; Y42-V44 VanDerWaalsContact C-N 3.27Å; Y42-V44 PolarHBondContact O-N 3.39Å; Y42-H45 AromaticContact CD1-ND1 3.63Å; Y42-H45 AromaticContact CE1-ND1 3.92Å; Y42-H45 WeakPolarHBondContact O-CB 3.48Å; Y42-H45 PolarHBondContact O-N 3.25Å; Y42-H45 VanDerWaalsContact O-N 3.08Å; Y42-C46 PolarHBondContact O-N 3.16Å; Y42-L133 HydrophobicContact CD2-CD2 3.9Å; Y42-L133 HydrophobicContact CE2-CD2 3.35Å; Y42-P259 HydrophobicContact CE1-CG 4.44Å; Y42-Y327 WeakPolarHBondContact CE1-OH 3.45Å; Y42-Y327 PolarHBondContact OH-OH 3.21Å; Y42-W395 AromaticContact CD1-CD1 3.86Å; Y42-W395 AromaticContact CD1-NE1 3.79Å; Y42-W395 AromaticContact CD2-CD1 3.21Å; Y42-W395 AromaticContact CD2-CD2 3.83Å; Y42-W395 HydrophobicContact CD2-CD2 3.83Å; Y42-W395 AromaticContact CD2-CE2 3.54Å; Y42-W395 AromaticContact CD2-CG 3.68Å; Y42-W395 HydrophobicContact CD2-CG 3.68Å; Y42-W395 HydrophobicContact CD2-CZ2 4.32Å; Y42-W395 AromaticContact CD2-NE1 3.13Å; Y42-W395 AromaticContact CE1-NE1 3.77Å; Y42-W395 AromaticContact CE2-CD1 3.72Å; Y42-W395 HydrophobicContact CE2-CD2 4.01Å; Y42-W395 AromaticContact CE2-CE2 3.28Å; Y42-W395 HydrophobicContact CE2-CG 4.28Å; Y42-W395 AromaticContact CE2-CZ2 3.64Å; Y42-W395 HydrophobicContact CE2-CZ2 3.64Å; Y42-W395 AromaticContact CE2-NE1 3.08Å; Y42-W395 AromaticContact CG-CD1 3.29Å; Y42-W395 HydrophobicContact CG-CG 4.07Å; Y42-W395 AromaticContact CG-NE1 3.5Å; Y42-W395 AromaticContact CZ-CE2 3.94Å; Y42-W395 AromaticContact CZ-NE1 3.44Å; Y42-S398 WeakPolarHBondContact O-CB 3.34Å; Y42-L399 HydrophobicContact CD1-CD2 3.87Å; Y42-L399 HydrophobicContact CD1-CG 4.27Å; Y42-L399 HydrophobicContact CE1-CD2 4.09Å
43A94.8Very high95Very high0 Ų05.4 Ų5.40%03%0.028CC..Hα-helixtrans-59.5-40.4170.600000111.6F24 D39 N40 H45 C46 V47 L394 S398F24-A43 HydrophobicContact CD1-CB 4.46Å; F24-A43 HydrophobicContact CD2-CB 3.46Å; F24-A43 VanDerWaalsContact CD2-CB 3.46Å; F24-A43 HydrophobicContact CE1-CB 4.42Å; F24-A43 HydrophobicContact CE2-CB 3.42Å; F24-A43 VanDerWaalsContact CE2-CB 3.42Å; F24-A43 HydrophobicContact CG-CB 3.99Å; F24-A43 HydrophobicContact CZ-CB 3.93Å; D39-A43 WeakPolarHBondContact O-CB 3.42Å; D39-A43 PolarHBondContact O-N 3Å; N40-A43 WeakPolarHBondContact O-CB 3.24Å; N40-A43 PolarHBondContact O-N 3.45Å; A43-H45 VanDerWaalsContact C-N 3.31Å; A43-H45 PolarHBondContact O-N 2.84Å; A43-C46 WeakPolarHBondContact O-CB 3.46Å; A43-C46 PolarHBondContact O-N 3.3Å; A43-V47 WeakPolarHBondContact O-CG2 3.38Å; A43-V47 PolarHBondContact O-N 3.02Å; A43-L394 HydrophobicContact CB-CD1 3.77Å; A43-L394 HydrophobicContact CB-CD2 4.1Å; A43-L394 HydrophobicContact CB-CG 4.01Å; A43-S398 VanDerWaalsContact CA-OG 3.32Å; A43-S398 WeakPolarHBondContact CA-OG 2.93Å
44V96.7Very high95Very high0 Ų05.9 Ų5.90%03%0.026CC..Hα-helixtrans-60-39.3172.4169.10000111.7N40 V41 Y42 C46 V47 W48 C74 V77 M78 T137 M141N40-V44 WeakPolarHBondContact O-CG2 3.5Å; N40-V44 PolarHBondContact O-N 3.49Å; V41-V44 WeakPolarHBondContact O-CB 3.09Å; V41-V44 PolarHBondContact O-N 2.99Å; Y42-V44 VanDerWaalsContact C-N 3.27Å; Y42-V44 PolarHBondContact O-N 3.39Å; V44-C46 VanDerWaalsContact C-N 3.31Å; V44-C46 PolarHBondContact O-N 3.45Å; V44-V47 PolarHBondContact O-N 3.06Å; V44-W48 WeakPolarHBondContact O-CB 3.5Å; V44-W48 PolarHBondContact O-N 3.09Å; V44-C74 HydrophobicContact CG1-CB 4.08Å; V44-V77 HydrophobicContact CG2-CB 3.59Å; V44-V77 HydrophobicContact CG2-CG1 3.54Å; V44-V77 HydrophobicContact CG2-CG2 4.14Å; V44-M78 HydrophobicContact CB-SD 4.4Å; V44-M78 HydrophobicContact CG1-CG 4.01Å; V44-M78 HydrophobicContact CG1-SD 4.21Å; V44-M78 HydrophobicContact CG2-CG 4.08Å; V44-M78 HydrophobicContact CG2-SD 4.1Å; V44-T137 HydrophobicContact CG1-CG2 4.37Å; V44-M141 HydrophobicContact CG1-CE 4.18Å; V44-M141 HydrophobicContact CG1-SD 3.61Å
45H96.2Very high94.7Very high5 Ų59.8 Ų9.82%0.0234%0.04CC..Hα-helixtrans-59.6-41.6176.1-65.6-177.3000112.1V41 Y42 A43 G49 T137 Y258 L402V41-H45 PolarHBondContact O-CD2 3.29Å; V41-H45 VanDerWaalsContact O-CD2 3.28Å; V41-H45 PolarHBondContact O-N 3.3Å; V41-H45 VanDerWaalsContact O-N 3.1Å; Y42-H45 AromaticContact CD1-ND1 3.63Å; Y42-H45 AromaticContact CE1-ND1 3.92Å; Y42-H45 WeakPolarHBondContact O-CB 3.48Å; Y42-H45 PolarHBondContact O-N 3.25Å; Y42-H45 VanDerWaalsContact O-N 3.08Å; A43-H45 VanDerWaalsContact C-N 3.31Å; A43-H45 PolarHBondContact O-N 2.84Å; H45-G49 PolarHBondContact O-N 2.82Å; H45-T137 WeakPolarHBondContact NE2-CG2 3.07Å; H45-T137 PolarHBondContact NE2-OG1 2.91Å; H45-Y258 VanDerWaalsContact CG-OH 3.32Å; H45-Y258 AromaticContact ND1-CE1 3.64Å; H45-Y258 AromaticContact ND1-CZ 3.66Å; H45-Y258 PolarHBondContact ND1-OH 3.03Å; H45-L402 HydrophobicContact CB-CD2 4.36Å
46C93.6Very high94.3Very high0 Ų012.9 Ų12.90%06%0.056CC..Hα-helixtrans-63.9-52.2175.31690000112.1Y42 A43 V44 W48 G49 L50 I401Y42-C46 PolarHBondContact O-N 3.16Å; A43-C46 WeakPolarHBondContact O-CB 3.46Å; A43-C46 PolarHBondContact O-N 3.3Å; V44-C46 VanDerWaalsContact C-N 3.31Å; V44-C46 PolarHBondContact O-N 3.45Å; C46-W48 VanDerWaalsContact C-N 3.26Å; C46-W48 PolarHBondContact O-N 3.39Å; C46-G49 PolarHBondContact O-N 3Å; C46-L50 PolarHBondContact O-N 3.35Å; C46-I401 WeakPolarHBondContact SG-CD1 3.31Å; C46-I401 WeakPolarHBondContact SG-CG2 3.49Å
47V94Very high93.7Very high1 Ų115 Ų151%0.0067%0.067CC..Hα-helixtrans-63.1-36.3-179.5-178.40000111.1Y12 F24 A43 V44 L50 A51 L70 T73 C74Y12-V47 HydrophobicContact CD2-CG2 3.58Å; Y12-V47 HydrophobicContact CE2-CG1 4.48Å; Y12-V47 HydrophobicContact CE2-CG2 3.45Å; Y12-V47 VanDerWaalsContact CE2-CG2 3.45Å; F24-V47 HydrophobicContact CZ-CG2 4.03Å; A43-V47 WeakPolarHBondContact O-CG2 3.38Å; A43-V47 PolarHBondContact O-N 3.02Å; V44-V47 PolarHBondContact O-N 3.06Å; V47-L50 WeakPolarHBondContact O-CB 3.42Å; V47-L50 PolarHBondContact O-N 2.72Å; V47-A51 WeakPolarHBondContact O-CB 3.32Å; V47-A51 PolarHBondContact O-N 3.13Å; V47-L70 HydrophobicContact CG1-CB 4.08Å; V47-L70 HydrophobicContact CG1-CD2 3.84Å; V47-L70 WeakPolarHBondContact CG1-O 3.47Å; V47-T73 HydrophobicContact CG1-CG2 4.02Å; V47-C74 VanDerWaalsContact C-SG 3.59Å; V47-C74 WeakPolarHBondContact CG1-SG 3.12Å
48W95.2Very high92.8Very high4 Ų415.8 Ų15.82%0.0157%0.073CC..Hα-helixtrans-68.8-43176.6-17734.6000111V44 C46 L50 A51 L52 C74 Q140 M141 S144 E415 P418V44-W48 WeakPolarHBondContact O-CB 3.5Å; V44-W48 PolarHBondContact O-N 3.09Å; C46-W48 VanDerWaalsContact C-N 3.26Å; C46-W48 PolarHBondContact O-N 3.39Å; W48-L50 VanDerWaalsContact C-N 3.32Å; W48-L50 PolarHBondContact O-N 2.92Å; W48-A51 WeakPolarHBondContact O-CB 3.48Å; W48-A51 PolarHBondContact O-N 3.38Å; W48-A51 VanDerWaalsContact O-N 3.17Å; W48-L52 HydrophobicContact CD2-CD1 4.38Å; W48-L52 HydrophobicContact CG-CD1 4.5Å; W48-L52 HydrophobicContact CZ2-CD1 4.36Å; W48-L52 VanDerWaalsContact O-CG 3.24Å; W48-L52 WeakPolarHBondContact O-CG 3.41Å; W48-L52 PolarHBondContact O-N 2.84Å; W48-C74 VanDerWaalsContact CA-SG 3.56Å; W48-C74 PolarHBondContact N-SG 3.18Å; W48-Q140 HydrophobicContact CH2-CB 4.09Å; W48-Q140 HydrophobicContact CZ3-CB 4.28Å; W48-M141 HydrophobicContact CD2-CG 4.29Å; W48-M141 HydrophobicContact CE3-CG 4.32Å; W48-S144 VanDerWaalsContact CZ2-CB 3.49Å; W48-S144 WeakPolarHBondContact CZ2-OG 3.45Å; W48-E415 WeakPolarHBondContact CZ2-O 3.45Å; W48-P418 HydrophobicContact CH2-CG 4.2Å
49G94.2Very high91.9Very high0 Ų022.1 Ų22.10%011%0.108CC..Hα-helixtrans-57.1-4317100000112.7H45 C46 L52 A53 I411H45-G49 PolarHBondContact O-N 2.82Å; C46-G49 PolarHBondContact O-N 3Å; G49-L52 PolarHBondContact O-N 3.45Å; G49-A53 PolarHBondContact O-N 2.94Å; G49-I411 VanDerWaalsContact O-CG2 3.31Å; G49-I411 WeakPolarHBondContact O-CG2 3.25Å
50L92.3Very high91.1Very high0 Ų025 Ų250%013%0.126CC..Hα-helixtrans-61.6-47.4173.2-76.9169.3000111.4T8 C46 V47 W48 L52 A53 Y54 L70 L405T8-L50 HydrophobicContact CG2-CD1 4.34Å; T8-L50 HydrophobicContact CG2-CD2 3.45Å; T8-L50 VanDerWaalsContact CG2-CD2 3.45Å; T8-L50 HydrophobicContact CG2-CG 4.23Å; C46-L50 PolarHBondContact O-N 3.35Å; V47-L50 WeakPolarHBondContact O-CB 3.42Å; V47-L50 PolarHBondContact O-N 2.72Å; W48-L50 VanDerWaalsContact C-N 3.32Å; W48-L50 PolarHBondContact O-N 2.92Å; L50-L52 VanDerWaalsContact C-N 3.3Å; L50-L52 PolarHBondContact O-N 3.21Å; L50-A53 WeakPolarHBondContact O-CB 3.18Å; L50-A53 PolarHBondContact O-N 3.39Å; L50-A53 VanDerWaalsContact O-N 3.11Å; L50-Y54 VanDerWaalsContact O-CD2 3.31Å; L50-Y54 WeakPolarHBondContact O-CD2 3.33Å; L50-Y54 PolarHBondContact O-N 2.81Å; L50-L70 HydrophobicContact CB-CD1 3.89Å; L50-L405 HydrophobicContact CD2-CD1 4.11Å; L50-L405 HydrophobicContact CD2-CD2 4.22Å; L50-L405 HydrophobicContact CG-CD1 4.17Å
51A92.9Very high90.2Very high1 Ų130.6 Ų30.61%0.00816%0.156CC..Hα-helixtrans-57.4-44.1178.100000112.1V47 W48 Y54 R55 L70 E71V47-A51 WeakPolarHBondContact O-CB 3.32Å; V47-A51 PolarHBondContact O-N 3.13Å; W48-A51 WeakPolarHBondContact O-CB 3.48Å; W48-A51 PolarHBondContact O-N 3.38Å; W48-A51 VanDerWaalsContact O-N 3.17Å; A51-Y54 PolarHBondContact O-N 3.26Å; A51-R55 WeakPolarHBondContact O-CB 3.49Å; A51-R55 PolarHBondContact O-N 2.99Å; A51-L70 HydrophobicContact CB-CB 3.73Å; A51-E71 HydrophobicContact CB-CG 3.72Å
52L92.5Very high89.4Confident1 Ų133.7 Ų33.71%0.00518%0.181CC..Hα-helixtrans-60.9-44174.5-67.5171.8000111.7W48 G49 L50 Y54 R55 N56 I411 E415 L416W48-L52 HydrophobicContact CD2-CD1 4.38Å; W48-L52 HydrophobicContact CG-CD1 4.5Å; W48-L52 HydrophobicContact CZ2-CD1 4.36Å; W48-L52 VanDerWaalsContact O-CG 3.24Å; W48-L52 WeakPolarHBondContact O-CG 3.41Å; W48-L52 PolarHBondContact O-N 2.84Å; G49-L52 PolarHBondContact O-N 3.45Å; L50-L52 VanDerWaalsContact C-N 3.3Å; L50-L52 PolarHBondContact O-N 3.21Å; L52-Y54 PolarHBondContact O-N 3.43Å; L52-R55 WeakPolarHBondContact O-CB 3.25Å; L52-R55 PolarHBondContact O-N 3.4Å; L52-N56 WeakPolarHBondContact O-CB 3.46Å; L52-N56 VanDerWaalsContact O-CG 3.22Å; L52-N56 PolarHBondContact O-N 3.43Å; L52-N56 PolarHBondContact O-ND2 3.36Å; L52-I411 HydrophobicContact CB-CG2 3.67Å; L52-E415 HydrophobicContact CD1-CB 3.97Å; L52-E415 HydrophobicContact CD2-CB 4.37Å; L52-L416 HydrophobicContact CD1-CD2 3.86Å
53A91.8Very high88.8Confident1 Ų136.1 Ų36.11%0.00819%0.194CC..Hα-helixtrans-60.1-46.8176.900000111.7G49 L50 N56 H57 L405 L410 I411G49-A53 PolarHBondContact O-N 2.94Å; L50-A53 WeakPolarHBondContact O-CB 3.18Å; L50-A53 PolarHBondContact O-N 3.39Å; L50-A53 VanDerWaalsContact O-N 3.11Å; A53-N56 PolarHBondContact O-N 3.01Å; A53-H57 WeakPolarHBondContact O-CB 3.28Å; A53-H57 PolarHBondContact O-CD2 3.41Å; A53-H57 VanDerWaalsContact O-CD2 3.3Å; A53-H57 PolarHBondContact O-N 2.92Å; A53-H57 VanDerWaalsContact O-N 3.14Å; A53-L405 HydrophobicContact CB-CD2 4.42Å; A53-L410 HydrophobicContact CB-CB 3.96Å; A53-I411 HydrophobicContact CB-CG2 3.9Å
54Y90.6Very high88.4Confident21 Ų2142.7 Ų42.78%0.08222%0.219CC..Hα-helixtrans-61.9-43.9174.6-84.5-86000111.2N5 L50 A51 L52 N56 H57 A58 D63 T66 L70N5-Y54 WeakPolarHBondContact ND2-CE2 3.35Å; N5-Y54 VanDerWaalsContact ND2-CZ 3.34Å; N5-Y54 WeakPolarHBondContact OD1-CE2 3.41Å; L50-Y54 VanDerWaalsContact O-CD2 3.31Å; L50-Y54 WeakPolarHBondContact O-CD2 3.33Å; L50-Y54 PolarHBondContact O-N 2.81Å; A51-Y54 PolarHBondContact O-N 3.26Å; L52-Y54 PolarHBondContact O-N 3.43Å; Y54-N56 VanDerWaalsContact C-N 3.27Å; Y54-N56 PolarHBondContact O-N 2.77Å; Y54-H57 PolarHBondContact O-N 2.76Å; Y54-A58 WeakPolarHBondContact O-CA 3.33Å; Y54-A58 WeakPolarHBondContact O-CB 3.45Å; Y54-A58 PolarHBondContact O-N 2.91Å; Y54-D63 HydrophobicContact CD1-CB 3.94Å; Y54-D63 WeakPolarHBondContact CD1-O 3.39Å; Y54-D63 HydrophobicContact CE1-CB 4.31Å; Y54-T66 HydrophobicContact CD1-CG2 4.17Å; Y54-T66 HydrophobicContact CD2-CG2 4.33Å; Y54-T66 HydrophobicContact CE1-CG2 3.76Å; Y54-T66 HydrophobicContact CE2-CG2 3.96Å; Y54-T66 HydrophobicContact CG-CG2 4.44Å; Y54-L70 HydrophobicContact CD2-CD1 3.6Å; Y54-L70 HydrophobicContact CE2-CD1 3.9Å; Y54-L70 HydrophobicContact CG-CD1 4.45Å
55R87.5Confident88Confident116 Ų11645.4 Ų45.444%0.43824%0.238SC..Hα-helixtrans-59.4-38177.8-171.4176.870.8-171.79112.9A51 L52 E71 E415A51-R55 WeakPolarHBondContact O-CB 3.49Å; A51-R55 PolarHBondContact O-N 2.99Å; L52-R55 WeakPolarHBondContact O-CB 3.25Å; L52-R55 PolarHBondContact O-N 3.4Å; R55-E71 IonicContact NH1-OE1 2.67Å; R55-E415 IonicContact NH2-OE1 3.93Å
56N87.8Confident87.6Confident66 Ų6646.5 Ų46.535%0.35325%0.245SC..Hα-helixtrans-76.5-25.8-178.6-71.6-15.8000113.6L52 A53 Y54 L410 E415L52-N56 WeakPolarHBondContact O-CB 3.46Å; L52-N56 VanDerWaalsContact O-CG 3.22Å; L52-N56 PolarHBondContact O-N 3.43Å; L52-N56 PolarHBondContact O-ND2 3.36Å; A53-N56 PolarHBondContact O-N 3.01Å; Y54-N56 VanDerWaalsContact C-N 3.27Å; Y54-N56 PolarHBondContact O-N 2.77Å; N56-L410 PolarHBondContact ND2-O 3.21Å; N56-E415 PolarHBondContact ND2-OE1 2.87Å; N56-E415 PolarHBondContact ND2-OE2 3.17Å; N56-E415 PolarHBondContact OD1-OE1 3.37Å
57H85Confident87.5Confident69 Ų6946.7 Ų46.732%0.31925%0.248SC..Hα-helixtrans-125.83.9-169.2-64-73.3000115A53 Y54 D59 L410A53-H57 WeakPolarHBondContact O-CB 3.28Å; A53-H57 PolarHBondContact O-CD2 3.41Å; A53-H57 VanDerWaalsContact O-CD2 3.3Å; A53-H57 PolarHBondContact O-N 2.92Å; A53-H57 VanDerWaalsContact O-N 3.14Å; Y54-H57 PolarHBondContact O-N 2.76Å; H57-D59 PolarHBondContact O-N 3.28Å; H57-L410 PolarHBondContact NE2-O 3.19Å
58A79.1Confident87.4Confident15 Ų1553.3 Ų53.312%0.12427%0.273CS..  trans-72.396.9-178.900000112.6Y54 D63 R64Y54-A58 WeakPolarHBondContact O-CA 3.33Å; Y54-A58 WeakPolarHBondContact O-CB 3.45Å; Y54-A58 PolarHBondContact O-N 2.91Å; A58-D63 HydrophobicContact CB-CB 3.55Å; A58-R64 HydrophobicContact CB-CB 4.44Å; A58-R64 HydrophobicContact CB-CG 3.59Å
59D78.2Confident87.2Confident143 Ų14357.8 Ų57.877%0.76530%0.295SS*.  trans-81.9-29.3173.9-71.7-32.9000112.5H57H57-D59 PolarHBondContact O-N 3.28Å
60V78.4Confident87.2Confident80 Ų8058 Ų5849%0.48530%0.296SS..SBendtrans-113.1154.1-177.4-62.40000111.9A62 D63 R64V60-A62 HydrophobicContact CG2-CB 4.29Å; V60-A62 PolarHBondContact O-N 2.8Å; V60-D63 HydrophobicContact CG2-CB 4.14Å; V60-D63 WeakPolarHBondContact CG2-OD2 3.39Å; V60-D63 PolarHBondContact O-N 3.35Å; V60-D63 VanDerWaalsContact O-N 3.11Å; V60-R64 PolarHBondContact O-N 3.04Å
61D78.6Confident87.3Confident119 Ų11959.8 Ų59.864%0.63630%0.304SS*.Hα-helixtrans-60.8-30-177.6-66.5-28.6000113.2R64 S65D61-R64 PolarHBondContact O-N 3.31Å; D61-R64 IonicContact OD1-CZ 2.84Å; D61-R64 IonicContact OD1-NH1 2.84Å; D61-R64 PolarHBondContact OD1-NH1 3.29Å; D61-S65 PolarHBondContact O-N 3.34Å
62A80.5Confident87.5Confident65 Ų6563.6 Ų63.654%0.53732%0.321SS..Hα-helixtrans-60.8-45.517500000112V60 R64 S65 T66V60-A62 HydrophobicContact CG2-CB 4.29Å; V60-A62 PolarHBondContact O-N 2.8Å; A62-R64 VanDerWaalsContact C-N 3.32Å; A62-R64 PolarHBondContact O-N 3Å; A62-S65 WeakPolarHBondContact O-CB 3.28Å; A62-S65 PolarHBondContact O-N 3.25Å; A62-T66 PolarHBondContact O-N 3.01Å; A62-T66 PolarHBondContact O-OG1 2.62Å
63D85.1Confident87.6Confident51 Ų5164.6 Ų64.627%0.27333%0.328SS..Hα-helixtrans-67.2-35.8179.8-66.9-14.3000111.1Y54 A58 V60 T66 G67Y54-D63 HydrophobicContact CD1-CB 3.94Å; Y54-D63 WeakPolarHBondContact CD1-O 3.39Å; Y54-D63 HydrophobicContact CE1-CB 4.31Å; A58-D63 HydrophobicContact CB-CB 3.55Å; V60-D63 HydrophobicContact CG2-CB 4.14Å; V60-D63 WeakPolarHBondContact CG2-OD2 3.39Å; V60-D63 PolarHBondContact O-N 3.35Å; V60-D63 VanDerWaalsContact O-N 3.11Å; D63-T66 PolarHBondContact O-N 2.98Å; D63-G67 PolarHBondContact O-N 3.21Å
64R86.3Confident87.8Confident138 Ų13864.6 Ų64.652%0.52133%0.327SS..Hα-helixtrans-63.9-41.9173.7-62.7-178.3-173.9137.13111.5A58 V60 D61 A62 G67 Y68A58-R64 HydrophobicContact CB-CB 4.44Å; A58-R64 HydrophobicContact CB-CG 3.59Å; V60-R64 PolarHBondContact O-N 3.04Å; D61-R64 PolarHBondContact O-N 3.31Å; D61-R64 IonicContact OD1-CZ 2.84Å; D61-R64 IonicContact OD1-NH1 2.84Å; D61-R64 PolarHBondContact OD1-NH1 3.29Å; A62-R64 VanDerWaalsContact C-N 3.32Å; A62-R64 PolarHBondContact O-N 3Å; R64-G67 PolarHBondContact O-N 3.11Å; R64-Y68 WeakPolarHBondContact O-CB 3.48Å; R64-Y68 PolarHBondContact O-N 3.11Å
65S88.2Confident88.2Confident58 Ų5864 Ų6441%0.40633%0.326SS..Hα-helixtrans-61.7-45.9175.2-166.50000111.1D61 A62 Y68 E69D61-S65 PolarHBondContact O-N 3.34Å; A62-S65 WeakPolarHBondContact O-CB 3.28Å; A62-S65 PolarHBondContact O-N 3.25Å; S65-Y68 PolarHBondContact O-N 3.38Å; S65-E69 WeakPolarHBondContact O-CG 3.36Å; S65-E69 PolarHBondContact O-N 2.94Å; S65-E69 PolarHBondContact OG-OE1 2.94Å
66T88.4Confident88.7Confident27 Ų2762.4 Ų62.417%0.16632%0.322CS..Hα-helixtrans-62.9-44.5177.6-58.20000111.9Y9 Y54 A62 D63 Y68 E69 L70Y9-T66 HydrophobicContact CD2-CG2 4.4Å; Y9-T66 HydrophobicContact CE2-CG2 3.9Å; Y54-T66 HydrophobicContact CD1-CG2 4.17Å; Y54-T66 HydrophobicContact CD2-CG2 4.33Å; Y54-T66 HydrophobicContact CE1-CG2 3.76Å; Y54-T66 HydrophobicContact CE2-CG2 3.96Å; Y54-T66 HydrophobicContact CG-CG2 4.44Å; A62-T66 PolarHBondContact O-N 3.01Å; A62-T66 PolarHBondContact O-OG1 2.62Å; D63-T66 PolarHBondContact O-N 2.98Å; T66-Y68 VanDerWaalsContact C-N 3.33Å; T66-Y68 PolarHBondContact O-N 3.35Å; T66-E69 PolarHBondContact O-N 2.65Å; T66-L70 HydrophobicContact CG2-CD1 4.08Å; T66-L70 VanDerWaalsContact O-CG 3.27Å; T66-L70 WeakPolarHBondContact O-CG 3.46Å; T66-L70 PolarHBondContact O-N 3.13Å
67G90.1Very high89.1Confident5 Ų559.3 Ų59.35%0.05231%0.306CS..Hα-helixtrans-56.4-47174.300000112.2D63 R64 L70 E71D63-G67 PolarHBondContact O-N 3.21Å; R64-G67 PolarHBondContact O-N 3.11Å; G67-L70 PolarHBondContact O-N 2.97Å; G67-E71 WeakPolarHBondContact O-CG 3.41Å; G67-E71 PolarHBondContact O-N 3.28Å
68Y91.8Very high89.8Confident139 Ų13956 Ų5655%0.54529%0.291SS..Hα-helixtrans-61.6-44.7176.5178.9-98.2000112.6R64 S65 T66 L70 E71 Q72R64-Y68 WeakPolarHBondContact O-CB 3.48Å; R64-Y68 PolarHBondContact O-N 3.11Å; S65-Y68 PolarHBondContact O-N 3.38Å; T66-Y68 VanDerWaalsContact C-N 3.33Å; T66-Y68 PolarHBondContact O-N 3.35Å; Y68-L70 VanDerWaalsContact C-N 3.28Å; Y68-L70 PolarHBondContact O-N 2.87Å; Y68-E71 PolarHBondContact O-N 3.33Å; Y68-Q72 HydrophobicContact CD1-CG 4.07Å; Y68-Q72 HydrophobicContact CE1-CG 3.62Å; Y68-Q72 HydrophobicContact CE2-CG 4.2Å; Y68-Q72 WeakPolarHBondContact O-CG 3.28Å; Y68-Q72 PolarHBondContact O-N 3.49Å
69E92.3Very high90.7Very high99 Ų9958.2 Ų58.246%0.46330%0.296SS..Hα-helixtrans-59.7-38.1176.7-75.2172.1-15600112.5S65 T66 Q72 T73S65-E69 WeakPolarHBondContact O-CG 3.36Å; S65-E69 PolarHBondContact O-N 2.94Å; S65-E69 PolarHBondContact OG-OE1 2.94Å; T66-E69 PolarHBondContact O-N 2.65Å; E69-Q72 PolarHBondContact O-N 3.34Å; E69-T73 WeakPolarHBondContact O-CB 3.39Å; E69-T73 PolarHBondContact O-N 2.89Å; E69-T73 PolarHBondContact O-OG1 2.95Å
70L93.4Very high91.7Very high4 Ų452 Ų522%0.02126%0.264CS..Hα-helixtrans-67.5-43.2175.6-67164.5000111.3Y9 Y12 V47 L50 A51 Y54 T66 G67 Y68 Q72 T73 C74Y9-L70 HydrophobicContact CE2-CD2 4.37Å; Y12-L70 HydrophobicContact CD1-CD2 4.41Å; Y12-L70 HydrophobicContact CE1-CD2 4.27Å; V47-L70 HydrophobicContact CG1-CB 4.08Å; V47-L70 HydrophobicContact CG1-CD2 3.84Å; V47-L70 WeakPolarHBondContact CG1-O 3.47Å; L50-L70 HydrophobicContact CB-CD1 3.89Å; A51-L70 HydrophobicContact CB-CB 3.73Å; Y54-L70 HydrophobicContact CD2-CD1 3.6Å; Y54-L70 HydrophobicContact CE2-CD1 3.9Å; Y54-L70 HydrophobicContact CG-CD1 4.45Å; T66-L70 HydrophobicContact CG2-CD1 4.08Å; T66-L70 VanDerWaalsContact O-CG 3.27Å; T66-L70 WeakPolarHBondContact O-CG 3.46Å; T66-L70 PolarHBondContact O-N 3.13Å; G67-L70 PolarHBondContact O-N 2.97Å; Y68-L70 VanDerWaalsContact C-N 3.28Å; Y68-L70 PolarHBondContact O-N 2.87Å; L70-Q72 VanDerWaalsContact C-N 3.34Å; L70-Q72 PolarHBondContact O-N 2.93Å; L70-T73 WeakPolarHBondContact O-CB 3.5Å; L70-T73 PolarHBondContact O-N 2.87Å; L70-T73 VanDerWaalsContact O-N 3.13Å; L70-C74 PolarHBondContact O-N 2.94Å; L70-C74 PolarHBondContact O-SG 3.26Å; L70-C74 VanDerWaalsContact O-SG 3.4Å
71E95.1Very high92.6Very high37 Ų3748.2 Ų48.217%0.17324%0.241CC..Hα-helixtrans-58.1-45.7173.3-68.8-174.4162.100111.5A51 R55 G67 Y68 T73 C74 V75 L146A51-E71 HydrophobicContact CB-CG 3.72Å; R55-E71 IonicContact NH1-OE1 2.67Å; G67-E71 WeakPolarHBondContact O-CG 3.41Å; G67-E71 PolarHBondContact O-N 3.28Å; Y68-E71 PolarHBondContact O-N 3.33Å; E71-T73 VanDerWaalsContact C-N 3.27Å; E71-T73 PolarHBondContact O-N 3.04Å; E71-C74 WeakPolarHBondContact O-CB 3.42Å; E71-C74 PolarHBondContact O-N 2.59Å; E71-V75 WeakPolarHBondContact O-CG2 3.48Å; E71-V75 PolarHBondContact O-N 2.99Å; E71-L146 HydrophobicContact CB-CD2 3.88Å; E71-L146 HydrophobicContact CG-CD2 4.02Å
72Q96Very high93.6Very high81 Ų8142.6 Ų42.638%0.37921%0.211SC..Hα-helixtrans-64.9-32.3177.1-64.8-49-56.500112.3Y68 E69 L70 V75 K76Y68-Q72 HydrophobicContact CD1-CG 4.07Å; Y68-Q72 HydrophobicContact CE1-CG 3.62Å; Y68-Q72 HydrophobicContact CE2-CG 4.2Å; Y68-Q72 WeakPolarHBondContact O-CG 3.28Å; Y68-Q72 PolarHBondContact O-N 3.49Å; E69-Q72 PolarHBondContact O-N 3.34Å; L70-Q72 VanDerWaalsContact C-N 3.34Å; L70-Q72 PolarHBondContact O-N 2.93Å; Q72-V75 PolarHBondContact O-N 2.99Å; Q72-K76 VanDerWaalsContact O-CB 3.3Å; Q72-K76 WeakPolarHBondContact O-CB 3.38Å; Q72-K76 PolarHBondContact O-N 3.32Å
73T95.2Very high94.5Very high23 Ų2341 Ų4114%0.14120%0.198CC..Hα-helixtrans-63.5-47.9172.7-61.70000110.8Y12 L17 V47 E69 L70 E71 V75 K76 V77Y12-T73 HydrophobicContact CE2-CG2 4.49Å; Y12-T73 WeakPolarHBondContact OH-CG2 3.34Å; L17-T73 HydrophobicContact CD2-CG2 4.04Å; V47-T73 HydrophobicContact CG1-CG2 4.02Å; E69-T73 WeakPolarHBondContact O-CB 3.39Å; E69-T73 PolarHBondContact O-N 2.89Å; E69-T73 PolarHBondContact O-OG1 2.95Å; L70-T73 WeakPolarHBondContact O-CB 3.5Å; L70-T73 PolarHBondContact O-N 2.87Å; L70-T73 VanDerWaalsContact O-N 3.13Å; E71-T73 VanDerWaalsContact C-N 3.27Å; E71-T73 PolarHBondContact O-N 3.04Å; T73-V75 VanDerWaalsContact C-N 3.34Å; T73-V75 PolarHBondContact O-N 2.93Å; T73-K76 PolarHBondContact O-N 3.21Å; T73-V77 HydrophobicContact CG2-CG2 4.34Å; T73-V77 WeakPolarHBondContact O-CG2 3.42Å; T73-V77 PolarHBondContact O-N 3.27Å
74C96.6Very high95.1Very high0 Ų038.7 Ų38.70%019%0.185CC..Hα-helixtrans-56.6-48175.5-64.90000111.7V44 V47 W48 L70 E71 K76 V77 M78 M141V44-C74 HydrophobicContact CG1-CB 4.08Å; V47-C74 VanDerWaalsContact C-SG 3.59Å; V47-C74 WeakPolarHBondContact CG1-SG 3.12Å; W48-C74 VanDerWaalsContact CA-SG 3.56Å; W48-C74 PolarHBondContact N-SG 3.18Å; L70-C74 PolarHBondContact O-N 2.94Å; L70-C74 PolarHBondContact O-SG 3.26Å; L70-C74 VanDerWaalsContact O-SG 3.4Å; E71-C74 WeakPolarHBondContact O-CB 3.42Å; E71-C74 PolarHBondContact O-N 2.59Å; C74-K76 VanDerWaalsContact C-N 3.34Å; C74-K76 PolarHBondContact O-N 3.04Å; C74-V77 PolarHBondContact O-N 3.22Å; C74-M78 WeakPolarHBondContact O-CG 3.34Å; C74-M78 PolarHBondContact O-N 3.18Å; C74-M78 VanDerWaalsContact O-N 3.11Å; C74-M141 HydrophobicContact CB-CE 3.62Å
75V97.9Very high95.7Very high10 Ų1032.1 Ų32.16%0.06116%0.16CC..Hα-helixtrans-58.6-46.4177.2171.60000110.7E71 Q72 T73 V77 M78 R79 L146 Q147 V148 F150E71-V75 WeakPolarHBondContact O-CG2 3.48Å; E71-V75 PolarHBondContact O-N 2.99Å; Q72-V75 PolarHBondContact O-N 2.99Å; T73-V75 VanDerWaalsContact C-N 3.34Å; T73-V75 PolarHBondContact O-N 2.93Å; V75-V77 PolarHBondContact O-N 3.27Å; V75-M78 PolarHBondContact O-N 3Å; V75-R79 HydrophobicContact CG1-CG 4.23Å; V75-R79 WeakPolarHBondContact O-CB 3.43Å; V75-R79 VanDerWaalsContact O-CG 3.23Å; V75-R79 WeakPolarHBondContact O-CG 3.13Å; V75-R79 PolarHBondContact O-N 3.29Å; V75-L146 HydrophobicContact CG2-CB 4.44Å; V75-Q147 WeakPolarHBondContact CG1-O 3.47Å; V75-V148 HydrophobicContact CG2-CG2 4.47Å; V75-F150 HydrophobicContact CG1-CZ 4.19Å
76K97.8Very high96.2Very high81 Ų8132.1 Ų32.135%0.35216%0.155SC..Hα-helixtrans-61.8-45.4-179.2-171.6176.9-178.7179.60112.7P19 V20 Q72 T73 C74 R79 S80P19-K76 PolarHBondContact O-NZ 3.07Å; V20-K76 WeakPolarHBondContact O-CE 3.41Å; V20-K76 PolarHBondContact O-NZ 3.19Å; Q72-K76 VanDerWaalsContact O-CB 3.3Å; Q72-K76 WeakPolarHBondContact O-CB 3.38Å; Q72-K76 PolarHBondContact O-N 3.32Å; T73-K76 PolarHBondContact O-N 3.21Å; C74-K76 VanDerWaalsContact C-N 3.34Å; C74-K76 PolarHBondContact O-N 3.04Å; K76-R79 PolarHBondContact O-N 3.29Å; K76-S80 WeakPolarHBondContact O-CB 3.43Å; K76-S80 PolarHBondContact O-N 3.05Å; K76-S80 PolarHBondContact O-OG 3.36Å
77V97.8Very high96.6Very high1 Ų137.8 Ų37.81%0.00617%0.173CC..Hα-helixtrans-61.7-50.3178.9-177.60000110.1L17 G22 L23 F24 N40 V44 T73 C74 V75 R79 S80 L81L17-V77 HydrophobicContact CD1-CG2 4.18Å; G22-V77 WeakPolarHBondContact O-CG2 3.46Å; L23-V77 HydrophobicContact CD2-CG1 4.29Å; F24-V77 HydrophobicContact CD2-CG1 4.3Å; F24-V77 HydrophobicContact CD2-CG2 4.32Å; F24-V77 HydrophobicContact CE2-CG1 4.29Å; F24-V77 HydrophobicContact CE2-CG2 3.7Å; F24-V77 HydrophobicContact CZ-CG2 4.49Å; N40-V77 HydrophobicContact CB-CG1 4.2Å; V44-V77 HydrophobicContact CG2-CB 3.59Å; V44-V77 HydrophobicContact CG2-CG1 3.54Å; V44-V77 HydrophobicContact CG2-CG2 4.14Å; T73-V77 HydrophobicContact CG2-CG2 4.34Å; T73-V77 WeakPolarHBondContact O-CG2 3.42Å; T73-V77 PolarHBondContact O-N 3.27Å; C74-V77 PolarHBondContact O-N 3.22Å; V75-V77 PolarHBondContact O-N 3.27Å; V77-R79 VanDerWaalsContact C-N 3.34Å; V77-R79 PolarHBondContact O-N 3.38Å; V77-S80 WeakPolarHBondContact O-CB 3.4Å; V77-S80 PolarHBondContact O-N 2.98Å; V77-S80 VanDerWaalsContact O-N 3.14Å; V77-L81 PolarHBondContact O-N 3.3Å
78M98.6Very high97Very high0 Ų038.3 Ų38.30%017%0.174CC..Hα-helixtrans-64.2-38.7-178.1-67.7-63.3-75.200112.1V41 V44 C74 V75 S80 L81 L82 Y134 T137 L138 M141 V148V41-M78 HydrophobicContact CG2-SD 4.38Å; V44-M78 HydrophobicContact CB-SD 4.4Å; V44-M78 HydrophobicContact CG1-CG 4.01Å; V44-M78 HydrophobicContact CG1-SD 4.21Å; V44-M78 HydrophobicContact CG2-CG 4.08Å; V44-M78 HydrophobicContact CG2-SD 4.1Å; C74-M78 WeakPolarHBondContact O-CG 3.34Å; C74-M78 PolarHBondContact O-N 3.18Å; C74-M78 VanDerWaalsContact O-N 3.11Å; V75-M78 PolarHBondContact O-N 3Å; M78-S80 VanDerWaalsContact C-N 3.34Å; M78-S80 PolarHBondContact O-N 3.32Å; M78-L81 PolarHBondContact O-N 2.89Å; M78-L81 HydrophobicContact SD-CD1 4.31Å; M78-L82 PolarHBondContact O-N 3.24Å; M78-Y134 HydrophobicContact CB-CE2 4.41Å; M78-Y134 HydrophobicContact CE-CD2 3.42Å; M78-Y134 VanDerWaalsContact CE-CD2 3.42Å; M78-Y134 HydrophobicContact CE-CE2 3.38Å; M78-Y134 HydrophobicContact CE-CG 4.24Å; M78-Y134 PolarHBondContact O-OH 2.91Å; M78-Y134 HydrophobicContact SD-CD2 3.97Å; M78-Y134 HydrophobicContact SD-CE2 3.97Å; M78-T137 HydrophobicContact CE-CG2 3.99Å; M78-T137 HydrophobicContact SD-CG2 4.39Å; M78-L138 HydrophobicContact CE-CB 4.22Å; M78-M141 HydrophobicContact CE-SD 4.39Å; M78-M141 HydrophobicContact CG-CE 4.07Å; M78-M141 HydrophobicContact CG-SD 3.74Å; M78-M141 HydrophobicContact SD-SD 4.47Å; M78-V148 HydrophobicContact CB-CG1 3.69Å; M78-V148 HydrophobicContact CB-CG2 4.22Å
79R98.5Very high97.3Very high61 Ų6134.4 Ų34.423%0.2317%0.167CC..Hα-helixtrans-64.6-36.9173.6-75.1-172.561.767.37.4112.9V75 K76 V77 L82 A83 V148 F150 E154V75-R79 HydrophobicContact CG1-CG 4.23Å; V75-R79 WeakPolarHBondContact O-CB 3.43Å; V75-R79 VanDerWaalsContact O-CG 3.23Å; V75-R79 WeakPolarHBondContact O-CG 3.13Å; V75-R79 PolarHBondContact O-N 3.29Å; K76-R79 PolarHBondContact O-N 3.29Å; V77-R79 VanDerWaalsContact C-N 3.34Å; V77-R79 PolarHBondContact O-N 3.38Å; R79-L82 WeakPolarHBondContact O-CB 3.38Å; R79-L82 PolarHBondContact O-N 3.17Å; R79-A83 WeakPolarHBondContact O-CB 3.22Å; R79-A83 PolarHBondContact O-N 2.88Å; R79-V148 WeakPolarHBondContact CD-O 3.29Å; R79-V148 HydrophobicContact CG-CG1 4Å; R79-V148 WeakPolarHBondContact CG-O 3.46Å; R79-V148 PolarHBondContact NH1-O 2.89Å; R79-F150 VanDerWaalsContact CD-CE2 3.5Å; R79-F150 VanDerWaalsContact CZ-CE2 3.44Å; R79-E154 IonicContact CZ-OE1 3.04Å; R79-E154 IonicContact CZ-OE2 2.9Å; R79-E154 IonicContact NH1-OE1 3.93Å; R79-E154 PolarHBondContact NH1-OE1 3.36Å; R79-E154 VanDerWaalsContact NH1-OE1 3.12Å; R79-E154 IonicContact NH1-OE2 2.82Å; R79-E154 PolarHBondContact NH1-OE2 2.99Å; R79-E154 IonicContact NH2-OE1 3.12Å; R79-E154 PolarHBondContact NH2-OE1 2.93Å; R79-E154 IonicContact NH2-OE2 3.17Å
80S98.6Very high97.5Very high14 Ų1436.4 Ų36.410%0.09817%0.174CC..Hα-helixtrans-68.2-38.5175.6-81.60000112.5T21 K76 V77 M78 A83 C84T21-S80 VanDerWaalsContact O-CB 3.29Å; T21-S80 WeakPolarHBondContact O-CB 3.39Å; T21-S80 PolarHBondContact O-OG 3.3Å; K76-S80 WeakPolarHBondContact O-CB 3.43Å; K76-S80 PolarHBondContact O-N 3.05Å; K76-S80 PolarHBondContact O-OG 3.36Å; V77-S80 WeakPolarHBondContact O-CB 3.4Å; V77-S80 PolarHBondContact O-N 2.98Å; V77-S80 VanDerWaalsContact O-N 3.14Å; M78-S80 VanDerWaalsContact C-N 3.34Å; M78-S80 PolarHBondContact O-N 3.32Å; S80-A83 PolarHBondContact O-N 2.92Å; S80-C84 PolarHBondContact O-N 3Å; S80-C84 PolarHBondContact O-SG 3.07Å
81L98.7Very high97.8Very high0 Ų037.4 Ų37.40%018%0.179CC..Hα-helixtrans-61.9-44.3169.5-67.2177000111.5L23 V37 N40 V41 V77 M78 A83 C84 F85 Y134L23-L81 HydrophobicContact CD2-CD2 3.81Å; L23-L81 HydrophobicContact CD2-CG 3.99Å; V37-L81 HydrophobicContact CG2-CD2 4.35Å; N40-L81 HydrophobicContact CB-CD1 4.08Å; N40-L81 HydrophobicContact CB-CD2 4.29Å; V41-L81 HydrophobicContact CG2-CD1 3.7Å; V77-L81 PolarHBondContact O-N 3.3Å; M78-L81 PolarHBondContact O-N 2.89Å; M78-L81 HydrophobicContact SD-CD1 4.31Å; L81-A83 VanDerWaalsContact C-N 3.31Å; L81-A83 PolarHBondContact O-N 3.11Å; L81-C84 VanDerWaalsContact O-CB 3.29Å; L81-C84 WeakPolarHBondContact O-CB 3.3Å; L81-C84 PolarHBondContact O-N 3.48Å; L81-C84 VanDerWaalsContact O-N 3.14Å; L81-F85 HydrophobicContact CB-CE2 4.07Å; L81-F85 HydrophobicContact CB-CZ 4.13Å; L81-F85 WeakPolarHBondContact O-CD2 3.24Å; L81-F85 WeakPolarHBondContact O-CE2 3.4Å; L81-F85 WeakPolarHBondContact O-CG 3.45Å; L81-F85 PolarHBondContact O-N 2.99Å; L81-Y134 HydrophobicContact CB-CD2 3.99Å; L81-Y134 HydrophobicContact CB-CE2 3.77Å; L81-Y134 HydrophobicContact CD1-CD2 3.94Å; L81-Y134 HydrophobicContact CD1-CE2 4.35Å
82L98.8Very high97.9Very high1 Ų135.7 Ų35.71%0.00517%0.17CC..Hα-helixtrans-56.3-45.8173.9-17254.9000111.7M78 R79 C84 F85 M86 Y134 E154 F157 V158M78-L82 PolarHBondContact O-N 3.24Å; R79-L82 WeakPolarHBondContact O-CB 3.38Å; R79-L82 PolarHBondContact O-N 3.17Å; L82-C84 PolarHBondContact O-N 2.97Å; L82-F85 PolarHBondContact O-N 3.2Å; L82-F85 VanDerWaalsContact O-N 3.16Å; L82-M86 HydrophobicContact CD1-CG 4.35Å; L82-M86 HydrophobicContact CD1-SD 4.49Å; L82-M86 HydrophobicContact CG-CG 4.36Å; L82-M86 HydrophobicContact CG-SD 4.04Å; L82-M86 WeakPolarHBondContact O-CB 3.15Å; L82-M86 VanDerWaalsContact O-CG 3.3Å; L82-M86 WeakPolarHBondContact O-CG 3.33Å; L82-M86 PolarHBondContact O-N 3.12Å; L82-Y134 WeakPolarHBondContact CB-OH 3.47Å; L82-E154 HydrophobicContact CD2-CB 4.05Å; L82-E154 HydrophobicContact CD2-CG 4.03Å; L82-F157 HydrophobicContact CD1-CD1 3.84Å; L82-F157 HydrophobicContact CD1-CE1 4.32Å; L82-V158 HydrophobicContact CD1-CG2 4.08Å
83A98.5Very high97.9Very high32 Ų3235.5 Ų35.526%0.26417%0.17SC..Hα-helixtrans-63.1-39.1177.200000112.4R79 S80 L81 F85 M86 R87 L114R79-A83 WeakPolarHBondContact O-CB 3.22Å; R79-A83 PolarHBondContact O-N 2.88Å; S80-A83 PolarHBondContact O-N 2.92Å; L81-A83 VanDerWaalsContact C-N 3.31Å; L81-A83 PolarHBondContact O-N 3.11Å; A83-F85 VanDerWaalsContact C-N 3.31Å; A83-F85 PolarHBondContact O-N 3.4Å; A83-M86 PolarHBondContact O-N 3Å; A83-R87 WeakPolarHBondContact O-CD 3.42Å; A83-R87 VanDerWaalsContact O-CG 3.22Å; A83-R87 WeakPolarHBondContact O-CG 3.37Å; A83-R87 PolarHBondContact O-N 3.12Å; A83-L114 HydrophobicContact CB-CD1 4.01Å
84C98.7Very high98.1Very high1 Ų137 Ų371%0.00718%0.177CC..Hα-helixtrans-57.2-44.2171.7-72.20000111.8S80 L81 L82 Q88 Y109S80-C84 PolarHBondContact O-N 3Å; S80-C84 PolarHBondContact O-SG 3.07Å; L81-C84 VanDerWaalsContact O-CB 3.29Å; L81-C84 WeakPolarHBondContact O-CB 3.3Å; L81-C84 PolarHBondContact O-N 3.48Å; L81-C84 VanDerWaalsContact O-N 3.14Å; L82-C84 PolarHBondContact O-N 2.97Å; C84-Q88 PolarHBondContact O-NE2 2.95Å; C84-Y109 HydrophobicContact CB-CD1 3.67Å; C84-Y109 HydrophobicContact CB-CD2 3.93Å; C84-Y109 HydrophobicContact CB-CE1 3.63Å; C84-Y109 HydrophobicContact CB-CE2 3.92Å; C84-Y109 HydrophobicContact CB-CG 3.81Å; C84-Y109 VanDerWaalsContact SG-CG 3.58Å
85F98.7Very high98.1Very high0 Ų037.1 Ų37.10%018%0.177CC..Hα-helixtrans-69.7-45.4178.8-52.9-34.4000111.8V37 L81 L82 A83 R87 Q88 S89 L105 Y109 I131 Y134 F157 L161V37-F85 HydrophobicContact CG1-CE1 4.37Å; V37-F85 HydrophobicContact CG1-CZ 3.81Å; V37-F85 HydrophobicContact CG2-CE1 3.71Å; V37-F85 HydrophobicContact CG2-CZ 3.95Å; L81-F85 HydrophobicContact CB-CE2 4.07Å; L81-F85 HydrophobicContact CB-CZ 4.13Å; L81-F85 WeakPolarHBondContact O-CD2 3.24Å; L81-F85 WeakPolarHBondContact O-CE2 3.4Å; L81-F85 WeakPolarHBondContact O-CG 3.45Å; L81-F85 PolarHBondContact O-N 2.99Å; L82-F85 PolarHBondContact O-N 3.2Å; L82-F85 VanDerWaalsContact O-N 3.16Å; A83-F85 VanDerWaalsContact C-N 3.31Å; A83-F85 PolarHBondContact O-N 3.4Å; F85-R87 VanDerWaalsContact C-N 3.26Å; F85-R87 PolarHBondContact O-N 3.08Å; F85-Q88 CarbonylContact O-C 3.49Å; F85-Q88 WeakPolarHBondContact O-CA 3.18Å; F85-Q88 PolarHBondContact O-N 3.06Å; F85-S89 PolarHBondContact O-N 2.92Å; F85-L105 HydrophobicContact CB-CD1 4.41Å; F85-L105 HydrophobicContact CD1-CD1 4.17Å; F85-L105 HydrophobicContact CG-CD1 4.39Å; F85-Y109 HydrophobicContact CD1-CE2 4.45Å; F85-Y109 HydrophobicContact CE1-CE2 4.09Å; F85-I131 HydrophobicContact CD1-CD1 4.29Å; F85-I131 HydrophobicContact CE1-CD1 3.75Å; F85-I131 HydrophobicContact CZ-CD1 3.96Å; F85-Y134 HydrophobicContact CD2-CD1 4.33Å; F85-Y134 HydrophobicContact CD2-CE1 4.21Å; F85-Y134 AromaticContact CE2-CD1 3.64Å; F85-Y134 HydrophobicContact CE2-CD1 3.64Å; F85-Y134 AromaticContact CE2-CD2 3.82Å; F85-Y134 HydrophobicContact CE2-CD2 3.82Å; F85-Y134 AromaticContact CE2-CE1 3.86Å; F85-Y134 HydrophobicContact CE2-CE1 3.86Å; F85-Y134 HydrophobicContact CE2-CE2 4Å; F85-Y134 AromaticContact CE2-CG 3.65Å; F85-Y134 HydrophobicContact CE2-CG 3.65Å; F85-Y134 HydrophobicContact CZ-CD2 4.4Å; F85-Y134 HydrophobicContact CZ-CG 4.26Å; F85-F157 HydrophobicContact CB-CE1 3.54Å; F85-F157 HydrophobicContact CB-CZ 3.89Å; F85-F157 VanDerWaalsContact O-CZ 3.29Å; F85-F157 WeakPolarHBondContact O-CZ 3.38Å; F85-L161 HydrophobicContact CD2-CD1 4.03Å
86M98.6Very high97.8Very high58 Ų5839.8 Ų39.829%0.28619%0.188SC..Hα-helixtrans-60.6-34.6179.9-72.8-179.282.900112.7L82 A83 Q88 S89 E154 F157L82-M86 HydrophobicContact CD1-CG 4.35Å; L82-M86 HydrophobicContact CD1-SD 4.49Å; L82-M86 HydrophobicContact CG-CG 4.36Å; L82-M86 HydrophobicContact CG-SD 4.04Å; L82-M86 WeakPolarHBondContact O-CB 3.15Å; L82-M86 VanDerWaalsContact O-CG 3.3Å; L82-M86 WeakPolarHBondContact O-CG 3.33Å; L82-M86 PolarHBondContact O-N 3.12Å; A83-M86 PolarHBondContact O-N 3Å; M86-Q88 PolarHBondContact O-N 2.95Å; M86-S89 VanDerWaalsContact O-CB 3.24Å; M86-S89 WeakPolarHBondContact O-CB 3.23Å; M86-S89 PolarHBondContact O-N 3.18Å; M86-S89 PolarHBondContact O-OG 3.47Å; M86-S89 VanDerWaalsContact O-OG 3.12Å; M86-E154 HydrophobicContact CE-CG 4.13Å; M86-E154 HydrophobicContact SD-CG 3.91Å; M86-F157 HydrophobicContact CB-CD1 4.49Å; M86-F157 HydrophobicContact CB-CE1 4.43Å; M86-F157 HydrophobicContact CB-CZ 4.49Å; M86-F157 HydrophobicContact CE-CB 4.34Å; M86-F157 HydrophobicContact CG-CB 4.2Å; M86-F157 HydrophobicContact CG-CD1 3.4Å; M86-F157 HydrophobicContact CG-CD2 4.03Å; M86-F157 HydrophobicContact CG-CE1 3.72Å; M86-F157 HydrophobicContact CG-CE2 4.32Å; M86-F157 HydrophobicContact CG-CG 3.57Å; M86-F157 HydrophobicContact CG-CZ 4.17Å
87R98Very high97.6Very high146 Ų14641.2 Ų41.255%0.55121%0.208SC*.THydrogen-bonded Turntrans-62.7-20.3173-74.7170176.3-154.26.3113.5A83 F85 S113 L114A83-R87 WeakPolarHBondContact O-CD 3.42Å; A83-R87 VanDerWaalsContact O-CG 3.22Å; A83-R87 WeakPolarHBondContact O-CG 3.37Å; A83-R87 PolarHBondContact O-N 3.12Å; F85-R87 VanDerWaalsContact C-N 3.26Å; F85-R87 PolarHBondContact O-N 3.08Å; R87-S113 PolarHBondContact NH1-O 3.2Å; R87-L114 PolarHBondContact NH1-O 3Å
88Q97.8Very high97.5Very high17 Ų1743.4 Ų43.48%0.07922%0.224CC..THydrogen-bonded Turntrans-107.323.6174.1-69.5174.696.800112.6C84 F85 M86 K90 K91 V92 L105 H106 Y109C84-Q88 PolarHBondContact O-NE2 2.95Å; F85-Q88 CarbonylContact O-C 3.49Å; F85-Q88 WeakPolarHBondContact O-CA 3.18Å; F85-Q88 PolarHBondContact O-N 3.06Å; M86-Q88 PolarHBondContact O-N 2.95Å; Q88-K90 PolarHBondContact O-N 3.47Å; Q88-K91 HydrophobicContact CB-CB 4.36Å; Q88-K91 HydrophobicContact CB-CD 4.34Å; Q88-K91 HydrophobicContact CB-CG 4.23Å; Q88-K91 HydrophobicContact CG-CD 4.29Å; Q88-K91 WeakPolarHBondContact O-CA 3.47Å; Q88-K91 WeakPolarHBondContact O-CB 3.39Å; Q88-K91 PolarHBondContact O-N 3.33Å; Q88-V92 PolarHBondContact O-N 3.21Å; Q88-L105 HydrophobicContact CB-CD2 3.57Å; Q88-L105 HydrophobicContact CG-CD2 4.48Å; Q88-H106 PolarHBondContact OE1-CD2 2.89Å; Q88-H106 VanDerWaalsContact OE1-N 3.17Å; Q88-Y109 VanDerWaalsContact NE2-CZ 3.33Å; Q88-Y109 PolarHBondContact NE2-OH 3.4Å
89S97.9Very high97.4Very high57 Ų5746.4 Ų46.440%0.39924%0.238SC..Hα-helixtrans-50.7-35.6178.552.80000113.7F85 M86 K91 V92 E93F85-S89 PolarHBondContact O-N 2.92Å; M86-S89 VanDerWaalsContact O-CB 3.24Å; M86-S89 WeakPolarHBondContact O-CB 3.23Å; M86-S89 PolarHBondContact O-N 3.18Å; M86-S89 PolarHBondContact O-OG 3.47Å; M86-S89 VanDerWaalsContact O-OG 3.12Å; S89-K91 VanDerWaalsContact C-N 3.31Å; S89-K91 PolarHBondContact O-N 3.21Å; S89-V92 PolarHBondContact O-N 3.35Å; S89-E93 PolarHBondContact O-N 2.9Å
90K97.5Very high97.1Very high140 Ų14044.7 Ų44.761%0.60924%0.236SC*.Hα-helixtrans-61.3-37.1175.2-17555.4179.4156.40113.2Q88 N94Q88-K90 PolarHBondContact O-N 3.47Å; K90-N94 WeakPolarHBondContact CE-OD1 3.49Å; K90-N94 PolarHBondContact NZ-OD1 2.81Å; K90-N94 PolarHBondContact O-N 3.48Å; K90-N94 PolarHBondContact O-OD1 3.18Å
91K97.8Very high96.9Very high26 Ų2646.8 Ų46.811%0.11325%0.25CC..Hα-helixtrans-66.5-47.1175.4-58.1-162.180.2-175.80110.3Q88 S89 E93 N94 F95 K102 D103 S104 D120Q88-K91 HydrophobicContact CB-CB 4.36Å; Q88-K91 HydrophobicContact CB-CD 4.34Å; Q88-K91 HydrophobicContact CB-CG 4.23Å; Q88-K91 HydrophobicContact CG-CD 4.29Å; Q88-K91 WeakPolarHBondContact O-CA 3.47Å; Q88-K91 WeakPolarHBondContact O-CB 3.39Å; Q88-K91 PolarHBondContact O-N 3.33Å; S89-K91 VanDerWaalsContact C-N 3.31Å; S89-K91 PolarHBondContact O-N 3.21Å; K91-E93 VanDerWaalsContact C-N 3.31Å; K91-E93 PolarHBondContact O-N 2.88Å; K91-N94 PolarHBondContact O-N 2.6Å; K91-N94 VanDerWaalsContact O-N 3.12Å; K91-F95 WeakPolarHBondContact O-CB 3.44Å; K91-F95 PolarHBondContact O-N 2.99Å; K91-K102 WeakPolarHBondContact CE-O 3.44Å; K91-K102 PolarHBondContact NZ-O 3.42Å; K91-D103 CarbonylContact C-O 3.01Å; K91-D103 WeakPolarHBondContact CB-O 3.36Å; K91-S104 WeakPolarHBondContact CE-O 3.42Å; K91-S104 PolarHBondContact NZ-O 3.4Å; K91-D120 IonicContact NZ-OD1 3.5Å; K91-D120 PolarHBondContact NZ-OD1 3.02Å; K91-D120 IonicContact NZ-OD2 2.89Å
92V97.7Very high96.7Very high0 Ų053 Ų530%028%0.277CS..Hα-helixtrans-55.2-46176.4-179.50000111.5Q88 S89 F95 K96 L105 F157 N160 L161 Y164Q88-V92 PolarHBondContact O-N 3.21Å; S89-V92 PolarHBondContact O-N 3.35Å; V92-F95 PolarHBondContact O-N 3.43Å; V92-K96 PolarHBondContact O-N 3.43Å; V92-L105 HydrophobicContact CG2-CD1 4Å; V92-L105 HydrophobicContact CG2-CD2 3.63Å; V92-L105 HydrophobicContact CG2-CG 3.9Å; V92-F157 HydrophobicContact CG2-CE2 4.27Å; V92-F157 HydrophobicContact CG2-CZ 4Å; V92-N160 HydrophobicContact CG1-CB 4.12Å; V92-L161 HydrophobicContact CG2-CD2 4.21Å; V92-Y164 HydrophobicContact CG1-CD2 4.35Å
93E97.3Very high96.6Very high77 Ų7753.9 Ų53.936%0.3628%0.281SS..Hα-helixtrans-65.1-41.5177-69.7-53137.200113.2S89 K91 F95 K96 N160S89-E93 PolarHBondContact O-N 2.9Å; K91-E93 VanDerWaalsContact C-N 3.31Å; K91-E93 PolarHBondContact O-N 2.88Å; E93-F95 VanDerWaalsContact C-N 3.34Å; E93-K96 IonicContact OE1-NZ 3.71Å; E93-K96 PolarHBondContact OE1-NZ 3.12Å; E93-K96 IonicContact OE2-NZ 3.83Å; E93-K96 PolarHBondContact OE2-NZ 3.01Å; E93-N160 PolarHBondContact OE1-ND2 3.25Å
94N97.7Very high96.5Very high54 Ų5452.4 Ų52.429%0.28927%0.269SS..Hα-helixtrans-65.6-39.4176.7-68.1-6.9000111.6K90 K91 K96 S97 S98 D103K90-N94 WeakPolarHBondContact CE-OD1 3.49Å; K90-N94 PolarHBondContact NZ-OD1 2.81Å; K90-N94 PolarHBondContact O-N 3.48Å; K90-N94 PolarHBondContact O-OD1 3.18Å; K91-N94 PolarHBondContact O-N 2.6Å; K91-N94 VanDerWaalsContact O-N 3.12Å; N94-K96 VanDerWaalsContact C-N 3.29Å; N94-K96 PolarHBondContact O-N 3.45Å; N94-S97 PolarHBondContact O-N 3.44Å; N94-S98 PolarHBondContact O-N 3.49Å; N94-S98 PolarHBondContact O-OG 2.92Å; N94-D103 HydrophobicContact CB-CB 4.05Å; N94-D103 WeakPolarHBondContact CB-OD1 3.48Å; N94-D103 PolarHBondContact ND2-OD1 3.11Å
95F97.3Very high96.5Very high3 Ų352.5 Ų52.51%0.01327%0.27CS..Hα-helixtrans-62.3-33.3-177-168.1-97.4000113K91 V92 E93 S97 S98 Q99 D103 L126 Y164 I171K91-F95 WeakPolarHBondContact O-CB 3.44Å; K91-F95 PolarHBondContact O-N 2.99Å; V92-F95 PolarHBondContact O-N 3.43Å; E93-F95 VanDerWaalsContact C-N 3.34Å; F95-S97 PolarHBondContact O-N 2.79Å; F95-S97 VanDerWaalsContact O-N 3.09Å; F95-S98 PolarHBondContact O-N 2.74Å; F95-Q99 VanDerWaalsContact CE2-C 3.45Å; F95-Q99 HydrophobicContact CZ-CB 4.46Å; F95-Q99 WeakPolarHBondContact O-CA 3.34Å; F95-Q99 PolarHBondContact O-N 2.87Å; F95-D103 HydrophobicContact CB-CB 4.23Å; F95-D103 HydrophobicContact CD2-CB 4.23Å; F95-L126 HydrophobicContact CE2-CD1 3.69Å; F95-L126 HydrophobicContact CE2-CD2 4.36Å; F95-L126 HydrophobicContact CZ-CD1 3.61Å; F95-Y164 HydrophobicContact CB-CD2 3.83Å; F95-Y164 HydrophobicContact CB-CE2 3.78Å; F95-Y164 AromaticContact CD1-CD2 3.32Å; F95-Y164 HydrophobicContact CD1-CD2 3.32Å; F95-Y164 AromaticContact CD1-CE2 3.37Å; F95-Y164 HydrophobicContact CD1-CE2 3.37Å; F95-Y164 HydrophobicContact CD1-CG 4.03Å; F95-Y164 AromaticContact CD2-CE2 3.96Å; F95-Y164 HydrophobicContact CD2-CE2 3.96Å; F95-Y164 HydrophobicContact CE1-CD2 4.01Å; F95-Y164 AromaticContact CE1-CE2 3.88Å; F95-Y164 HydrophobicContact CE1-CE2 3.88Å; F95-Y164 HydrophobicContact CE1-CG 4.41Å; F95-Y164 WeakPolarHBondContact CE1-O 3.49Å; F95-Y164 HydrophobicContact CE2-CE2 4.4Å; F95-Y164 AromaticContact CG-CD2 3.69Å; F95-Y164 HydrophobicContact CG-CD2 3.69Å; F95-Y164 AromaticContact CG-CE2 3.41Å; F95-Y164 HydrophobicContact CG-CE2 3.41Å; F95-Y164 VanDerWaalsContact CG-CE2 3.41Å; F95-Y164 HydrophobicContact CZ-CE2 4.36Å; F95-I171 HydrophobicContact CE1-CD1 4.05Å; F95-I171 HydrophobicContact CZ-CD1 4.27Å; F95-I171 HydrophobicContact CZ-CG2 4.15Å
96K92.7Very high96.5Very high66 Ų6652.6 Ų52.629%0.28727%0.27SS..Hα-helixtrans-52.8-32.2173.1-67.5173.1-177.61740112.8V92 E93 N94 N160 F163V92-K96 PolarHBondContact O-N 3.43Å; E93-K96 IonicContact OE1-NZ 3.71Å; E93-K96 PolarHBondContact OE1-NZ 3.12Å; E93-K96 IonicContact OE2-NZ 3.83Å; E93-K96 PolarHBondContact OE2-NZ 3.01Å; N94-K96 VanDerWaalsContact C-N 3.29Å; N94-K96 PolarHBondContact O-N 3.45Å; K96-N160 VanDerWaalsContact NZ-CG 3.32Å; K96-N160 PolarHBondContact NZ-OD1 3.32Å; K96-F163 HydrophobicContact CG-CB 4.49Å
97S92.9Very high96.3Very high111 Ų11150.1 Ų50.178%0.77626%0.259SS*.Hα-helixtrans-97.7-42179.3-55.30000112.5N94 F95N94-S97 PolarHBondContact O-N 3.44Å; F95-S97 PolarHBondContact O-N 2.79Å; F95-S97 VanDerWaalsContact O-N 3.09Å
98S96Very high96.2Very high47 Ų4743.1 Ų43.133%0.32923%0.232SC..Hα-helixtrans-88.7-33.9-170.171.20000114N94 F95 A100 D103N94-S98 PolarHBondContact O-N 3.49Å; N94-S98 PolarHBondContact O-OG 2.92Å; F95-S98 PolarHBondContact O-N 2.74Å; S98-A100 PolarHBondContact O-N 3.22Å; S98-A100 PolarHBondContact OG-N 3.36Å; S98-D103 VanDerWaalsContact CB-OD2 3.25Å; S98-D103 WeakPolarHBondContact CB-OD2 3.34Å; S98-D103 WeakPolarHBondContact OG-CB 3.35Å; S98-D103 VanDerWaalsContact OG-CG 3.3Å; S98-D103 PolarHBondContact OG-OD2 3.08Å
99Q95.2Very high96.2Very high63 Ų6342.4 Ų42.429%0.29423%0.229SC..  trans48.124.4-170.5-59.6174.5-0.600112.9F95 I171F95-Q99 VanDerWaalsContact CE2-C 3.45Å; F95-Q99 HydrophobicContact CZ-CB 4.46Å; F95-Q99 WeakPolarHBondContact O-CA 3.34Å; F95-Q99 PolarHBondContact O-N 2.87Å; Q99-I171 HydrophobicContact CB-CD1 4.12Å; Q99-I171 HydrophobicContact CB-CG1 4.31Å; Q99-I171 HydrophobicContact CG-CD1 3.84Å; Q99-I171 HydrophobicContact CG-CG1 4.37Å
100A93.9Very high96.1Very high25 Ų2540.5 Ų40.521%0.20722%0.216CC..  trans-95.7145.9-171.500000111S98 K102 D103 S104S98-A100 PolarHBondContact O-N 3.22Å; S98-A100 PolarHBondContact OG-N 3.36Å; A100-K102 HydrophobicContact CB-CG 4.14Å; A100-K102 PolarHBondContact O-N 3.4Å; A100-K102 VanDerWaalsContact O-N 3.13Å; A100-D103 PolarHBondContact O-N 3.1Å; A100-S104 PolarHBondContact O-N 3.01Å
101P94Very high96Very high58 Ų5834 Ų3438%0.37719%0.188SC..G310 helixtrans-52-38.3178.5-30.135.6000114.7D103 S104 L126 F174 P188P101-D103 PolarHBondContact O-N 3.2Å; P101-S104 WeakPolarHBondContact O-CB 3.42Å; P101-S104 PolarHBondContact O-N 3.17Å; P101-S104 PolarHBondContact O-OG 3.18Å; P101-L126 HydrophobicContact CB-CB 4.48Å; P101-L126 HydrophobicContact CB-CD2 4.41Å; P101-L126 HydrophobicContact CG-CD2 4.05Å; P101-F174 HydrophobicContact CB-CE2 4.29Å; P101-P188 HydrophobicContact CG-CG 4.12Å
102K94.5Very high95.9Very high130 Ų13038.5 Ų38.557%0.56521%0.209SC*.G310 helixtrans-59.6-30.617869178.1-174.51750114K91 A100 S104K91-K102 WeakPolarHBondContact CE-O 3.44Å; K91-K102 PolarHBondContact NZ-O 3.42Å; A100-K102 HydrophobicContact CB-CG 4.14Å; A100-K102 PolarHBondContact O-N 3.4Å; A100-K102 VanDerWaalsContact O-N 3.13Å; K102-S104 VanDerWaalsContact C-N 3.35Å
103D95.9Very high95.8Very high20 Ų2041 Ų4111%0.10723%0.227CC..G310 helixtrans-94.55.8-179.4-66.1-59.1000111.7K91 N94 F95 S98 A100 P101K91-D103 CarbonylContact C-O 3.01Å; K91-D103 WeakPolarHBondContact CB-O 3.36Å; N94-D103 HydrophobicContact CB-CB 4.05Å; N94-D103 WeakPolarHBondContact CB-OD1 3.48Å; N94-D103 PolarHBondContact ND2-OD1 3.11Å; F95-D103 HydrophobicContact CB-CB 4.23Å; F95-D103 HydrophobicContact CD2-CB 4.23Å; S98-D103 VanDerWaalsContact CB-OD2 3.25Å; S98-D103 WeakPolarHBondContact CB-OD2 3.34Å; S98-D103 WeakPolarHBondContact OG-CB 3.35Å; S98-D103 VanDerWaalsContact OG-CG 3.3Å; S98-D103 PolarHBondContact OG-OD2 3.08Å; A100-D103 PolarHBondContact O-N 3.1Å; P101-D103 PolarHBondContact O-N 3.2Å
104S97.2Very high95.9Very high1 Ų138.2 Ų38.21%0.00721%0.214CC..SBendtrans-73.2153.4178.469.90000112.9K91 A100 P101 K102 L126 Y164K91-S104 WeakPolarHBondContact CE-O 3.42Å; K91-S104 PolarHBondContact NZ-O 3.4Å; A100-S104 PolarHBondContact O-N 3.01Å; P101-S104 WeakPolarHBondContact O-CB 3.42Å; P101-S104 PolarHBondContact O-N 3.17Å; P101-S104 PolarHBondContact O-OG 3.18Å; K102-S104 VanDerWaalsContact C-N 3.35Å; S104-L126 PolarHBondContact OG-N 3.4Å; S104-Y164 WeakPolarHBondContact CA-OH 3.4Å; S104-Y164 WeakPolarHBondContact CB-OH 3.49Å
105L98.1Very high95.9Very high3 Ų338.1 Ų38.12%0.01622%0.217CC..PPolyproline II helixtrans-65.2143.7168.7-74.3174.2000110.9F85 Q88 V92 H125 I131 L161 Y164F85-L105 HydrophobicContact CB-CD1 4.41Å; F85-L105 HydrophobicContact CD1-CD1 4.17Å; F85-L105 HydrophobicContact CG-CD1 4.39Å; Q88-L105 HydrophobicContact CB-CD2 3.57Å; Q88-L105 HydrophobicContact CG-CD2 4.48Å; V92-L105 HydrophobicContact CG2-CD1 4Å; V92-L105 HydrophobicContact CG2-CD2 3.63Å; V92-L105 HydrophobicContact CG2-CG 3.9Å; L105-H125 VanDerWaalsContact O-O 3.11Å; L105-I131 HydrophobicContact CB-CD1 4.29Å; L105-I131 HydrophobicContact CD1-CD1 3.82Å; L105-I131 HydrophobicContact CD1-CG1 4.19Å; L105-L161 HydrophobicContact CD1-CD2 3.69Å; L105-Y164 HydrophobicContact CD1-CE1 4.49Å; L105-Y164 HydrophobicContact CG-CE2 4.23Å; L105-Y164 PolarHBondContact N-OH 3.28Å
106H97.7Very high95.8Very high3 Ų341.3 Ų41.31%0.01424%0.237CC..PPolyproline II helixtrans-64.4137.9172.3-78.5-134.5000111.6Q88 Y109 T116 V118 D120 H125Q88-H106 PolarHBondContact OE1-CD2 2.89Å; Q88-H106 VanDerWaalsContact OE1-N 3.17Å; H106-Y109 HydrophobicContact CB-CE1 4.01Å; H106-Y109 WeakPolarHBondContact O-CE2 3.49Å; H106-Y109 PolarHBondContact O-OH 3.4Å; H106-T116 HydrophobicContact CB-CG2 4.17Å; H106-T116 WeakPolarHBondContact ND1-CB 3.29Å; H106-T116 VanDerWaalsContact ND1-CG2 3.26Å; H106-T116 WeakPolarHBondContact ND1-CG2 3.37Å; H106-V118 PolarHBondContact CE1-O 3.4Å; H106-D120 IonicContact CD2-OD1 2.71Å; H106-D120 IonicContact CE1-OD1 3.82Å; H106-D120 IonicContact NE2-OD1 3.96Å; H106-D120 PolarHBondContact NE2-OD1 2.89Å; H106-H125 AromaticContact CD2-CD2 3.99Å; H106-H125 AromaticContact CE1-CD2 3.84Å; H106-H125 AromaticContact CE1-CE1 3.88Å; H106-H125 AromaticContact CE1-NE2 3.3Å; H106-H125 PolarHBondContact CE1-NE2 2.83Å; H106-H125 VanDerWaalsContact CE1-NE2 3.3Å; H106-H125 AromaticContact CG-CE1 3.76Å; H106-H125 AromaticContact CG-NE2 3.82Å; H106-H125 AromaticContact ND1-CE1 3.44Å; H106-H125 PolarHBondContact ND1-CE1 3.41Å; H106-H125 AromaticContact ND1-NE2 3.36Å; H106-H125 PolarHBondContact ND1-NE2 3.03Å; H106-H125 AromaticContact NE2-CD2 3.83Å; H106-H125 AromaticContact NE2-NE2 3.78Å
107A95.2Very high95.9Very high5 Ų540.4 Ų40.44%0.04124%0.237CC..SBendtrans-79.3-17.2176.200000114.2V37 H125 Q127V37-A107 WeakPolarHBondContact CG2-O 3.39Å; V37-A107 PolarHBondContact N-O 3.39Å; A107-H125 PolarHBondContact N-ND1 3.43Å; A107-Q127 HydrophobicContact CB-CG 4.41Å
108K96Very high95.9Very high0 Ų036.7 Ų36.70%021%0.21CC..EExtended strand (participates in β ladder)trans-143.3146.7-177.964.9-175.4-178.4-174.50112.4A35 W36 V117 V118A35-K108 CarbonylContact O-C 3.57Å; A35-K108 VanDerWaalsContact O-CA 3.3Å; A35-K108 WeakPolarHBondContact O-CA 3.45Å; W36-K108 HydrophobicContact CD2-CB 4.07Å; W36-K108 HydrophobicContact CD2-CD 4.34Å; W36-K108 HydrophobicContact CG-CB 4.03Å; W36-K108 HydrophobicContact CH2-CD 4.32Å; W36-K108 HydrophobicContact CZ2-CD 3.69Å; K108-V117 HydrophobicContact CD-CG2 4.34Å; K108-V117 HydrophobicContact CG-CG2 3.85Å; K108-V118 HydrophobicContact CG-CG2 4.48Å
109Y97.7Very high95.8Very high1 Ų135.9 Ų35.90%0.00421%0.209CC..EExtended strand (participates in β ladder)trans-132.6172.3-174.2-59.7-87.1000111.3H34 A35 V37 C84 F85 Q88 H106 S115H34-Y109 CarbonylContact C-O 3.57Å; H34-Y109 WeakPolarHBondContact CA-O 3.38Å; A35-Y109 PolarHBondContact N-O 3.34Å; A35-Y109 PolarHBondContact O-N 2.99Å; V37-Y109 HydrophobicContact CG2-CD2 4.13Å; V37-Y109 HydrophobicContact CG2-CE2 3.6Å; C84-Y109 HydrophobicContact CB-CD1 3.67Å; C84-Y109 HydrophobicContact CB-CD2 3.93Å; C84-Y109 HydrophobicContact CB-CE1 3.63Å; C84-Y109 HydrophobicContact CB-CE2 3.92Å; C84-Y109 HydrophobicContact CB-CG 3.81Å; C84-Y109 VanDerWaalsContact SG-CG 3.58Å; F85-Y109 HydrophobicContact CD1-CE2 4.45Å; F85-Y109 HydrophobicContact CE1-CE2 4.09Å; Q88-Y109 VanDerWaalsContact NE2-CZ 3.33Å; Q88-Y109 PolarHBondContact NE2-OH 3.4Å; H106-Y109 HydrophobicContact CB-CE1 4.01Å; H106-Y109 WeakPolarHBondContact O-CE2 3.49Å; H106-Y109 PolarHBondContact O-OH 3.4Å; Y109-S115 CarbonylContact C-O 3.48Å; Y109-S115 WeakPolarHBondContact CA-O 3.21Å
110S96.5Very high95.6Very high17 Ų1736.5 Ų36.512%0.11921%0.214CC..EExtended strand (participates in β ladder)trans-76.3123.3168.7169.90000109G33 H112 S113 L114 S115 V117G33-S110 WeakPolarHBondContact O-CA 3.32Å; S110-H112 PolarHBondContact O-N 3.32Å; S110-H112 PolarHBondContact OG-N 3.02Å; S110-S113 WeakPolarHBondContact CB-OG 3.48Å; S110-S113 PolarHBondContact OG-N 2.9Å; S110-S113 VanDerWaalsContact OG-N 3.12Å; S110-S113 PolarHBondContact OG-OG 3.33Å; S110-S113 VanDerWaalsContact OG-OG 3.05Å; S110-L114 WeakPolarHBondContact O-CA 3.5Å; S110-L114 PolarHBondContact O-N 2.97Å; S110-S115 PolarHBondContact N-O 2.71Å; S110-V117 VanDerWaalsContact CA-CG1 3.46Å
111S95.6Very high95.4Very high3 Ų342 Ų422%0.02124%0.24CC..THydrogen-bonded Turntrans-62-21.9173.262.80000112.2D18 T21 G33D18-S111 VanDerWaalsContact CB-O 3.29Å; D18-S111 WeakPolarHBondContact CB-O 3.25Å; D18-S111 VanDerWaalsContact CG-O 3.27Å; T21-S111 WeakPolarHBondContact CB-O 3.43Å; T21-S111 WeakPolarHBondContact CG2-O 3.34Å; T21-S111 PolarHBondContact OG1-O 3.28Å; G33-S111 WeakPolarHBondContact CA-OG 3.37Å; G33-S111 PolarHBondContact O-N 2.99Å; G33-S111 PolarHBondContact O-OG 3.48Å
112H94.8Very high95.1Very high121 Ų12144.1 Ų44.156%0.5625%0.248SC*.THydrogen-bonded Turntrans-94.1-33.7-176.9-60.8-56.4000113.4D18 T21 S110D18-H112 IonicContact OD2-CE1 2.65Å; D18-H112 PolarHBondContact OD2-CE1 3.47Å; D18-H112 IonicContact OD2-CG 2.77Å; D18-H112 IonicContact OD2-ND1 3.62Å; D18-H112 PolarHBondContact OD2-ND1 2.91Å; T21-H112 WeakPolarHBondContact CG2-O 3.18Å; S110-H112 PolarHBondContact O-N 3.32Å; S110-H112 PolarHBondContact OG-N 3.02Å
113S96.4Very high94.8Very high54 Ų5441 Ų4138%0.37823%0.233SC..THydrogen-bonded Turntrans-119-10.1-170.268.50000114.9R87 S110 S115R87-S113 PolarHBondContact NH1-O 3.2Å; S110-S113 WeakPolarHBondContact CB-OG 3.48Å; S110-S113 PolarHBondContact OG-N 2.9Å; S110-S113 VanDerWaalsContact OG-N 3.12Å; S110-S113 PolarHBondContact OG-OG 3.33Å; S110-S113 VanDerWaalsContact OG-OG 3.05Å; S113-S115 PolarHBondContact O-N 2.94Å; S113-S115 WeakPolarHBondContact OG-CB 3.31Å; S113-S115 PolarHBondContact OG-N 2.82Å; S113-S115 PolarHBondContact OG-OG 3.21Å
114L98Very high94.5Very high18 Ų1840.5 Ų40.59%0.09423%0.232CC..SBendtrans61.315.5-171.2-47.4175.7000113.9T21 L23 A83 R87 S110T21-L114 HydrophobicContact CG2-CD2 3.65Å; T21-L114 HydrophobicContact CG2-CG 3.81Å; L23-L114 HydrophobicContact CD1-CD2 3.48Å; L23-L114 VanDerWaalsContact CD1-CD2 3.48Å; L23-L114 HydrophobicContact CG-CD2 3.99Å; A83-L114 HydrophobicContact CB-CD1 4.01Å; R87-L114 PolarHBondContact NH1-O 3Å; S110-L114 WeakPolarHBondContact O-CA 3.5Å; S110-L114 PolarHBondContact O-N 2.97Å
115S97.4Very high94.4Very high51 Ų5140.6 Ų40.636%0.35723%0.233SC..SBendtrans-90.1163176.8-56.30000111.1Y109 S110 S113Y109-S115 CarbonylContact C-O 3.48Å; Y109-S115 WeakPolarHBondContact CA-O 3.21Å; S110-S115 PolarHBondContact N-O 2.71Å; S113-S115 PolarHBondContact O-N 2.94Å; S113-S115 WeakPolarHBondContact OG-CB 3.31Å; S113-S115 PolarHBondContact OG-N 2.82Å; S113-S115 PolarHBondContact OG-OG 3.21Å
116T96.7Very high94.3Very high70 Ų7040.5 Ų40.543%0.42923%0.232SC..BIsolated β-bridgetrans-60.6147.9167.257.90000110.3H106H106-T116 HydrophobicContact CB-CG2 4.17Å; H106-T116 WeakPolarHBondContact ND1-CB 3.29Å; H106-T116 VanDerWaalsContact ND1-CG2 3.26Å; H106-T116 WeakPolarHBondContact ND1-CG2 3.37Å
117V95.1Very high94.3Very high48 Ų4840.6 Ų40.629%0.29123%0.233SC..SBendtrans-116.5-11.1-176-74.50000113.8H34 K108 S110H34-V117 WeakPolarHBondContact ND1-CG2 3.34Å; K108-V117 HydrophobicContact CD-CG2 4.34Å; K108-V117 HydrophobicContact CG-CG2 3.85Å; S110-V117 VanDerWaalsContact CA-CG1 3.46Å
118V93Very high94.5Very high33 Ų3340.4 Ų40.420%0.223%0.231CC..SBendtrans-138.1162.5176.8-68.20000108.2H106 K108 D122 W123 H125H106-V118 PolarHBondContact CE1-O 3.4Å; K108-V118 HydrophobicContact CG-CG2 4.48Å; V118-D122 HydrophobicContact CB-CB 4.39Å; V118-W123 HydrophobicContact CG2-CB 4.02Å; V118-W123 HydrophobicContact CG2-CG 4.48Å; V118-H125 WeakPolarHBondContact CG2-CE1 3.46Å; V118-H125 WeakPolarHBondContact CG2-NE2 3.4Å
119G93.2Very high94.6Very high29 Ų2940.5 Ų40.530%0.29923%0.231SC..  trans-75.5165.2177.400000112.9D121 D122 H125G119-D121 VanDerWaalsContact C-N 3.25Å; G119-D121 PolarHBondContact O-N 2.94Å; G119-D122 VanDerWaalsContact CA-OD2 3.24Å; G119-D122 WeakPolarHBondContact CA-OD2 3.37Å; G119-D122 PolarHBondContact N-OD2 2.93Å; G119-D122 PolarHBondContact O-N 3.46Å; G119-H125 PolarHBondContact O-NE2 2.91Å
120D91.7Very high94.6Very high76 Ų7640.6 Ų40.641%0.40623%0.232SC..THydrogen-bonded Turntrans-60.1-32.1-177.2-71.9-39.8000113.8K91 H106K91-D120 IonicContact NZ-OD1 3.5Å; K91-D120 PolarHBondContact NZ-OD1 3.02Å; K91-D120 IonicContact NZ-OD2 2.89Å; H106-D120 IonicContact CD2-OD1 2.71Å; H106-D120 IonicContact CE1-OD1 3.82Å; H106-D120 IonicContact NE2-OD1 3.96Å; H106-D120 PolarHBondContact NE2-OD1 2.89Å
121D88.5Confident94.7Very high140 Ų14040 Ų4075%0.74923%0.228SC*.THydrogen-bonded Turntrans-100-2-177-59.1-51000113.1G119G119-D121 VanDerWaalsContact C-N 3.25Å; G119-D121 PolarHBondContact O-N 2.94Å
122D87.6Confident94.9Very high103 Ų10339.9 Ų39.955%0.55123%0.227SC*.SBendtrans-89.7-5.8-173.7-62.9-37.7000112.9V118 G119V118-D122 HydrophobicContact CB-CB 4.39Å; G119-D122 VanDerWaalsContact CA-OD2 3.24Å; G119-D122 WeakPolarHBondContact CA-OD2 3.37Å; G119-D122 PolarHBondContact N-OD2 2.93Å; G119-D122 PolarHBondContact O-N 3.46Å
123W88.8Confident95.1Very high65 Ų6534.1 Ų34.125%0.24620%0.2CC..SBendtrans-153.6153.2-172.6-153.2-93.9000113.2F31 W36 V118 H125 E178F31-W123 AromaticContact CE1-CH2 3.91Å; F31-W123 HydrophobicContact CE1-CH2 3.91Å; F31-W123 HydrophobicContact CE1-CZ3 4.2Å; F31-W123 AromaticContact CZ-CH2 3.93Å; F31-W123 HydrophobicContact CZ-CH2 3.93Å; F31-W123 HydrophobicContact CZ-CZ3 4.42Å; W36-W123 HydrophobicContact CZ2-CZ2 4.25Å; V118-W123 HydrophobicContact CG2-CB 4.02Å; V118-W123 HydrophobicContact CG2-CG 4.48Å; W123-H125 AromaticContact CD1-ND1 3.96Å; W123-H125 PolarHBondContact O-N 2.9Å; W123-E178 WeakPolarHBondContact CZ2-OE2 3.2Å; W123-E178 PolarHBondContact NE1-OE2 3.1Å
124G90Very high95.2Very high9 Ų931.5 Ų31.59%0.09318%0.182CC..  trans-71.369.5171.800000112.4Q127 F174G124-Q127 PolarHBondContact O-NE2 3.39Å; G124-Q127 VanDerWaalsContact O-NE2 3.11Å; G124-F174 VanDerWaalsContact C-CD2 3.48Å
125H94.2Very high95.2Very high4 Ų430.7 Ų30.72%0.01918%0.177CC..  trans-73.8-34.5-172.8-75.9-44.8000114.6L105 H106 A107 V118 G119 W123 Q127L105-H125 VanDerWaalsContact O-O 3.11Å; H106-H125 AromaticContact CD2-CD2 3.99Å; H106-H125 AromaticContact CE1-CD2 3.84Å; H106-H125 AromaticContact CE1-CE1 3.88Å; H106-H125 AromaticContact CE1-NE2 3.3Å; H106-H125 PolarHBondContact CE1-NE2 2.83Å; H106-H125 VanDerWaalsContact CE1-NE2 3.3Å; H106-H125 AromaticContact CG-CE1 3.76Å; H106-H125 AromaticContact CG-NE2 3.82Å; H106-H125 AromaticContact ND1-CE1 3.44Å; H106-H125 PolarHBondContact ND1-CE1 3.41Å; H106-H125 AromaticContact ND1-NE2 3.36Å; H106-H125 PolarHBondContact ND1-NE2 3.03Å; H106-H125 AromaticContact NE2-CD2 3.83Å; H106-H125 AromaticContact NE2-NE2 3.78Å; A107-H125 PolarHBondContact N-ND1 3.43Å; V118-H125 WeakPolarHBondContact CG2-CE1 3.46Å; V118-H125 WeakPolarHBondContact CG2-NE2 3.4Å; G119-H125 PolarHBondContact O-NE2 2.91Å; W123-H125 AromaticContact CD1-ND1 3.96Å; W123-H125 PolarHBondContact O-N 2.9Å; H125-Q127 VanDerWaalsContact C-N 3.31Å; H125-Q127 PolarHBondContact O-N 2.92Å
126L97.2Very high95.3Very high1 Ų128.3 Ų28.31%0.00516%0.161CC..  trans-6792.1178.3-177.955.9000109.5F95 P101 S104 I128 I171 P172 D173 F174F95-L126 HydrophobicContact CE2-CD1 3.69Å; F95-L126 HydrophobicContact CE2-CD2 4.36Å; F95-L126 HydrophobicContact CZ-CD1 3.61Å; P101-L126 HydrophobicContact CB-CB 4.48Å; P101-L126 HydrophobicContact CB-CD2 4.41Å; P101-L126 HydrophobicContact CG-CD2 4.05Å; S104-L126 PolarHBondContact OG-N 3.4Å; L126-I128 HydrophobicContact CD1-CG1 4.06Å; L126-I171 HydrophobicContact CD2-CG2 4.36Å; L126-P172 WeakPolarHBondContact CD2-O 3.42Å; L126-D173 HydrophobicContact CD2-CB 4.36Å; L126-D173 HydrophobicContact CG-CB 3.85Å; L126-D173 WeakPolarHBondContact O-CB 3.39Å; L126-F174 HydrophobicContact CB-CD2 3.96Å; L126-F174 HydrophobicContact CB-CE2 4.27Å; L126-F174 PolarHBondContact O-N 3.19Å
127Q97.5Very high95.4Very high5 Ų525 Ų252%0.02314%0.141CC..  trans-128.891177.1-68.6-178.445.500108A107 G124 H125 D129 A130 E178A107-Q127 HydrophobicContact CB-CG 4.41Å; G124-Q127 PolarHBondContact O-NE2 3.39Å; G124-Q127 VanDerWaalsContact O-NE2 3.11Å; H125-Q127 VanDerWaalsContact C-N 3.31Å; H125-Q127 PolarHBondContact O-N 2.92Å; Q127-D129 VanDerWaalsContact C-N 3.25Å; Q127-D129 PolarHBondContact O-N 3.33Å; Q127-A130 HydrophobicContact CB-CB 4.07Å; Q127-A130 PolarHBondContact O-N 2.9Å; Q127-E178 PolarHBondContact NE2-OE1 3.46Å
128I98.2Very high95.6Very high1 Ų122.8 Ų22.81%0.00513%0.127CC..Hα-helixtrans-66.5-37.1-176.2-63.7176000109.6L126 A130 I131 A132 I165 A168 I171 D173 T198L126-I128 HydrophobicContact CD1-CG1 4.06Å; I128-A130 VanDerWaalsContact C-N 3.28Å; I128-A130 PolarHBondContact O-N 3.36Å; I128-I131 PolarHBondContact O-N 3.45Å; I128-A132 WeakPolarHBondContact O-CB 3.25Å; I128-A132 PolarHBondContact O-N 3.34Å; I128-I165 HydrophobicContact CG2-CB 4.02Å; I128-I165 HydrophobicContact CG2-CG2 3.97Å; I128-A168 HydrophobicContact CD1-CB 4.38Å; I128-A168 HydrophobicContact CG2-CB 3.81Å; I128-I171 HydrophobicContact CD1-CB 3.85Å; I128-I171 HydrophobicContact CD1-CG2 3.76Å; I128-D173 HydrophobicContact CD1-CB 4.18Å; I128-D173 HydrophobicContact CG1-CB 4.13Å; I128-D173 PolarHBondContact N-OD2 2.97Å; I128-T198 WeakPolarHBondContact CG2-OG1 3.41Å
129D98.5Very high95.8Very high2 Ų221.2 Ų21.21%0.01112%0.117CC..Hα-helixtrans-60.2-32.9178.675.7-50.6000113.4R38 Q127 L133 I176 M197R38-D129 IonicContact CZ-OD1 3.42Å; R38-D129 IonicContact CZ-OD2 2.75Å; R38-D129 IonicContact NE-OD2 2.85Å; R38-D129 IonicContact NH1-OD1 2.88Å; R38-D129 IonicContact NH1-OD2 2.73Å; R38-D129 PolarHBondContact NH1-OD2 3.38Å; R38-D129 IonicContact NH2-OD1 3.61Å; R38-D129 PolarHBondContact NH2-OD1 2.95Å; R38-D129 IonicContact NH2-OD2 3.66Å; R38-D129 PolarHBondContact NH2-OD2 3.11Å; Q127-D129 VanDerWaalsContact C-N 3.25Å; Q127-D129 PolarHBondContact O-N 3.33Å; D129-L133 WeakPolarHBondContact O-CB 3.41Å; D129-L133 PolarHBondContact O-N 2.67Å; D129-I176 WeakPolarHBondContact OD2-CA 3.37Å; D129-I176 WeakPolarHBondContact OD2-CB 3.36Å; D129-I176 WeakPolarHBondContact OD2-CG1 3.3Å; D129-M197 HydrophobicContact CB-CB 4.34Å
130A98.5Very high96Very high2 Ų220.2 Ų20.22%0.01711%0.105CC..Hα-helixtrans-67.9-43.2177.800000111.6V37 R38 Q127 I128 L133 Y134V37-A130 HydrophobicContact CB-CB 4.45Å; V37-A130 HydrophobicContact CG1-CB 4.31Å; R38-A130 VanDerWaalsContact NH2-CB 3.33Å; Q127-A130 HydrophobicContact CB-CB 4.07Å; Q127-A130 PolarHBondContact O-N 2.9Å; I128-A130 VanDerWaalsContact C-N 3.28Å; I128-A130 PolarHBondContact O-N 3.36Å; A130-L133 PolarHBondContact O-N 3.19Å; A130-Y134 PolarHBondContact O-N 3.02Å; A130-Y134 VanDerWaalsContact O-N 3.09Å
131I98.6Very high96.2Very high5 Ų516.6 Ų16.63%0.0269%0.086CC..Hα-helixtrans-70.6-41.5178.3-54.4-54.6000109.9F85 L105 I128 L133 Y134 L135 L161 Y164 I165F85-I131 HydrophobicContact CD1-CD1 4.29Å; F85-I131 HydrophobicContact CE1-CD1 3.75Å; F85-I131 HydrophobicContact CZ-CD1 3.96Å; L105-I131 HydrophobicContact CB-CD1 4.29Å; L105-I131 HydrophobicContact CD1-CD1 3.82Å; L105-I131 HydrophobicContact CD1-CG1 4.19Å; I128-I131 PolarHBondContact O-N 3.45Å; I131-L133 PolarHBondContact O-N 2.81Å; I131-Y134 WeakPolarHBondContact O-CB 3.49Å; I131-Y134 PolarHBondContact O-N 2.73Å; I131-L135 HydrophobicContact CG2-CD1 4.32Å; I131-L135 WeakPolarHBondContact O-CB 3.47Å; I131-L135 WeakPolarHBondContact O-CG 3.43Å; I131-L135 PolarHBondContact O-N 2.88Å; I131-L161 HydrophobicContact CG2-CD2 4.41Å; I131-Y164 HydrophobicContact CG1-CE1 4.08Å; I131-Y164 HydrophobicContact CG2-CD1 4.33Å; I131-I165 HydrophobicContact CB-CG2 4.09Å; I131-I165 HydrophobicContact CG2-CG2 3.89Å
132A98.8Very high96.6Very high0 Ų010.3 Ų10.30%05%0.052CC..Hα-helixtrans-61.3-42174.100000112I128 Y134 L135 L136 I165 M197 A201I128-A132 WeakPolarHBondContact O-CB 3.25Å; I128-A132 PolarHBondContact O-N 3.34Å; A132-Y134 PolarHBondContact O-N 3.1Å; A132-L135 PolarHBondContact O-N 2.78Å; A132-L136 WeakPolarHBondContact O-CB 3.35Å; A132-L136 PolarHBondContact O-N 3Å; A132-I165 HydrophobicContact CB-CD1 4.12Å; A132-M197 HydrophobicContact CB-CB 4.11Å; A132-M197 HydrophobicContact CB-CG 3.73Å; A132-A201 HydrophobicContact CB-CB 4.13Å; A132-A201 VanDerWaalsContact O-CB 3.3Å; A132-A201 WeakPolarHBondContact O-CB 3.4Å
133L98.8Very high97Very high0 Ų07.5 Ų7.50%04%0.043CC..Hα-helixtrans-61.7-42.2175.4176.765.4000111.9R38 V41 Y42 D129 A130 I131 T137 M197 P259R38-L133 HydrophobicContact CG-CD2 3.93Å; V41-L133 HydrophobicContact CB-CD2 4.25Å; V41-L133 HydrophobicContact CB-CG 4.32Å; V41-L133 HydrophobicContact CG1-CD1 4.36Å; V41-L133 HydrophobicContact CG1-CD2 4.14Å; V41-L133 HydrophobicContact CG1-CG 3.76Å; Y42-L133 HydrophobicContact CD2-CD2 3.9Å; Y42-L133 HydrophobicContact CE2-CD2 3.35Å; D129-L133 WeakPolarHBondContact O-CB 3.41Å; D129-L133 PolarHBondContact O-N 2.67Å; A130-L133 PolarHBondContact O-N 3.19Å; I131-L133 PolarHBondContact O-N 2.81Å; L133-T137 WeakPolarHBondContact O-CB 3.12Å; L133-T137 PolarHBondContact O-N 3.47Å; L133-T137 PolarHBondContact O-OG1 2.78Å; L133-M197 HydrophobicContact CB-CG 4.04Å; L133-M197 HydrophobicContact CB-SD 4.08Å; L133-M197 HydrophobicContact CD1-CE 4.08Å; L133-M197 HydrophobicContact CD1-SD 3.92Å; L133-P259 HydrophobicContact CD1-CG 3.66Å
134Y98.9Very high97.2Very high0 Ų05.6 Ų5.60%04%0.04CC..Hα-helixtrans-58.9-48.3173.3168.1-91.5000111.2V41 M78 L81 L82 F85 A130 I131 A132 T137 L138 L161V41-Y134 HydrophobicContact CG2-CD2 4.23Å; M78-Y134 HydrophobicContact CB-CE2 4.41Å; M78-Y134 HydrophobicContact CE-CD2 3.42Å; M78-Y134 VanDerWaalsContact CE-CD2 3.42Å; M78-Y134 HydrophobicContact CE-CE2 3.38Å; M78-Y134 HydrophobicContact CE-CG 4.24Å; M78-Y134 PolarHBondContact O-OH 2.91Å; M78-Y134 HydrophobicContact SD-CD2 3.97Å; M78-Y134 HydrophobicContact SD-CE2 3.97Å; L81-Y134 HydrophobicContact CB-CD2 3.99Å; L81-Y134 HydrophobicContact CB-CE2 3.77Å; L81-Y134 HydrophobicContact CD1-CD2 3.94Å; L81-Y134 HydrophobicContact CD1-CE2 4.35Å; L82-Y134 WeakPolarHBondContact CB-OH 3.47Å; F85-Y134 HydrophobicContact CD2-CD1 4.33Å; F85-Y134 HydrophobicContact CD2-CE1 4.21Å; F85-Y134 AromaticContact CE2-CD1 3.64Å; F85-Y134 HydrophobicContact CE2-CD1 3.64Å; F85-Y134 AromaticContact CE2-CD2 3.82Å; F85-Y134 HydrophobicContact CE2-CD2 3.82Å; F85-Y134 AromaticContact CE2-CE1 3.86Å; F85-Y134 HydrophobicContact CE2-CE1 3.86Å; F85-Y134 HydrophobicContact CE2-CE2 4Å; F85-Y134 AromaticContact CE2-CG 3.65Å; F85-Y134 HydrophobicContact CE2-CG 3.65Å; F85-Y134 HydrophobicContact CZ-CD2 4.4Å; F85-Y134 HydrophobicContact CZ-CG 4.26Å; A130-Y134 PolarHBondContact O-N 3.02Å; A130-Y134 VanDerWaalsContact O-N 3.09Å; I131-Y134 WeakPolarHBondContact O-CB 3.49Å; I131-Y134 PolarHBondContact O-N 2.73Å; A132-Y134 PolarHBondContact O-N 3.1Å; Y134-T137 PolarHBondContact O-N 3.05Å; Y134-L138 HydrophobicContact CE1-CD2 4.22Å; Y134-L138 WeakPolarHBondContact O-CB 3.44Å; Y134-L138 PolarHBondContact O-N 2.75Å; Y134-L161 HydrophobicContact CE1-CD1 4.43Å
135L98.8Very high97.3Very high0 Ų08.1 Ų8.10%07%0.066CC..Hα-helixtrans-65.4-42-178.9-76.6178.1000112.9I131 A132 T137 L138 A139 V158 L161 I165 A201 L205I131-L135 HydrophobicContact CG2-CD1 4.32Å; I131-L135 WeakPolarHBondContact O-CB 3.47Å; I131-L135 WeakPolarHBondContact O-CG 3.43Å; I131-L135 PolarHBondContact O-N 2.88Å; A132-L135 PolarHBondContact O-N 2.78Å; L135-T137 VanDerWaalsContact C-N 3.32Å; L135-T137 PolarHBondContact O-N 3.42Å; L135-L138 HydrophobicContact CD2-CD2 4.47Å; L135-L138 WeakPolarHBondContact O-CB 3.38Å; L135-L138 PolarHBondContact O-N 3.42Å; L135-A139 WeakPolarHBondContact O-CB 3.23Å; L135-A139 PolarHBondContact O-N 2.85Å; L135-V158 HydrophobicContact CD2-CG1 3.84Å; L135-L161 HydrophobicContact CD1-CB 4.01Å; L135-L161 HydrophobicContact CD2-CB 4.13Å; L135-L161 HydrophobicContact CD2-CD1 4.19Å; L135-I165 HydrophobicContact CD1-CD1 3.56Å; L135-I165 HydrophobicContact CD1-CG1 4.16Å; L135-A201 HydrophobicContact CB-CB 4.09Å; L135-L205 HydrophobicContact CB-CD1 3.87Å; L135-L205 HydrophobicContact CD1-CD1 4.19Å; L135-L205 HydrophobicContact CD2-CD1 4.07Å; L135-L205 HydrophobicContact CG-CD1 4.25Å
136L98.8Very high97.3Very high1 Ų18.6 Ų8.61%0.0057%0.069CC..Hα-helixtrans-59.4-45.5172.4173.761.9000110.9A132 A139 Q140 M197 A200 A201 A204 P259 A260A132-L136 WeakPolarHBondContact O-CB 3.35Å; A132-L136 PolarHBondContact O-N 3Å; L136-A139 WeakPolarHBondContact O-CB 3.17Å; L136-A139 PolarHBondContact O-N 3.04Å; L136-Q140 HydrophobicContact CD1-CG 4.26Å; L136-Q140 VanDerWaalsContact O-CG 3.31Å; L136-Q140 WeakPolarHBondContact O-CG 2.99Å; L136-Q140 PolarHBondContact O-N 3.17Å; L136-M197 HydrophobicContact CD2-SD 3.78Å; L136-A200 HydrophobicContact CD1-CB 4.42Å; L136-A200 HydrophobicContact CD2-CB 4.18Å; L136-A201 HydrophobicContact CB-CB 4.11Å; L136-A204 HydrophobicContact CD1-CB 3.74Å; L136-P259 HydrophobicContact CD2-CB 4.33Å; L136-P259 HydrophobicContact CD2-CG 4.33Å; L136-A260 HydrophobicContact CD2-CB 4.12Å
137T98.7Very high97.2Very high2 Ų212.7 Ų12.71%0.0129%0.088CC..Hα-helixtrans-66.9-41-179.9-55.90000111.4V41 V44 H45 M78 L133 Y134 L135 A139 Q140 M141V41-T137 HydrophobicContact CG1-CG2 3.98Å; V41-T137 WeakPolarHBondContact CG1-OG1 3.41Å; V44-T137 HydrophobicContact CG1-CG2 4.37Å; H45-T137 WeakPolarHBondContact NE2-CG2 3.07Å; H45-T137 PolarHBondContact NE2-OG1 2.91Å; M78-T137 HydrophobicContact CE-CG2 3.99Å; M78-T137 HydrophobicContact SD-CG2 4.39Å; L133-T137 WeakPolarHBondContact O-CB 3.12Å; L133-T137 PolarHBondContact O-N 3.47Å; L133-T137 PolarHBondContact O-OG1 2.78Å; Y134-T137 PolarHBondContact O-N 3.05Å; L135-T137 VanDerWaalsContact C-N 3.32Å; L135-T137 PolarHBondContact O-N 3.42Å; T137-A139 VanDerWaalsContact C-N 3.29Å; T137-A139 PolarHBondContact O-N 3.44Å; T137-Q140 PolarHBondContact O-N 3.05Å; T137-M141 HydrophobicContact CG2-CG 4.26Å; T137-M141 HydrophobicContact CG2-SD 3.9Å; T137-M141 WeakPolarHBondContact O-CB 3.29Å; T137-M141 VanDerWaalsContact O-CG 3.29Å; T137-M141 WeakPolarHBondContact O-CG 3.42Å; T137-M141 PolarHBondContact O-N 3.27Å
138L98.7Very high97.2Very high0 Ų012.5 Ų12.50%09%0.087CC..Hα-helixtrans-56.4-45.1173.2177.364.9000111.1M78 Y134 L135 T142 V148 V149 V158 L210M78-L138 HydrophobicContact CE-CB 4.22Å; Y134-L138 HydrophobicContact CE1-CD2 4.22Å; Y134-L138 WeakPolarHBondContact O-CB 3.44Å; Y134-L138 PolarHBondContact O-N 2.75Å; L135-L138 HydrophobicContact CD2-CD2 4.47Å; L135-L138 WeakPolarHBondContact O-CB 3.38Å; L135-L138 PolarHBondContact O-N 3.42Å; L138-T142 WeakPolarHBondContact O-CB 3.29Å; L138-T142 PolarHBondContact O-N 2.87Å; L138-T142 PolarHBondContact O-OG1 2.76Å; L138-V148 HydrophobicContact CD1-CB 3.54Å; L138-V148 HydrophobicContact CD1-CG1 3.58Å; L138-V148 HydrophobicContact CD1-CG2 4.1Å; L138-V149 HydrophobicContact CD1-CG2 4.1Å; L138-V149 HydrophobicContact CD2-CG2 4.32Å; L138-V158 HydrophobicContact CD2-CG1 4.03Å; L138-V158 HydrophobicContact CD2-CG2 3.94Å; L138-L210 HydrophobicContact CD2-CD2 4.2Å; L138-L210 HydrophobicContact CG-CD2 4.37Å
139A98.4Very high97.2Very high0 Ų012.5 Ų12.50%09%0.087CC..Hα-helixtrans-63.5-48.4178.500000112.3L135 L136 T137 T142 A143 A204 L205 L208 L419L135-A139 WeakPolarHBondContact O-CB 3.23Å; L135-A139 PolarHBondContact O-N 2.85Å; L136-A139 WeakPolarHBondContact O-CB 3.17Å; L136-A139 PolarHBondContact O-N 3.04Å; T137-A139 VanDerWaalsContact C-N 3.29Å; T137-A139 PolarHBondContact O-N 3.44Å; A139-T142 PolarHBondContact O-N 2.68Å; A139-A143 WeakPolarHBondContact O-CB 3.44Å; A139-A143 PolarHBondContact O-N 3.35Å; A139-A204 HydrophobicContact CB-CB 3.75Å; A139-L205 HydrophobicContact CB-CD2 4.01Å; A139-L205 HydrophobicContact CB-CG 4.29Å; A139-L208 VanDerWaalsContact CA-CD2 3.46Å; A139-L208 HydrophobicContact CB-CD2 3.61Å; A139-L419 HydrophobicContact CB-CD1 4Å
140Q97.1Very high97.1Very high9 Ų917.9 Ų17.94%0.04211%0.111CC..Hα-helixtrans-62.4-44.1178.3-65.4-76.913.900111.6W48 L136 T137 T142 A143 S144 D417 P418 L419W48-Q140 HydrophobicContact CH2-CB 4.09Å; W48-Q140 HydrophobicContact CZ3-CB 4.28Å; L136-Q140 HydrophobicContact CD1-CG 4.26Å; L136-Q140 VanDerWaalsContact O-CG 3.31Å; L136-Q140 WeakPolarHBondContact O-CG 2.99Å; L136-Q140 PolarHBondContact O-N 3.17Å; T137-Q140 PolarHBondContact O-N 3.05Å; Q140-T142 PolarHBondContact O-N 3.08Å; Q140-A143 PolarHBondContact O-N 3.35Å; Q140-S144 PolarHBondContact O-N 2.78Å; Q140-D417 PolarHBondContact NE2-OD1 3.14Å; Q140-P418 HydrophobicContact CB-CG 4.27Å; Q140-P418 WeakPolarHBondContact O-CG 3.02Å; Q140-L419 HydrophobicContact CG-CD1 4.33Å
141M96.8Very high97.1Very high0 Ų019.8 Ų19.80%012%0.124CC..Hα-helixtrans-63.2-42.8177-74177.368.300112V44 W48 C74 M78 T137 S144 G145 L146 V148V44-M141 HydrophobicContact CG1-CE 4.18Å; V44-M141 HydrophobicContact CG1-SD 3.61Å; W48-M141 HydrophobicContact CD2-CG 4.29Å; W48-M141 HydrophobicContact CE3-CG 4.32Å; C74-M141 HydrophobicContact CB-CE 3.62Å; M78-M141 HydrophobicContact CE-SD 4.39Å; M78-M141 HydrophobicContact CG-CE 4.07Å; M78-M141 HydrophobicContact CG-SD 3.74Å; M78-M141 HydrophobicContact SD-SD 4.47Å; T137-M141 HydrophobicContact CG2-CG 4.26Å; T137-M141 HydrophobicContact CG2-SD 3.9Å; T137-M141 WeakPolarHBondContact O-CB 3.29Å; T137-M141 VanDerWaalsContact O-CG 3.29Å; T137-M141 WeakPolarHBondContact O-CG 3.42Å; T137-M141 PolarHBondContact O-N 3.27Å; M141-S144 WeakPolarHBondContact O-CB 3.46Å; M141-S144 PolarHBondContact O-N 3.33Å; M141-S144 VanDerWaalsContact O-N 3.13Å; M141-S144 PolarHBondContact O-OG 3.49Å; M141-G145 PolarHBondContact O-N 3.13Å; M141-L146 HydrophobicContact CB-CB 4.32Å; M141-L146 HydrophobicContact CB-CD1 4.33Å; M141-L146 HydrophobicContact CE-CB 4.43Å; M141-L146 HydrophobicContact CE-CD1 3.55Å; M141-L146 HydrophobicContact CG-CD1 4.32Å; M141-L146 WeakPolarHBondContact O-CB 3.41Å; M141-L146 PolarHBondContact O-N 3.5Å; M141-V148 HydrophobicContact CE-CG2 3.91Å
142T96.6Very high97.1Very high7 Ų723.6 Ų23.64%0.04314%0.144CC..Hα-helixtrans-61.9-45.4176.5-56.20000111L138 A139 Q140 S144 G145 L146 L208 D209L138-T142 WeakPolarHBondContact O-CB 3.29Å; L138-T142 PolarHBondContact O-N 2.87Å; L138-T142 PolarHBondContact O-OG1 2.76Å; A139-T142 PolarHBondContact O-N 2.68Å; Q140-T142 PolarHBondContact O-N 3.08Å; T142-S144 PolarHBondContact O-N 3.45Å; T142-G145 PolarHBondContact O-N 2.88Å; T142-L146 WeakPolarHBondContact CA-O 3.4Å; T142-L208 HydrophobicContact CG2-CD2 4.46Å; T142-D209 WeakPolarHBondContact CG2-O 3.5Å
143A94.9Very high97Very high44 Ų4429.5 Ų29.536%0.36418%0.175SC..Hα-helixtrans-63-27.1175.800000113A139 Q140 G145 P418 L419A139-A143 WeakPolarHBondContact O-CB 3.44Å; A139-A143 PolarHBondContact O-N 3.35Å; Q140-A143 PolarHBondContact O-N 3.35Å; A143-G145 VanDerWaalsContact C-N 3.27Å; A143-G145 PolarHBondContact O-N 2.97Å; A143-P418 HydrophobicContact CB-CB 4.16Å; A143-P418 HydrophobicContact CB-CG 4.12Å; A143-L419 HydrophobicContact CB-CD2 3.61Å; A143-L419 HydrophobicContact CB-CG 3.89Å
144S92.9Very high97Very high26 Ų2630.6 Ų30.618%0.18218%0.18CC..THydrogen-bonded Turntrans-78.8-6.5173.783.10000114.7W48 Q140 M141 T142W48-S144 VanDerWaalsContact CZ2-CB 3.49Å; W48-S144 WeakPolarHBondContact CZ2-OG 3.45Å; Q140-S144 PolarHBondContact O-N 2.78Å; M141-S144 WeakPolarHBondContact O-CB 3.46Å; M141-S144 PolarHBondContact O-N 3.33Å; M141-S144 VanDerWaalsContact O-N 3.13Å; M141-S144 PolarHBondContact O-OG 3.49Å; T142-S144 PolarHBondContact O-N 3.45Å
145G93Very high97Very high62 Ų6230.9 Ų30.964%0.63918%0.182SC*.THydrogen-bonded Turntrans100.72.2179.200000115.4M141 T142 A143M141-G145 PolarHBondContact O-N 3.13Å; T142-G145 PolarHBondContact O-N 2.88Å; A143-G145 VanDerWaalsContact C-N 3.27Å; A143-G145 PolarHBondContact O-N 2.97Å
146L94.5Very high97Very high14 Ų1433.4 Ų33.47%0.07320%0.203CC..  trans-81.4128.9176.8-64.5177.7000111E71 V75 M141 T142E71-L146 HydrophobicContact CB-CD2 3.88Å; E71-L146 HydrophobicContact CG-CD2 4.02Å; V75-L146 HydrophobicContact CG2-CB 4.44Å; M141-L146 HydrophobicContact CB-CB 4.32Å; M141-L146 HydrophobicContact CB-CD1 4.33Å; M141-L146 HydrophobicContact CE-CB 4.43Å; M141-L146 HydrophobicContact CE-CD1 3.55Å; M141-L146 HydrophobicContact CG-CD1 4.32Å; M141-L146 WeakPolarHBondContact O-CB 3.41Å; M141-L146 PolarHBondContact O-N 3.5Å; T142-L146 WeakPolarHBondContact CA-O 3.4Å
147Q94.4Very high97Very high87 Ų8734 Ų3441%0.40721%0.206SC..  trans-91.9107174.9-69.3-177.8-9.600110.2V75 F150V75-Q147 WeakPolarHBondContact CG1-O 3.47Å; Q147-F150 HydrophobicContact CB-CE1 4.29Å; Q147-F150 VanDerWaalsContact O-CE1 3.28Å; Q147-F150 WeakPolarHBondContact O-CE1 3.48Å
148V97.8Very high97Very high0 Ų033.9 Ų33.90%021%0.205CC..  trans-98.2-36.9174.7175.60000111V75 M78 R79 L138 M141V75-V148 HydrophobicContact CG2-CG2 4.47Å; M78-V148 HydrophobicContact CB-CG1 3.69Å; M78-V148 HydrophobicContact CB-CG2 4.22Å; R79-V148 WeakPolarHBondContact CD-O 3.29Å; R79-V148 HydrophobicContact CG-CG1 4Å; R79-V148 WeakPolarHBondContact CG-O 3.46Å; R79-V148 PolarHBondContact NH1-O 2.89Å; L138-V148 HydrophobicContact CD1-CB 3.54Å; L138-V148 HydrophobicContact CD1-CG1 3.58Å; L138-V148 HydrophobicContact CD1-CG2 4.1Å; M141-V148 HydrophobicContact CE-CG2 3.91Å
149V98.3Very high97Very high2 Ų235.1 Ų35.11%0.01221%0.211CC..  trans-94.9127.3-177-175.60000109.6L138 E154 V155 V158 L210 F211L138-V149 HydrophobicContact CD1-CG2 4.1Å; L138-V149 HydrophobicContact CD2-CG2 4.32Å; V149-E154 WeakPolarHBondContact CA-OE2 3.39Å; V149-E154 HydrophobicContact CG1-CB 3.64Å; V149-V155 HydrophobicContact CG1-CG2 3.72Å; V149-V158 HydrophobicContact CG2-CG2 4.49Å; V149-L210 HydrophobicContact CB-CB 4.16Å; V149-L210 HydrophobicContact CG1-CB 4.32Å; V149-L210 HydrophobicContact CG2-CB 4.16Å; V149-L210 HydrophobicContact CG2-CD1 4.25Å; V149-F211 HydrophobicContact CB-CE1 4.44Å; V149-F211 HydrophobicContact CG1-CE1 3.98Å; V149-F211 WeakPolarHBondContact O-CD1 3.3Å; V149-F211 WeakPolarHBondContact O-CE1 3.32Å
150F96.6Very high97Very high115 Ų11536.9 Ų36.950%0.50422%0.22SC..  trans-115.5-13.6-170.2-68.5-8.6000114.5V75 R79 Q147 E154V75-F150 HydrophobicContact CG1-CZ 4.19Å; R79-F150 VanDerWaalsContact CD-CE2 3.5Å; R79-F150 VanDerWaalsContact CZ-CE2 3.44Å; Q147-F150 HydrophobicContact CB-CE1 4.29Å; Q147-F150 VanDerWaalsContact O-CE1 3.28Å; Q147-F150 WeakPolarHBondContact O-CE1 3.48Å; F150-E154 PolarHBondContact N-OE2 3.46Å
151S97.7Very high97Very high41 Ų4136.4 Ų36.429%0.28722%0.218SC..SBendtrans-142159.7-178.876.70000112.5D153 E154 V155S151-D153 PolarHBondContact O-N 3.4Å; S151-D153 PolarHBondContact OG-N 2.83Å; S151-E154 WeakPolarHBondContact O-CB 3.45Å; S151-E154 PolarHBondContact O-N 2.99Å; S151-E154 VanDerWaalsContact O-N 3.16Å; S151-E154 WeakPolarHBondContact OG-CG 3.35Å; S151-E154 PolarHBondContact OG-N 3.14Å; S151-V155 WeakPolarHBondContact O-CG2 3.3Å; S151-V155 PolarHBondContact O-N 2.52Å
152L98Very high97.1Very high86 Ų8636.4 Ų36.445%0.4522%0.218SC..Hα-helixtrans-66.2-26.1175.3-68.4176.9000112.4E154 V155 A156 F211 N218L152-E154 VanDerWaalsContact C-N 3.34Å; L152-V155 HydrophobicContact CD2-CG2 4.46Å; L152-V155 PolarHBondContact O-N 3.49Å; L152-A156 WeakPolarHBondContact O-CB 3.19Å; L152-A156 PolarHBondContact O-N 2.89Å; L152-F211 HydrophobicContact CD2-CE2 3.89Å; L152-F211 HydrophobicContact CD2-CZ 4.23Å; L152-F211 HydrophobicContact CG-CE2 4.47Å; L152-N218 HydrophobicContact CD2-CB 3.97Å
153D98.4Very high97.1Very high123 Ų12339.8 Ų39.866%0.65823%0.232SC*.Hα-helixtrans-66.4-39.6172.3-61.6-45000111S151 A156 F157S151-D153 PolarHBondContact O-N 3.4Å; S151-D153 PolarHBondContact OG-N 2.83Å; D153-A156 PolarHBondContact O-N 3.32Å; D153-F157 WeakPolarHBondContact O-CB 3.34Å; D153-F157 PolarHBondContact O-N 2.91Å
154E98.6Very high97.3Very high24 Ų2437.8 Ų37.811%0.11222%0.215CC..Hα-helixtrans-67-40.1173.9-70.4178.7179.400111R79 L82 M86 V149 F150 S151 L152 F157 V158R79-E154 IonicContact CZ-OE1 3.04Å; R79-E154 IonicContact CZ-OE2 2.9Å; R79-E154 IonicContact NH1-OE1 3.93Å; R79-E154 PolarHBondContact NH1-OE1 3.36Å; R79-E154 VanDerWaalsContact NH1-OE1 3.12Å; R79-E154 IonicContact NH1-OE2 2.82Å; R79-E154 PolarHBondContact NH1-OE2 2.99Å; R79-E154 IonicContact NH2-OE1 3.12Å; R79-E154 PolarHBondContact NH2-OE1 2.93Å; R79-E154 IonicContact NH2-OE2 3.17Å; L82-E154 HydrophobicContact CD2-CB 4.05Å; L82-E154 HydrophobicContact CD2-CG 4.03Å; M86-E154 HydrophobicContact CE-CG 4.13Å; M86-E154 HydrophobicContact SD-CG 3.91Å; V149-E154 WeakPolarHBondContact CA-OE2 3.39Å; V149-E154 HydrophobicContact CG1-CB 3.64Å; F150-E154 PolarHBondContact N-OE2 3.46Å; S151-E154 WeakPolarHBondContact O-CB 3.45Å; S151-E154 PolarHBondContact O-N 2.99Å; S151-E154 VanDerWaalsContact O-N 3.16Å; S151-E154 WeakPolarHBondContact OG-CG 3.35Å; S151-E154 PolarHBondContact OG-N 3.14Å; L152-E154 VanDerWaalsContact C-N 3.34Å; E154-F157 PolarHBondContact O-N 3.42Å; E154-V158 WeakPolarHBondContact O-CG2 3.36Å; E154-V158 PolarHBondContact O-N 3.35Å
155V98.6Very high97.5Very high6 Ų636.5 Ų36.54%0.03621%0.206CC..Hα-helixtrans-58.1-51.9171.8173.80000110.9V149 S151 L152 F157 V158 Q159 L210 F211 I221V149-V155 HydrophobicContact CG1-CG2 3.72Å; S151-V155 WeakPolarHBondContact O-CG2 3.3Å; S151-V155 PolarHBondContact O-N 2.52Å; L152-V155 HydrophobicContact CD2-CG2 4.46Å; L152-V155 PolarHBondContact O-N 3.49Å; V155-F157 PolarHBondContact O-N 2.93Å; V155-V158 PolarHBondContact O-N 3.2Å; V155-V158 VanDerWaalsContact O-N 3.08Å; V155-Q159 PolarHBondContact O-N 3.38Å; V155-L210 HydrophobicContact CB-CD1 4.41Å; V155-L210 HydrophobicContact CG1-CD1 4.25Å; V155-L210 HydrophobicContact CG2-CB 4.26Å; V155-L210 HydrophobicContact CG2-CD1 4.28Å; V155-F211 HydrophobicContact CG2-CE1 3.99Å; V155-F211 HydrophobicContact CG2-CZ 3.97Å; V155-I221 HydrophobicContact CG1-CD1 4.3Å
156A98.4Very high97.7Very high53 Ų5334.9 Ų34.944%0.43818%0.182SC..Hα-helixtrans-59.9-36.4-179.700000111.4L152 D153 Q159 N160L152-A156 WeakPolarHBondContact O-CB 3.19Å; L152-A156 PolarHBondContact O-N 2.89Å; D153-A156 PolarHBondContact O-N 3.32Å; A156-Q159 WeakPolarHBondContact O-CB 3.33Å; A156-Q159 PolarHBondContact O-N 2.86Å; A156-N160 PolarHBondContact O-N 3.17Å
157F98.7Very high97.8Very high13 Ų1335.7 Ų35.76%0.05719%0.185CC..Hα-helixtrans-68.5-40.7174.2-170.9-95.9000112.8L82 F85 M86 V92 D153 E154 V155 Q159 N160 L161L82-F157 HydrophobicContact CD1-CD1 3.84Å; L82-F157 HydrophobicContact CD1-CE1 4.32Å; F85-F157 HydrophobicContact CB-CE1 3.54Å; F85-F157 HydrophobicContact CB-CZ 3.89Å; F85-F157 VanDerWaalsContact O-CZ 3.29Å; F85-F157 WeakPolarHBondContact O-CZ 3.38Å; M86-F157 HydrophobicContact CB-CD1 4.49Å; M86-F157 HydrophobicContact CB-CE1 4.43Å; M86-F157 HydrophobicContact CB-CZ 4.49Å; M86-F157 HydrophobicContact CE-CB 4.34Å; M86-F157 HydrophobicContact CG-CB 4.2Å; M86-F157 HydrophobicContact CG-CD1 3.4Å; M86-F157 HydrophobicContact CG-CD2 4.03Å; M86-F157 HydrophobicContact CG-CE1 3.72Å; M86-F157 HydrophobicContact CG-CE2 4.32Å; M86-F157 HydrophobicContact CG-CG 3.57Å; M86-F157 HydrophobicContact CG-CZ 4.17Å; V92-F157 HydrophobicContact CG2-CE2 4.27Å; V92-F157 HydrophobicContact CG2-CZ 4Å; D153-F157 WeakPolarHBondContact O-CB 3.34Å; D153-F157 PolarHBondContact O-N 2.91Å; E154-F157 PolarHBondContact O-N 3.42Å; V155-F157 PolarHBondContact O-N 2.93Å; F157-Q159 VanDerWaalsContact C-N 3.3Å; F157-Q159 PolarHBondContact O-N 2.83Å; F157-N160 CarbonylContact O-C 3.57Å; F157-N160 WeakPolarHBondContact O-CA 3.37Å; F157-N160 WeakPolarHBondContact O-CB 3.4Å; F157-N160 PolarHBondContact O-N 3.43Å; F157-L161 HydrophobicContact CD1-CD1 4.21Å; F157-L161 HydrophobicContact CD1-CG 4.16Å; F157-L161 HydrophobicContact CE1-CD1 3.85Å; F157-L161 HydrophobicContact CE1-CD2 3.82Å; F157-L161 HydrophobicContact CE1-CG 3.76Å; F157-L161 HydrophobicContact CZ-CD2 4.02Å; F157-L161 HydrophobicContact CZ-CG 4.37Å; F157-L161 PolarHBondContact O-N 2.99Å
158V98.7Very high97.9Very high0 Ų031.6 Ų31.60%017%0.167CC..Hα-helixtrans-62.3-39.4173.3173.30000110.9L82 L135 L138 V149 E154 V155 N160 L161 V162 L210 I221L82-V158 HydrophobicContact CD1-CG2 4.08Å; L135-V158 HydrophobicContact CD2-CG1 3.84Å; L138-V158 HydrophobicContact CD2-CG1 4.03Å; L138-V158 HydrophobicContact CD2-CG2 3.94Å; V149-V158 HydrophobicContact CG2-CG2 4.49Å; E154-V158 WeakPolarHBondContact O-CG2 3.36Å; E154-V158 PolarHBondContact O-N 3.35Å; V155-V158 PolarHBondContact O-N 3.2Å; V155-V158 VanDerWaalsContact O-N 3.08Å; V158-N160 VanDerWaalsContact C-N 3.27Å; V158-N160 PolarHBondContact O-N 3.16Å; V158-L161 WeakPolarHBondContact O-CA 3.49Å; V158-L161 WeakPolarHBondContact O-CB 3.41Å; V158-L161 PolarHBondContact O-N 2.81Å; V158-V162 PolarHBondContact O-N 3.48Å; V158-L210 HydrophobicContact CB-CD1 3.75Å; V158-L210 HydrophobicContact CG1-CD1 3.67Å; V158-L210 HydrophobicContact CG2-CD1 4.15Å; V158-I221 HydrophobicContact CB-CD1 4.28Å; V158-I221 HydrophobicContact CG1-CD1 4Å; V158-I221 HydrophobicContact CG1-CG1 4.31Å
159Q98.4Very high97.9Very high26 Ų2633.1 Ų33.112%0.12117%0.173CC..Hα-helixtrans-60.6-37.1171.6-174.762.967.700111.8V155 A156 F157 L161 V162 F163 I221 H222V155-Q159 PolarHBondContact O-N 3.38Å; A156-Q159 WeakPolarHBondContact O-CB 3.33Å; A156-Q159 PolarHBondContact O-N 2.86Å; F157-Q159 VanDerWaalsContact C-N 3.3Å; F157-Q159 PolarHBondContact O-N 2.83Å; Q159-L161 VanDerWaalsContact C-N 3.34Å; Q159-V162 WeakPolarHBondContact O-CB 3.49Å; Q159-V162 PolarHBondContact O-N 2.9Å; Q159-F163 HydrophobicContact CG-CE2 3.81Å; Q159-F163 HydrophobicContact CG-CZ 3.83Å; Q159-F163 WeakPolarHBondContact O-CD2 3.35Å; Q159-F163 PolarHBondContact O-N 2.93Å; Q159-I221 HydrophobicContact CB-CD1 3.84Å; Q159-H222 PolarHBondContact NE2-O 3.28Å; Q159-H222 PolarHBondContact OE1-O 3.09Å
160N97.9Very high97.8Very high36 Ų3639.1 Ų39.119%0.19320%0.195CC..Hα-helixtrans-66.8-33172.3-76.9-22.8000113.4V92 E93 K96 A156 F157 V158 V162 F163 Y164V92-N160 HydrophobicContact CG1-CB 4.12Å; E93-N160 PolarHBondContact OE1-ND2 3.25Å; K96-N160 VanDerWaalsContact NZ-CG 3.32Å; K96-N160 PolarHBondContact NZ-OD1 3.32Å; A156-N160 PolarHBondContact O-N 3.17Å; F157-N160 CarbonylContact O-C 3.57Å; F157-N160 WeakPolarHBondContact O-CA 3.37Å; F157-N160 WeakPolarHBondContact O-CB 3.4Å; F157-N160 PolarHBondContact O-N 3.43Å; V158-N160 VanDerWaalsContact C-N 3.27Å; V158-N160 PolarHBondContact O-N 3.16Å; N160-V162 VanDerWaalsContact C-N 3.31Å; N160-F163 PolarHBondContact O-N 2.97Å; N160-Y164 PolarHBondContact O-N 3.45Å
161L98.6Very high97.9Very high0 Ų034 Ų340%017%0.173CC..Hα-helixtrans-68.3-30.4172.5-65.2-179.5000112.2F85 V92 L105 I131 Y134 L135 F157 V158 Q159 Y164 I165F85-L161 HydrophobicContact CD2-CD1 4.03Å; V92-L161 HydrophobicContact CG2-CD2 4.21Å; L105-L161 HydrophobicContact CD1-CD2 3.69Å; I131-L161 HydrophobicContact CG2-CD2 4.41Å; Y134-L161 HydrophobicContact CE1-CD1 4.43Å; L135-L161 HydrophobicContact CD1-CB 4.01Å; L135-L161 HydrophobicContact CD2-CB 4.13Å; L135-L161 HydrophobicContact CD2-CD1 4.19Å; F157-L161 HydrophobicContact CD1-CD1 4.21Å; F157-L161 HydrophobicContact CD1-CG 4.16Å; F157-L161 HydrophobicContact CE1-CD1 3.85Å; F157-L161 HydrophobicContact CE1-CD2 3.82Å; F157-L161 HydrophobicContact CE1-CG 3.76Å; F157-L161 HydrophobicContact CZ-CD2 4.02Å; F157-L161 HydrophobicContact CZ-CG 4.37Å; F157-L161 PolarHBondContact O-N 2.99Å; V158-L161 WeakPolarHBondContact O-CA 3.49Å; V158-L161 WeakPolarHBondContact O-CB 3.41Å; V158-L161 PolarHBondContact O-N 2.81Å; Q159-L161 VanDerWaalsContact C-N 3.34Å; L161-Y164 WeakPolarHBondContact O-CB 3.38Å; L161-Y164 PolarHBondContact O-N 3.46Å; L161-I165 PolarHBondContact O-N 2.64Å
162V98.4Very high97.9Very high0 Ų034.8 Ų34.80%018%0.177CC..Hα-helixtrans-60.3-51169.6170.80000110.1V158 Q159 N160 Y164 I165 E166 L202 L205 I221 V223V158-V162 PolarHBondContact O-N 3.48Å; Q159-V162 WeakPolarHBondContact O-CB 3.49Å; Q159-V162 PolarHBondContact O-N 2.9Å; N160-V162 VanDerWaalsContact C-N 3.31Å; V162-Y164 PolarHBondContact O-N 3.32Å; V162-I165 WeakPolarHBondContact O-CG1 3.49Å; V162-I165 PolarHBondContact O-N 3.42Å; V162-E166 WeakPolarHBondContact O-CB 3.13Å; V162-E166 PolarHBondContact O-N 3.19Å; V162-L202 HydrophobicContact CG1-CD2 3.87Å; V162-L205 HydrophobicContact CG2-CD1 3.73Å; V162-I221 HydrophobicContact CG2-CG2 3.76Å; V162-V223 HydrophobicContact CG1-CG2 3.95Å
163F97.4Very high97.8Very high77 Ų7730.8 Ų30.834%0.33816%0.156SC..Hα-helixtrans-61-28.1176.2-55.7-42.7000113K96 Q159 N160K96-F163 HydrophobicContact CG-CB 4.49Å; Q159-F163 HydrophobicContact CG-CE2 3.81Å; Q159-F163 HydrophobicContact CG-CZ 3.83Å; Q159-F163 WeakPolarHBondContact O-CD2 3.35Å; Q159-F163 PolarHBondContact O-N 2.93Å; N160-F163 PolarHBondContact O-N 2.97Å
164Y98Very high97.7Very high2 Ų226.1 Ų26.11%0.00813%0.13CC..Hα-helixtrans-68.2-36175.5179.6-86.9000112.6V92 F95 S104 L105 I131 N160 L161 V162V92-Y164 HydrophobicContact CG1-CD2 4.35Å; F95-Y164 HydrophobicContact CB-CD2 3.83Å; F95-Y164 HydrophobicContact CB-CE2 3.78Å; F95-Y164 AromaticContact CD1-CD2 3.32Å; F95-Y164 HydrophobicContact CD1-CD2 3.32Å; F95-Y164 AromaticContact CD1-CE2 3.37Å; F95-Y164 HydrophobicContact CD1-CE2 3.37Å; F95-Y164 HydrophobicContact CD1-CG 4.03Å; F95-Y164 AromaticContact CD2-CE2 3.96Å; F95-Y164 HydrophobicContact CD2-CE2 3.96Å; F95-Y164 HydrophobicContact CE1-CD2 4.01Å; F95-Y164 AromaticContact CE1-CE2 3.88Å; F95-Y164 HydrophobicContact CE1-CE2 3.88Å; F95-Y164 HydrophobicContact CE1-CG 4.41Å; F95-Y164 WeakPolarHBondContact CE1-O 3.49Å; F95-Y164 HydrophobicContact CE2-CE2 4.4Å; F95-Y164 AromaticContact CG-CD2 3.69Å; F95-Y164 HydrophobicContact CG-CD2 3.69Å; F95-Y164 AromaticContact CG-CE2 3.41Å; F95-Y164 HydrophobicContact CG-CE2 3.41Å; F95-Y164 VanDerWaalsContact CG-CE2 3.41Å; F95-Y164 HydrophobicContact CZ-CE2 4.36Å; S104-Y164 WeakPolarHBondContact CA-OH 3.4Å; S104-Y164 WeakPolarHBondContact CB-OH 3.49Å; L105-Y164 HydrophobicContact CD1-CE1 4.49Å; L105-Y164 HydrophobicContact CG-CE2 4.23Å; L105-Y164 PolarHBondContact N-OH 3.28Å; I131-Y164 HydrophobicContact CG1-CE1 4.08Å; I131-Y164 HydrophobicContact CG2-CD1 4.33Å; N160-Y164 PolarHBondContact O-N 3.45Å; L161-Y164 WeakPolarHBondContact O-CB 3.38Å; L161-Y164 PolarHBondContact O-N 3.46Å; V162-Y164 PolarHBondContact O-N 3.32Å
165I97.9Very high97.6Very high0 Ų025 Ų250%013%0.126CC..Hα-helixtrans-99.5-17.7-177.667.3165.8000114.3I128 I131 A132 L135 L161 V162 H167 A168 T198 A201 L202I128-I165 HydrophobicContact CG2-CB 4.02Å; I128-I165 HydrophobicContact CG2-CG2 3.97Å; I131-I165 HydrophobicContact CB-CG2 4.09Å; I131-I165 HydrophobicContact CG2-CG2 3.89Å; A132-I165 HydrophobicContact CB-CD1 4.12Å; L135-I165 HydrophobicContact CD1-CD1 3.56Å; L135-I165 HydrophobicContact CD1-CG1 4.16Å; L161-I165 PolarHBondContact O-N 2.64Å; V162-I165 WeakPolarHBondContact O-CG1 3.49Å; V162-I165 PolarHBondContact O-N 3.42Å; I165-H167 PolarHBondContact O-N 2.93Å; I165-A168 WeakPolarHBondContact O-CB 3.45Å; I165-A168 PolarHBondContact O-N 3.01Å; I165-T198 HydrophobicContact CB-CG2 4.15Å; I165-T198 HydrophobicContact CD1-CG2 4.08Å; I165-T198 HydrophobicContact CG1-CG2 4.18Å; I165-T198 WeakPolarHBondContact O-CG2 3.29Å; I165-A201 HydrophobicContact CD1-CB 4.04Å; I165-L202 HydrophobicContact CD1-CD2 4.08Å; I165-L202 HydrophobicContact CD1-CG 4.42Å; I165-L202 HydrophobicContact CG1-CD2 4.12Å
166E96.6Very high97.5Very high27 Ų2725.1 Ų25.113%0.12613%0.126CC..THydrogen-bonded Turntrans-56.5-33.4-165.969.9-170.9164.400114.2V162 A168 E227V162-E166 WeakPolarHBondContact O-CB 3.13Å; V162-E166 PolarHBondContact O-N 3.19Å; E166-A168 VanDerWaalsContact C-N 3.34Å; E166-A168 PolarHBondContact O-N 2.88Å; E166-E227 HydrophobicContact CB-CB 4.39Å; E166-E227 HydrophobicContact CB-CG 4.18Å
167H96.5Very high97.3Very high31 Ų3123.6 Ų23.614%0.14411%0.109CC..THydrogen-bonded Turntrans-90.119.7179.8-63.5-40.4000114.8I165 Y169 R170 I171 E227I165-H167 PolarHBondContact O-N 2.93Å; H167-Y169 PolarHBondContact O-N 3.11Å; H167-R170 HydrophobicContact CB-CG 4.13Å; H167-R170 PolarHBondContact CD2-NH2 3.3Å; H167-R170 PolarHBondContact CE1-NH2 3.37Å; H167-R170 VanDerWaalsContact CG-NH2 3.29Å; H167-R170 PolarHBondContact ND1-NH2 3.47Å; H167-R170 PolarHBondContact NE2-NH2 3.25Å; H167-R170 VanDerWaalsContact O-CG 3.26Å; H167-R170 WeakPolarHBondContact O-CG 3.49Å; H167-R170 PolarHBondContact O-N 2.9Å; H167-I171 HydrophobicContact CB-CD1 3.75Å; H167-I171 HydrophobicContact CB-CG1 4.21Å; H167-I171 WeakPolarHBondContact O-CG1 3.36Å; H167-I171 PolarHBondContact O-N 3.08Å; H167-E227 IonicContact CE1-OE1 2.69Å; H167-E227 IonicContact CE1-OE2 3.48Å; H167-E227 PolarHBondContact CE1-OE2 2.95Å; H167-E227 VanDerWaalsContact CE1-OE2 3.25Å; H167-E227 IonicContact CG-OE2 2.84Å; H167-E227 IonicContact ND1-OE1 3.96Å; H167-E227 IonicContact ND1-OE2 2.83Å; H167-E227 PolarHBondContact ND1-OE2 2.86Å
168A97.2Very high97Very high2 Ų224.9 Ų24.92%0.01712%0.115CC..G310 helixtrans-53.1-30.5-176.400000114.3I128 I165 E166 R170 I171 T198I128-A168 HydrophobicContact CD1-CB 4.38Å; I128-A168 HydrophobicContact CG2-CB 3.81Å; I165-A168 WeakPolarHBondContact O-CB 3.45Å; I165-A168 PolarHBondContact O-N 3.01Å; E166-A168 VanDerWaalsContact C-N 3.34Å; E166-A168 PolarHBondContact O-N 2.88Å; A168-R170 PolarHBondContact O-N 3.06Å; A168-R170 VanDerWaalsContact O-N 3.1Å; A168-I171 PolarHBondContact O-N 2.91Å; A168-T198 HydrophobicContact CB-CG2 3.62Å; A168-T198 WeakPolarHBondContact CB-OG1 3.2Å
169Y97.2Very high96.6Very high32 Ų3226.7 Ų26.713%0.12512%0.121CC..G310 helixtrans-63.3-13.7178.562.7-91000114.3H167 E227 E230H167-Y169 PolarHBondContact O-N 3.11Å; Y169-E227 WeakPolarHBondContact CE1-OE2 3.5Å; Y169-E227 PolarHBondContact OH-OE2 3.04Å; Y169-E230 HydrophobicContact CD1-CB 3.74Å; Y169-E230 HydrophobicContact CD2-CB 3.82Å; Y169-E230 HydrophobicContact CE1-CB 3.75Å; Y169-E230 HydrophobicContact CE1-CG 4.4Å; Y169-E230 HydrophobicContact CE2-CB 3.81Å; Y169-E230 HydrophobicContact CE2-CG 4.1Å; Y169-E230 HydrophobicContact CG-CB 3.79Å
170R96.7Very high96.3Very high127 Ų12725.5 Ų25.548%0.47912%0.116SC..G310 helixtrans-130.82179.964.6173178.2177.7-0.7114.7H167 A168 P172H167-R170 HydrophobicContact CB-CG 4.13Å; H167-R170 PolarHBondContact CD2-NH2 3.3Å; H167-R170 PolarHBondContact CE1-NH2 3.37Å; H167-R170 VanDerWaalsContact CG-NH2 3.29Å; H167-R170 PolarHBondContact ND1-NH2 3.47Å; H167-R170 PolarHBondContact NE2-NH2 3.25Å; H167-R170 VanDerWaalsContact O-CG 3.26Å; H167-R170 WeakPolarHBondContact O-CG 3.49Å; H167-R170 PolarHBondContact O-N 2.9Å; A168-R170 PolarHBondContact O-N 3.06Å; A168-R170 VanDerWaalsContact O-N 3.1Å; R170-P172 WeakPolarHBondContact O-CD 3.5Å
171I97.4Very high96Very high7 Ų724.4 Ų24.44%0.03611%0.11CC..  trans-104.8107.3178.7-61.9173000108.9F95 Q99 L126 I128 H167 A168F95-I171 HydrophobicContact CE1-CD1 4.05Å; F95-I171 HydrophobicContact CZ-CD1 4.27Å; F95-I171 HydrophobicContact CZ-CG2 4.15Å; Q99-I171 HydrophobicContact CB-CD1 4.12Å; Q99-I171 HydrophobicContact CB-CG1 4.31Å; Q99-I171 HydrophobicContact CG-CD1 3.84Å; Q99-I171 HydrophobicContact CG-CG1 4.37Å; L126-I171 HydrophobicContact CD2-CG2 4.36Å; I128-I171 HydrophobicContact CD1-CB 3.85Å; I128-I171 HydrophobicContact CD1-CG2 3.76Å; H167-I171 HydrophobicContact CB-CD1 3.75Å; H167-I171 HydrophobicContact CB-CG1 4.21Å; H167-I171 WeakPolarHBondContact O-CG1 3.36Å; H167-I171 PolarHBondContact O-N 3.08Å; A168-I171 PolarHBondContact O-N 2.91Å
172P97.5Very high95.6Very high59 Ų5925 Ų2538%0.38311%0.113SC..  trans-59.2134.2169.5-26.337.7000111.7L126 R170 P188 E189L126-P172 WeakPolarHBondContact CD2-O 3.42Å; R170-P172 WeakPolarHBondContact O-CD 3.5Å; P172-P188 HydrophobicContact CB-CB 3.82Å; P172-P188 WeakPolarHBondContact O-CB 3.5Å; P172-E189 WeakPolarHBondContact CA-O 3.48Å
173D97.5Very high95.1Very high1 Ų127.1 Ų27.11%0.00513%0.126CC..BIsolated β-bridgetrans-134176.9179.979.7-18.1000111.6L126 I128 G175 P188 E189 N191 S194L126-D173 HydrophobicContact CD2-CB 4.36Å; L126-D173 HydrophobicContact CG-CB 3.85Å; L126-D173 WeakPolarHBondContact O-CB 3.39Å; I128-D173 HydrophobicContact CD1-CB 4.18Å; I128-D173 HydrophobicContact CG1-CB 4.13Å; I128-D173 PolarHBondContact N-OD2 2.97Å; D173-G175 PolarHBondContact O-N 2.95Å; D173-G175 PolarHBondContact OD1-N 2.76Å; D173-P188 WeakPolarHBondContact O-CA 3.5Å; D173-E189 PolarHBondContact N-O 2.93Å; D173-E189 PolarHBondContact O-N 3.29Å; D173-E189 VanDerWaalsContact O-N 3.09Å; D173-N191 PolarHBondContact O-ND2 3.32Å; D173-N191 VanDerWaalsContact O-ND2 3.09Å; D173-N191 PolarHBondContact OD1-ND2 3.08Å; D173-S194 VanDerWaalsContact CG-OG 3.29Å; D173-S194 PolarHBondContact OD1-OG 2.8Å; D173-S194 WeakPolarHBondContact OD2-CB 3.49Å; D173-S194 PolarHBondContact OD2-OG 3.4Å
174F96.5Very high94.6Very high25 Ų2523.8 Ų23.811%0.1111%0.112CC..  trans-80.8-3.9179.4-68.8-72.3000113.4P101 G124 L126 E178 R179 G180 P188P101-F174 HydrophobicContact CB-CE2 4.29Å; G124-F174 VanDerWaalsContact C-CD2 3.48Å; L126-F174 HydrophobicContact CB-CD2 3.96Å; L126-F174 HydrophobicContact CB-CE2 4.27Å; L126-F174 PolarHBondContact O-N 3.19Å; F174-E178 PolarHBondContact O-N 2.89Å; F174-R179 PolarHBondContact O-N 2.87Å; F174-G180 PolarHBondContact O-N 3.04Å; F174-P188 HydrophobicContact CD1-CG 4.42Å; F174-P188 HydrophobicContact CE1-CG 3.98Å; F174-P188 HydrophobicContact CE2-CG 4.22Å; F174-P188 HydrophobicContact CZ-CG 3.87Å
175G95.5Very high94Very high2 Ų228.3 Ų28.32%0.02113%0.133CC..THydrogen-bonded Turntrans63-177.9-178.800000113.9D173 W177 E178 N191D173-G175 PolarHBondContact O-N 2.95Å; D173-G175 PolarHBondContact OD1-N 2.76Å; G175-W177 PolarHBondContact O-N 2.98Å; G175-E178 PolarHBondContact O-N 3.42Å; G175-N191 WeakPolarHBondContact CA-ND2 3.26Å; G175-N191 PolarHBondContact N-ND2 3.25Å
176I96Very high93.4Very high8 Ų829.3 Ų29.34%0.04114%0.143CC..THydrogen-bonded Turntrans-60.2-18-176-162.5165000114.2D129 W395D129-I176 WeakPolarHBondContact OD2-CA 3.37Å; D129-I176 WeakPolarHBondContact OD2-CB 3.36Å; D129-I176 WeakPolarHBondContact OD2-CG1 3.3Å; I176-W395 HydrophobicContact CD1-CH2 3.46Å; I176-W395 VanDerWaalsContact CD1-CH2 3.46Å; I176-W395 HydrophobicContact CD1-CZ2 3.99Å; I176-W395 HydrophobicContact CD1-CZ3 4.5Å; I176-W395 HydrophobicContact CG1-CH2 3.73Å; I176-W395 HydrophobicContact CG1-CZ3 4.35Å
177W94.4Very high93.2Very high21 Ų2131.1 Ų31.18%0.0816%0.156CC..THydrogen-bonded Turntrans-102.84.4-179.4-51.9129.1000114.8G175 R179 D249 R288 F289 F324 W395G175-W177 PolarHBondContact O-N 2.98Å; W177-R179 WeakPolarHBondContact O-CG 3.36Å; W177-R179 PolarHBondContact O-N 3.49Å; W177-D249 VanDerWaalsContact NE1-CG 3.29Å; W177-D249 PolarHBondContact NE1-OD1 2.95Å; W177-D249 PolarHBondContact NE1-OD2 3.23Å; W177-R288 HydrophobicContact CD2-CB 4.47Å; W177-R288 VanDerWaalsContact CD2-CD 3.5Å; W177-R288 HydrophobicContact CD2-CG 4.33Å; W177-R288 HydrophobicContact CH2-CG 4.18Å; W177-R288 HydrophobicContact CZ2-CB 4.07Å; W177-R288 HydrophobicContact CZ2-CG 3.93Å; W177-R288 HydrophobicContact CZ3-CG 4.46Å; W177-F289 AromaticContact CD1-CD1 3.87Å; W177-F289 AromaticContact CD1-CE1 3.7Å; W177-F289 HydrophobicContact CG-CE1 4.39Å; W177-F324 HydrophobicContact CH2-CE1 4.14Å; W177-F324 AromaticContact CH2-CZ 3.53Å; W177-F324 HydrophobicContact CH2-CZ 3.53Å; W177-F324 HydrophobicContact CZ2-CE1 4.22Å; W177-F324 AromaticContact CZ2-CZ 3.59Å; W177-F324 HydrophobicContact CZ2-CZ 3.59Å; W177-W395 HydrophobicContact CH2-CH2 4.12Å; W177-W395 HydrophobicContact CH2-CZ3 4.38Å; W177-W395 HydrophobicContact CZ3-CH2 4.1Å; W177-W395 AromaticContact CZ3-CZ3 3.94Å; W177-W395 HydrophobicContact CZ3-CZ3 3.94Å
178E92.9Very high93.1Very high39 Ų3931.2 Ų31.218%0.18216%0.159CC..THydrogen-bonded Turntrans64.521.4171.5-25.7-166.7127.800114.6W36 W123 Q127 F174 G175W36-E178 PolarHBondContact NE1-OE1 3.02Å; W36-E178 VanDerWaalsContact NE1-OE1 3.07Å; W36-E178 PolarHBondContact NE1-OE2 3.27Å; W123-E178 WeakPolarHBondContact CZ2-OE2 3.2Å; W123-E178 PolarHBondContact NE1-OE2 3.1Å; Q127-E178 PolarHBondContact NE2-OE1 3.46Å; F174-E178 PolarHBondContact O-N 2.89Å; G175-E178 PolarHBondContact O-N 3.42Å
179R90Very high93Very high38 Ų3832 Ų3214%0.14316%0.163CC..  trans-122.2-15.9-172.7-73.4-177.1168.5-164.2-14.9115.3F174 W177 D181 N184 D292 E299 Y306F174-R179 PolarHBondContact O-N 2.87Å; W177-R179 WeakPolarHBondContact O-CG 3.36Å; W177-R179 PolarHBondContact O-N 3.49Å; R179-D181 PolarHBondContact O-N 3.05Å; R179-N184 HydrophobicContact CB-CB 4.33Å; R179-N184 WeakPolarHBondContact CB-OD1 3.37Å; R179-N184 HydrophobicContact CG-CB 4.47Å; R179-N184 WeakPolarHBondContact CG-OD1 3.41Å; R179-D292 IonicContact NH1-OD1 2.9Å; R179-E299 IonicContact CZ-OE1 3.57Å; R179-E299 IonicContact NH1-OE1 3.39Å; R179-E299 IonicContact NH2-OE1 3.73Å; R179-E299 PolarHBondContact NH2-OE1 2.97Å; R179-Y306 PolarHBondContact NH1-OH 2.73Å
180G91.9Very high93.1Very high1 Ų133.1 Ų33.11%0.0117%0.171CC..  trans71.7-125.2-174.800000109.8F174 V187 K246F174-G180 PolarHBondContact O-N 3.04Å; G180-V187 WeakPolarHBondContact CA-O 3.23Å; G180-K246 WeakPolarHBondContact O-CE 3.22Å; G180-K246 PolarHBondContact O-NZ 3.04Å
181D92Very high93.1Very high13 Ų1327.2 Ų27.27%0.0715%0.148CC..SBendtrans-63.4159.5-179.782.9-68.6000114.3R179 T183 N184 H185 V187 E189R179-D181 PolarHBondContact O-N 3.05Å; D181-T183 PolarHBondContact O-N 3.44Å; D181-T183 WeakPolarHBondContact OD2-CA 3.21Å; D181-T183 VanDerWaalsContact OD2-CB 3.3Å; D181-T183 WeakPolarHBondContact OD2-CB 3.36Å; D181-T183 PolarHBondContact OD2-N 3.41Å; D181-T183 PolarHBondContact OD2-OG1 3.11Å; D181-N184 PolarHBondContact O-N 3.19Å; D181-H185 IonicContact OD1-CD2 3.2Å; D181-H185 PolarHBondContact OD1-CD2 3.25Å; D181-H185 IonicContact OD1-NE2 2.79Å; D181-H185 PolarHBondContact OD1-NE2 2.86Å; D181-H185 IonicContact OD2-CD2 2.82Å; D181-H185 PolarHBondContact OD2-CD2 3.45Å; D181-H185 IonicContact OD2-NE2 3.96Å; D181-H185 PolarHBondContact OD2-NE2 2.93Å; D181-V187 PolarHBondContact N-O 3.22Å; D181-E189 VanDerWaalsContact CA-CD 3.48Å; D181-E189 WeakPolarHBondContact CA-OE1 3.49Å; D181-E189 HydrophobicContact CB-CG 4.5Å
182K90.5Very high93.2Very high12 Ų1226.9 Ų26.95%0.05215%0.147CC..THydrogen-bonded Turntrans-57.8-31.1-178.4-175.9172.41771640113.6N184 S245 K246 E247 F289 L290 L311K182-N184 PolarHBondContact O-N 3.13Å; K182-S245 WeakPolarHBondContact CB-OG 3.36Å; K182-S245 WeakPolarHBondContact CD-O 3.18Å; K182-S245 PolarHBondContact N-OG 3.28Å; K182-K246 HydrophobicContact CB-CG 4.14Å; K182-E247 IonicContact NZ-OE1 2.87Å; K182-E247 PolarHBondContact NZ-OE1 2.86Å; K182-E247 IonicContact NZ-OE2 3.81Å; K182-E247 PolarHBondContact NZ-OE2 3.06Å; K182-F289 HydrophobicContact CG-CD2 4.2Å; K182-F289 HydrophobicContact CG-CE2 3.95Å; K182-L290 WeakPolarHBondContact CE-O 3.43Å; K182-L290 PolarHBondContact NZ-O 2.89Å; K182-L311 HydrophobicContact CG-CD1 4.03Å; K182-L311 HydrophobicContact CG-CD2 4.47Å; K182-L311 WeakPolarHBondContact O-CD2 3.4Å
183T86.9Confident93.2Very high45 Ų4524.1 Ų24.128%0.27613%0.129SC..THydrogen-bonded Turntrans-78.9-8.7179.4720000112.6D181 H185 Y306 L311D181-T183 PolarHBondContact O-N 3.44Å; D181-T183 WeakPolarHBondContact OD2-CA 3.21Å; D181-T183 VanDerWaalsContact OD2-CB 3.3Å; D181-T183 WeakPolarHBondContact OD2-CB 3.36Å; D181-T183 PolarHBondContact OD2-N 3.41Å; D181-T183 PolarHBondContact OD2-OG1 3.11Å; T183-H185 PolarHBondContact O-N 2.82Å; T183-H185 PolarHBondContact OG1-CD2 3.45Å; T183-H185 PolarHBondContact OG1-NE2 3.02Å; T183-Y306 WeakPolarHBondContact O-CB 3.31Å; T183-Y306 WeakPolarHBondContact O-CD2 3.43Å; T183-L311 HydrophobicContact CG2-CD1 3.55Å; T183-L311 HydrophobicContact CG2-CG 4.44Å
184N87.1Confident93.3Very high7 Ų724.2 Ų24.24%0.03713%0.13CC..  trans50.859.7177-177.337.4000111R179 D181 K182 L304 Y305 Y306R179-N184 HydrophobicContact CB-CB 4.33Å; R179-N184 WeakPolarHBondContact CB-OD1 3.37Å; R179-N184 HydrophobicContact CG-CB 4.47Å; R179-N184 WeakPolarHBondContact CG-OD1 3.41Å; D181-N184 PolarHBondContact O-N 3.19Å; K182-N184 PolarHBondContact O-N 3.13Å; N184-L304 PolarHBondContact ND2-O 2.76Å; N184-Y305 WeakPolarHBondContact O-CA 3.48Å; N184-Y305 VanDerWaalsContact O-CB 3.25Å; N184-Y305 WeakPolarHBondContact O-CB 3.43Å; N184-Y305 WeakPolarHBondContact O-CD1 3.23Å; N184-Y306 HydrophobicContact CB-CD2 3.85Å; N184-Y306 HydrophobicContact CB-CE2 4.01Å; N184-Y306 HydrophobicContact CB-CG 4.34Å; N184-Y306 PolarHBondContact O-N 3.4Å
185H86.6Confident93.4Very high97 Ų9723 Ų2345%0.44913%0.125SC..SBendtrans-112.821.8176.268.8128.5000112.3D181 T183 V187D181-H185 IonicContact OD1-CD2 3.2Å; D181-H185 PolarHBondContact OD1-CD2 3.25Å; D181-H185 IonicContact OD1-NE2 2.79Å; D181-H185 PolarHBondContact OD1-NE2 2.86Å; D181-H185 IonicContact OD2-CD2 2.82Å; D181-H185 PolarHBondContact OD2-CD2 3.45Å; D181-H185 IonicContact OD2-NE2 3.96Å; D181-H185 PolarHBondContact OD2-NE2 2.93Å; T183-H185 PolarHBondContact O-N 2.82Å; T183-H185 PolarHBondContact OG1-CD2 3.45Å; T183-H185 PolarHBondContact OG1-NE2 3.02Å; H185-V187 WeakPolarHBondContact CE1-CG2 3.36Å
186G84.9Confident93.5Very high22 Ų2223 Ų2323%0.22712%0.124CC..SBendtrans78.320.4177.900000113.8P188 Y305G186-P188 WeakPolarHBondContact O-CD 3.14Å; G186-Y305 VanDerWaalsContact CA-CE1 3.48Å; G186-Y305 VanDerWaalsContact N-CE1 3.31Å
187V91.4Very high93.6Very high65 Ų6522.7 Ų22.739%0.39412%0.122SC..  trans-103.2116.3-179.7177.10000110.3G180 D181 H185G180-V187 WeakPolarHBondContact CA-O 3.23Å; D181-V187 PolarHBondContact N-O 3.22Å; H185-V187 WeakPolarHBondContact CE1-CG2 3.36Å
188P95.3Very high93.9Very high32 Ų3221.7 Ų21.721%0.20812%0.118CC..  trans-63.8149.3171.4-21.834000112.1P101 P172 D173 F174 G186P101-P188 HydrophobicContact CG-CG 4.12Å; P172-P188 HydrophobicContact CB-CB 3.82Å; P172-P188 WeakPolarHBondContact O-CB 3.5Å; D173-P188 WeakPolarHBondContact O-CA 3.5Å; F174-P188 HydrophobicContact CD1-CG 4.42Å; F174-P188 HydrophobicContact CE1-CG 3.98Å; F174-P188 HydrophobicContact CE2-CG 4.22Å; F174-P188 HydrophobicContact CZ-CG 3.87Å; G186-P188 WeakPolarHBondContact O-CD 3.14Å
189E96Very high94.1Very high18 Ų1819.9 Ų19.98%0.08411%0.11CC..BIsolated β-bridgetrans-139.2166.6173.164.2179.3178.400110.4P172 D173 D181 N191 S243 S245 K246P172-E189 WeakPolarHBondContact CA-O 3.48Å; D173-E189 PolarHBondContact N-O 2.93Å; D173-E189 PolarHBondContact O-N 3.29Å; D173-E189 VanDerWaalsContact O-N 3.09Å; D181-E189 VanDerWaalsContact CA-CD 3.48Å; D181-E189 WeakPolarHBondContact CA-OE1 3.49Å; D181-E189 HydrophobicContact CB-CG 4.5Å; E189-N191 PolarHBondContact O-N 3.16Å; E189-N191 PolarHBondContact O-ND2 3.22Å; E189-S243 WeakPolarHBondContact OE1-CB 3.4Å; E189-S243 PolarHBondContact OE1-OG 3.07Å; E189-S243 PolarHBondContact OE2-OG 3.19Å; E189-S245 PolarHBondContact OE1-OG 3.38Å; E189-S245 WeakPolarHBondContact OE2-CB 3.27Å; E189-S245 PolarHBondContact OE2-N 3.11Å; E189-S245 PolarHBondContact OE2-OG 3.23Å; E189-K246 IonicContact OE1-NZ 2.9Å; E189-K246 PolarHBondContact OE1-NZ 3.14Å
190L97.5Very high94.5Very high56 Ų5618 Ų1829%0.29310%0.103SC..  trans-71.5122.4172.6-72.9174.8000109.6S243L190-S243 WeakPolarHBondContact O-CA 3.28Å; L190-S243 WeakPolarHBondContact O-CB 3.31Å
191N98Very high94.8Very high3 Ų318 Ų182%0.01610%0.103CC..  trans-111.4123.3-179.2-68.3-67.1000109.6D173 G175 E189 T193 S194 I195 E242 K246D173-N191 PolarHBondContact O-ND2 3.32Å; D173-N191 VanDerWaalsContact O-ND2 3.09Å; D173-N191 PolarHBondContact OD1-ND2 3.08Å; G175-N191 WeakPolarHBondContact CA-ND2 3.26Å; G175-N191 PolarHBondContact N-ND2 3.25Å; E189-N191 PolarHBondContact O-N 3.16Å; E189-N191 PolarHBondContact O-ND2 3.22Å; N191-T193 PolarHBondContact O-N 3.42Å; N191-S194 PolarHBondContact O-N 2.97Å; N191-S194 VanDerWaalsContact O-N 3.09Å; N191-I195 WeakPolarHBondContact O-CG1 3.29Å; N191-I195 PolarHBondContact O-N 3.09Å; N191-I195 VanDerWaalsContact O-N 3.12Å; N191-E242 CarbonylContact C-O 3.51Å; N191-E242 VanDerWaalsContact CB-OE1 3.26Å; N191-E242 WeakPolarHBondContact CB-OE1 3.49Å; N191-K246 PolarHBondContact OD1-NZ 2.95Å
192A98.5Very high95.2Very high0 Ų017.4 Ų17.40%010%0.099CC..Hα-helixtrans-62.2-33.4179.800000111.4S194 I195 G196 L235 L238 L239 E242 L252 I255A192-S194 VanDerWaalsContact C-N 3.35Å; A192-S194 PolarHBondContact O-N 3.11Å; A192-I195 PolarHBondContact O-N 2.9Å; A192-G196 PolarHBondContact O-N 2.69Å; A192-L235 HydrophobicContact CB-CD1 4.01Å; A192-L238 HydrophobicContact CB-CB 4.23Å; A192-L238 HydrophobicContact CB-CD1 4.12Å; A192-L239 HydrophobicContact CB-CD2 4.17Å; A192-E242 WeakPolarHBondContact CB-O 3.27Å; A192-E242 PolarHBondContact N-O 2.99Å; A192-E242 PolarHBondContact N-OE1 2.89Å; A192-L252 HydrophobicContact CB-CD2 3.84Å; A192-I255 VanDerWaalsContact O-CD1 3.32Å; A192-I255 WeakPolarHBondContact O-CD1 3.35Å
193T98.5Very high95.5Very high1 Ų119.2 Ų19.21%0.00611%0.108CC..Hα-helixtrans-55.5-46.1170.450.10000112.5N191 M197 E242 G251 L252 I255N191-T193 PolarHBondContact O-N 3.42Å; T193-M197 VanDerWaalsContact O-CB 3.27Å; T193-M197 WeakPolarHBondContact O-CB 3.35Å; T193-M197 PolarHBondContact O-N 3.09Å; T193-E242 WeakPolarHBondContact CB-OE1 3.49Å; T193-E242 WeakPolarHBondContact CG2-OE2 3.37Å; T193-E242 PolarHBondContact N-OE1 3.24Å; T193-E242 PolarHBondContact N-OE2 2.87Å; T193-E242 VanDerWaalsContact N-OE2 3.15Å; T193-E242 PolarHBondContact OG1-OE1 3.06Å; T193-G251 VanDerWaalsContact CG2-C 3.45Å; T193-L252 HydrophobicContact CG2-CD2 4.33Å; T193-I255 WeakPolarHBondContact O-CG2 3.11Å
194S98.5Very high96Very high3 Ų317.5 Ų17.52%0.02110%0.098CC..Hα-helixtrans-65.2-42.4177.3-56.60000113.2D173 N191 A192 T198D173-S194 VanDerWaalsContact CG-OG 3.29Å; D173-S194 PolarHBondContact OD1-OG 2.8Å; D173-S194 WeakPolarHBondContact OD2-CB 3.49Å; D173-S194 PolarHBondContact OD2-OG 3.4Å; N191-S194 PolarHBondContact O-N 2.97Å; N191-S194 VanDerWaalsContact O-N 3.09Å; A192-S194 VanDerWaalsContact C-N 3.35Å; A192-S194 PolarHBondContact O-N 3.11Å; S194-T198 VanDerWaalsContact O-CB 3.23Å; S194-T198 WeakPolarHBondContact O-CB 3.48Å; S194-T198 PolarHBondContact O-N 3.44Å; S194-T198 PolarHBondContact O-OG1 3.28Å
195I98.6Very high96.5Very high1 Ų117.1 Ų17.11%0.00510%0.096CC..Hα-helixtrans-67.5-46.4179.1-61.2170.6000110.6N191 A192 T198 K199 C231 V234 L235 L238N191-I195 WeakPolarHBondContact O-CG1 3.29Å; N191-I195 PolarHBondContact O-N 3.09Å; N191-I195 VanDerWaalsContact O-N 3.12Å; A192-I195 PolarHBondContact O-N 2.9Å; I195-T198 PolarHBondContact O-N 3.18Å; I195-K199 WeakPolarHBondContact O-CB 3.37Å; I195-K199 PolarHBondContact O-N 2.84Å; I195-C231 HydrophobicContact CG2-CB 3.92Å; I195-C231 WeakPolarHBondContact CG2-O 3.32Å; I195-V234 HydrophobicContact CD1-CB 4.49Å; I195-V234 HydrophobicContact CD1-CG1 3.66Å; I195-L235 HydrophobicContact CG2-CB 4.25Å; I195-L238 HydrophobicContact CD1-CD1 3.73Å
196G98.5Very high97Very high0 Ų016.5 Ų16.50%010%0.096CC..Hα-helixtrans-64.8-44.8179.600000112.6A192 T198 K199 A200 A262A192-G196 PolarHBondContact O-N 2.69Å; G196-T198 VanDerWaalsContact C-N 3.34Å; G196-T198 PolarHBondContact O-N 3.29Å; G196-K199 PolarHBondContact O-N 3.27Å; G196-A200 PolarHBondContact O-N 3.38Å; G196-A200 VanDerWaalsContact O-N 3.08Å; G196-A262 WeakPolarHBondContact O-CB 3.37Å
197M98.8Very high97.6Very high2 Ų217.8 Ų17.81%0.0111%0.109CC..Hα-helixtrans-64.5-40.4177-166.961.96500111.5D129 A132 L133 L136 T193 A200 A201 I255 P259 A260D129-M197 HydrophobicContact CB-CB 4.34Å; A132-M197 HydrophobicContact CB-CB 4.11Å; A132-M197 HydrophobicContact CB-CG 3.73Å; L133-M197 HydrophobicContact CB-CG 4.04Å; L133-M197 HydrophobicContact CB-SD 4.08Å; L133-M197 HydrophobicContact CD1-CE 4.08Å; L133-M197 HydrophobicContact CD1-SD 3.92Å; L136-M197 HydrophobicContact CD2-SD 3.78Å; T193-M197 VanDerWaalsContact O-CB 3.27Å; T193-M197 WeakPolarHBondContact O-CB 3.35Å; T193-M197 PolarHBondContact O-N 3.09Å; M197-A200 PolarHBondContact O-N 3.43Å; M197-A201 PolarHBondContact O-N 3.43Å; M197-I255 HydrophobicContact CB-CG2 4.45Å; M197-I255 HydrophobicContact CE-CG2 4.45Å; M197-P259 HydrophobicContact CE-CG 4.21Å; M197-A260 HydrophobicContact CE-CB 4.01Å; M197-A260 HydrophobicContact SD-CB 3.86Å
198T98.7Very high97.8Very high0 Ų015.9 Ų15.90%010%0.097CC..Hα-helixtrans-60.5-51.5174.7-63.80000111.4I128 I165 A168 S194 I195 G196 A200 A201 L202I128-T198 WeakPolarHBondContact CG2-OG1 3.41Å; I165-T198 HydrophobicContact CB-CG2 4.15Å; I165-T198 HydrophobicContact CD1-CG2 4.08Å; I165-T198 HydrophobicContact CG1-CG2 4.18Å; I165-T198 WeakPolarHBondContact O-CG2 3.29Å; A168-T198 HydrophobicContact CB-CG2 3.62Å; A168-T198 WeakPolarHBondContact CB-OG1 3.2Å; S194-T198 VanDerWaalsContact O-CB 3.23Å; S194-T198 WeakPolarHBondContact O-CB 3.48Å; S194-T198 PolarHBondContact O-N 3.44Å; S194-T198 PolarHBondContact O-OG1 3.28Å; I195-T198 PolarHBondContact O-N 3.18Å; G196-T198 VanDerWaalsContact C-N 3.34Å; G196-T198 PolarHBondContact O-N 3.29Å; T198-A200 PolarHBondContact O-N 2.99Å; T198-A201 PolarHBondContact O-N 2.91Å; T198-A201 VanDerWaalsContact O-N 3.09Å; T198-L202 HydrophobicContact CG2-CD1 3.8Å; T198-L202 HydrophobicContact CG2-CG 3.98Å; T198-L202 WeakPolarHBondContact O-CB 3.46Å; T198-L202 VanDerWaalsContact O-CG 3.3Å; T198-L202 WeakPolarHBondContact O-CG 3.42Å; T198-L202 PolarHBondContact O-N 3.12Å
199K98.5Very high97.9Very high1 Ų115.9 Ų15.90%0.00410%0.095CC..Hα-helixtrans-50.2-48176.2179.3178.5-178.2-88.30110.9I195 G196 L202 E203 I228 C231 Q232 A262 E264I195-K199 WeakPolarHBondContact O-CB 3.37Å; I195-K199 PolarHBondContact O-N 2.84Å; G196-K199 PolarHBondContact O-N 3.27Å; K199-L202 PolarHBondContact O-N 3.26Å; K199-E203 WeakPolarHBondContact CE-OE1 3.5Å; K199-E203 IonicContact NZ-OE1 3.27Å; K199-E203 PolarHBondContact NZ-OE1 2.9Å; K199-E203 IonicContact NZ-OE2 3.99Å; K199-E203 WeakPolarHBondContact O-CB 3.3Å; K199-E203 WeakPolarHBondContact O-CG 3.43Å; K199-E203 PolarHBondContact O-N 3.39Å; K199-I228 HydrophobicContact CG-CG2 4.29Å; K199-C231 HydrophobicContact CB-CB 3.88Å; K199-C231 HydrophobicContact CG-CB 4.39Å; K199-Q232 HydrophobicContact CD-CB 4.19Å; K199-Q232 VanDerWaalsContact NZ-OE1 3.12Å; K199-A262 WeakPolarHBondContact CD-O 3.41Å; K199-A262 PolarHBondContact NZ-O 3.49Å; K199-E264 IonicContact NZ-OE1 3.74Å; K199-E264 PolarHBondContact NZ-OE1 3.46Å
200A98.5Very high98Very high0 Ų015 Ų150%09%0.091CC..Hα-helixtrans-64-42.6-179.100000113.3L136 G196 M197 T198 A204 A260 A262 R421L136-A200 HydrophobicContact CD1-CB 4.42Å; L136-A200 HydrophobicContact CD2-CB 4.18Å; G196-A200 PolarHBondContact O-N 3.38Å; G196-A200 VanDerWaalsContact O-N 3.08Å; M197-A200 PolarHBondContact O-N 3.43Å; T198-A200 PolarHBondContact O-N 2.99Å; A200-A204 WeakPolarHBondContact O-CB 3.29Å; A200-A204 PolarHBondContact O-N 2.92Å; A200-A260 HydrophobicContact CB-CB 3.63Å; A200-A260 WeakPolarHBondContact CB-O 3.45Å; A200-A262 HydrophobicContact CB-CB 4.25Å; A200-R421 VanDerWaalsContact CA-CZ 3.43Å; A200-R421 VanDerWaalsContact CA-NH2 3.31Å; A200-R421 PolarHBondContact O-NH1 2.8Å; A200-R421 VanDerWaalsContact O-NH1 3.1Å
201A98.7Very high97.9Very high0 Ų014.2 Ų14.20%09%0.085CC..Hα-helixtrans-63.8-45.7176.600000112.1A132 L135 L136 I165 M197 T198 A204 L205A132-A201 HydrophobicContact CB-CB 4.13Å; A132-A201 VanDerWaalsContact O-CB 3.3Å; A132-A201 WeakPolarHBondContact O-CB 3.4Å; L135-A201 HydrophobicContact CB-CB 4.09Å; L136-A201 HydrophobicContact CB-CB 4.11Å; I165-A201 HydrophobicContact CD1-CB 4.04Å; M197-A201 PolarHBondContact O-N 3.43Å; T198-A201 PolarHBondContact O-N 2.91Å; T198-A201 VanDerWaalsContact O-N 3.09Å; A201-A204 PolarHBondContact O-N 2.94Å; A201-L205 WeakPolarHBondContact O-CB 3.4Å; A201-L205 WeakPolarHBondContact O-CG 3.42Å; A201-L205 PolarHBondContact O-N 2.92Å
202L98.6Very high97.7Very high0 Ų015.5 Ų15.50%010%0.099CC..Hα-helixtrans-60.8-47.2178.6-71.8-174.2000111.8V162 I165 T198 K199 A204 L205 N206 V223 E227 I228V162-L202 HydrophobicContact CG1-CD2 3.87Å; I165-L202 HydrophobicContact CD1-CD2 4.08Å; I165-L202 HydrophobicContact CD1-CG 4.42Å; I165-L202 HydrophobicContact CG1-CD2 4.12Å; T198-L202 HydrophobicContact CG2-CD1 3.8Å; T198-L202 HydrophobicContact CG2-CG 3.98Å; T198-L202 WeakPolarHBondContact O-CB 3.46Å; T198-L202 VanDerWaalsContact O-CG 3.3Å; T198-L202 WeakPolarHBondContact O-CG 3.42Å; T198-L202 PolarHBondContact O-N 3.12Å; K199-L202 PolarHBondContact O-N 3.26Å; L202-A204 VanDerWaalsContact C-N 3.33Å; L202-A204 PolarHBondContact O-N 2.82Å; L202-L205 PolarHBondContact O-N 3.48Å; L202-N206 WeakPolarHBondContact O-CB 3.48Å; L202-N206 PolarHBondContact O-N 3.25Å; L202-V223 HydrophobicContact CB-CG1 3.88Å; L202-V223 HydrophobicContact CD1-CG1 4.49Å; L202-V223 HydrophobicContact CD2-CG1 3.91Å; L202-V223 HydrophobicContact CD2-CG2 4.38Å; L202-V223 HydrophobicContact CG-CG1 4.29Å; L202-E227 HydrophobicContact CD1-CB 4.32Å; L202-I228 HydrophobicContact CB-CD1 4.25Å; L202-I228 HydrophobicContact CB-CG1 3.8Å; L202-I228 HydrophobicContact CD1-CG1 4.3Å
203E98Very high97.3Very high51 Ų5120.5 Ų20.524%0.23814%0.14CC..Hα-helixtrans-63.2-38.1175.1-76.2173168.700112.9K199 I228 R421K199-E203 WeakPolarHBondContact CE-OE1 3.5Å; K199-E203 IonicContact NZ-OE1 3.27Å; K199-E203 PolarHBondContact NZ-OE1 2.9Å; K199-E203 IonicContact NZ-OE2 3.99Å; K199-E203 WeakPolarHBondContact O-CB 3.3Å; K199-E203 WeakPolarHBondContact O-CG 3.43Å; K199-E203 PolarHBondContact O-N 3.39Å; E203-I228 HydrophobicContact CG-CD1 3.96Å; E203-I228 HydrophobicContact CG-CG1 4.35Å; E203-I228 HydrophobicContact CG-CG2 3.69Å; E203-R421 IonicContact OE2-CZ 3.89Å; E203-R421 VanDerWaalsContact OE2-CZ 3.27Å; E203-R421 IonicContact OE2-NH1 3.44Å; E203-R421 PolarHBondContact OE2-NH1 2.81Å; E203-R421 IonicContact OE2-NH2 2.87Å; E203-R421 PolarHBondContact OE2-NH2 3.28Å
204A97.7Very high96.9Very high8 Ų828.2 Ų28.27%0.06617%0.174CC..Hα-helixtrans-70.8-32.2179.700000112.8L136 A139 A200 A201 L202 L419L136-A204 HydrophobicContact CD1-CB 3.74Å; A139-A204 HydrophobicContact CB-CB 3.75Å; A200-A204 WeakPolarHBondContact O-CB 3.29Å; A200-A204 PolarHBondContact O-N 2.92Å; A201-A204 PolarHBondContact O-N 2.94Å; L202-A204 VanDerWaalsContact C-N 3.33Å; L202-A204 PolarHBondContact O-N 2.82Å; A204-L419 HydrophobicContact CB-CD1 3.62Å
205L97.8Very high96.5Very high0 Ų029.4 Ų29.40%019%0.187CC..Hα-helixtrans-87.1-23.5-178.8-76.6172.1000113.9L135 A139 V162 A201 L202 G207 L208 L210 I221 V223L135-L205 HydrophobicContact CB-CD1 3.87Å; L135-L205 HydrophobicContact CD1-CD1 4.19Å; L135-L205 HydrophobicContact CD2-CD1 4.07Å; L135-L205 HydrophobicContact CG-CD1 4.25Å; A139-L205 HydrophobicContact CB-CD2 4.01Å; A139-L205 HydrophobicContact CB-CG 4.29Å; V162-L205 HydrophobicContact CG2-CD1 3.73Å; A201-L205 WeakPolarHBondContact O-CB 3.4Å; A201-L205 WeakPolarHBondContact O-CG 3.42Å; A201-L205 PolarHBondContact O-N 2.92Å; L202-L205 PolarHBondContact O-N 3.48Å; L205-G207 PolarHBondContact O-N 2.71Å; L205-L208 HydrophobicContact CD2-CD2 4.19Å; L205-L208 WeakPolarHBondContact O-CB 3.17Å; L205-L208 PolarHBondContact O-N 3.4Å; L205-L210 HydrophobicContact CD2-CD2 4.33Å; L205-I221 HydrophobicContact CB-CG2 3.93Å; L205-V223 HydrophobicContact CB-CG2 4.28Å
206N96.8Very high96.3Very high83 Ų8331.5 Ų31.544%0.44420%0.202SC..THydrogen-bonded Turntrans-60.8111.3-173.9-171.522000111.9L202 L208 V223L202-N206 WeakPolarHBondContact O-CB 3.48Å; L202-N206 PolarHBondContact O-N 3.25Å; N206-L208 VanDerWaalsContact C-N 3.25Å; N206-L208 PolarHBondContact O-N 2.58Å; N206-V223 HydrophobicContact CB-CB 3.86Å; N206-V223 HydrophobicContact CB-CG2 4.12Å; N206-V223 PolarHBondContact OD1-O 2.96Å
207G95.9Very high96.1Very high49 Ų4936.9 Ų36.951%0.50524%0.237SC..THydrogen-bonded Turntrans76.68.1-177.800000114.4L205 I221L205-G207 PolarHBondContact O-N 2.71Å; G207-I221 WeakPolarHBondContact CA-O 3.37Å; G207-I221 PolarHBondContact N-O 3.09Å
208L96.6Very high96Very high26 Ų2642.6 Ų42.614%0.13627%0.267CS..  trans-75.6132176-176.571.3000110.5A139 T142 L205 N206 L210 V220 I221A139-L208 VanDerWaalsContact CA-CD2 3.46Å; A139-L208 HydrophobicContact CB-CD2 3.61Å; T142-L208 HydrophobicContact CG2-CD2 4.46Å; L205-L208 HydrophobicContact CD2-CD2 4.19Å; L205-L208 WeakPolarHBondContact O-CB 3.17Å; L205-L208 PolarHBondContact O-N 3.4Å; N206-L208 VanDerWaalsContact C-N 3.25Å; N206-L208 PolarHBondContact O-N 2.58Å; L208-L210 HydrophobicContact CD2-CD2 4.25Å; L208-V220 WeakPolarHBondContact O-CA 3.42Å; L208-I221 PolarHBondContact O-N 2.76Å
209D97.5Very high95.9Very high31 Ų3142.6 Ų42.617%0.16627%0.267CS..BIsolated β-bridgetrans-87114.6169.8-164.2-36.7000110.7T142 F211 G212 G215 S216 S219 V220T142-D209 WeakPolarHBondContact CG2-O 3.5Å; D209-F211 PolarHBondContact O-N 2.86Å; D209-F211 PolarHBondContact OD1-N 3.27Å; D209-G212 WeakPolarHBondContact O-CA 3.22Å; D209-G212 PolarHBondContact O-N 3.14Å; D209-G215 WeakPolarHBondContact OD1-CA 3.41Å; D209-G215 WeakPolarHBondContact OD2-CA 3.29Å; D209-S216 PolarHBondContact OD2-N 3.44Å; D209-S219 VanDerWaalsContact CG-OG 3.25Å; D209-S219 VanDerWaalsContact OD1-CB 3.25Å; D209-S219 WeakPolarHBondContact OD1-CB 3.46Å; D209-S219 PolarHBondContact OD1-OG 2.85Å; D209-S219 PolarHBondContact OD2-OG 3.02Å; D209-V220 HydrophobicContact CB-CG2 4.16Å
210L97.3Very high95.9Very high0 Ų044.1 Ų44.10%028%0.277CS..THydrogen-bonded Turntrans-70.5-13-176.4-68.3178.2000114.2L138 V149 V155 V158 L205 L208 G212 S219 I221L138-L210 HydrophobicContact CD2-CD2 4.2Å; L138-L210 HydrophobicContact CG-CD2 4.37Å; V149-L210 HydrophobicContact CB-CB 4.16Å; V149-L210 HydrophobicContact CG1-CB 4.32Å; V149-L210 HydrophobicContact CG2-CB 4.16Å; V149-L210 HydrophobicContact CG2-CD1 4.25Å; V155-L210 HydrophobicContact CB-CD1 4.41Å; V155-L210 HydrophobicContact CG1-CD1 4.25Å; V155-L210 HydrophobicContact CG2-CB 4.26Å; V155-L210 HydrophobicContact CG2-CD1 4.28Å; V158-L210 HydrophobicContact CB-CD1 3.75Å; V158-L210 HydrophobicContact CG1-CD1 3.67Å; V158-L210 HydrophobicContact CG2-CD1 4.15Å; L205-L210 HydrophobicContact CD2-CD2 4.33Å; L208-L210 HydrophobicContact CD2-CD2 4.25Å; L210-G212 VanDerWaalsContact C-N 3.33Å; L210-S219 PolarHBondContact N-O 3.14Å; L210-I221 HydrophobicContact CD1-CD1 3.62Å; L210-I221 HydrophobicContact CD1-CG1 3.5Å; L210-I221 HydrophobicContact CD2-CG1 4.28Å; L210-I221 HydrophobicContact CG-CD1 4.39Å; L210-I221 HydrophobicContact CG-CG1 3.74Å
211F96.8Very high95.9Very high40 Ų4044.1 Ų44.118%0.17528%0.277CS..THydrogen-bonded Turntrans-93.56.4169.7-64.9-22.3000112.6V149 L152 V155 D209 A213 F214 S219V149-F211 HydrophobicContact CB-CE1 4.44Å; V149-F211 HydrophobicContact CG1-CE1 3.98Å; V149-F211 WeakPolarHBondContact O-CD1 3.3Å; V149-F211 WeakPolarHBondContact O-CE1 3.32Å; L152-F211 HydrophobicContact CD2-CE2 3.89Å; L152-F211 HydrophobicContact CD2-CZ 4.23Å; L152-F211 HydrophobicContact CG-CE2 4.47Å; V155-F211 HydrophobicContact CG2-CE1 3.99Å; V155-F211 HydrophobicContact CG2-CZ 3.97Å; D209-F211 PolarHBondContact O-N 2.86Å; D209-F211 PolarHBondContact OD1-N 3.27Å; F211-A213 PolarHBondContact O-N 3.47Å; F211-F214 PolarHBondContact O-N 2.92Å; F211-S219 VanDerWaalsContact CD2-CB 3.44Å
212G92.5Very high95.8Very high30 Ų3049.7 Ų49.731%0.30930%0.303SS..G310 helixtrans58.4-126.4-179.400000111.3D209 L210 F214 G215D209-G212 WeakPolarHBondContact O-CA 3.22Å; D209-G212 PolarHBondContact O-N 3.14Å; L210-G212 VanDerWaalsContact C-N 3.33Å; G212-F214 PolarHBondContact O-N 3.46Å; G212-G215 PolarHBondContact O-N 3.06Å
213A89.9Confident95.8Very high104 Ų10450.3 Ų50.386%0.8631%0.306SS*.G310 helixtrans-68-12.9-176.800000115F211F211-A213 PolarHBondContact O-N 3.47Å
214F91.4Very high95.6Very high163 Ų16353.4 Ų53.472%0.71532%0.322SS*.G310 helixtrans-106.16.9-175.5-56.7-84.6000113.4F211 G212F211-F214 PolarHBondContact O-N 2.92Å; G212-F214 PolarHBondContact O-N 3.46Å
215G89.6Confident95.5Very high29 Ų2954.9 Ų54.930%0.29934%0.338SS..  trans-82.2-172.5-173.100000115.4D209 G212 S219D209-G215 WeakPolarHBondContact OD1-CA 3.41Å; D209-G215 WeakPolarHBondContact OD2-CA 3.29Å; G212-G215 PolarHBondContact O-N 3.06Å; G215-S219 WeakPolarHBondContact CA-OG 3.37Å
216S93.2Very high95.4Very high45 Ų4560.3 Ų60.332%0.31537%0.368SS..  trans-150.2170.2-174.872.10000108.8D209 N218 S219D209-S216 PolarHBondContact OD2-N 3.44Å; S216-N218 PolarHBondContact O-N 3.31Å; S216-N218 PolarHBondContact OG-N 3.16Å; S216-S219 PolarHBondContact N-OG 2.91Å; S216-S219 PolarHBondContact O-N 3.37Å; S216-S219 PolarHBondContact O-OG 3.17Å
217P94.6Very high95.4Very high113 Ų11357.8 Ų57.873%0.73435%0.353SS*.G310 helixtrans-52.4-22.3173.8-28.136.3000114.7
218N96.7Very high95.5Very high121 Ų12156 Ų5665%0.64733%0.332SS*.G310 helixtrans-80.5-14.4178-61-33.5000114.2L152 S216L152-N218 HydrophobicContact CD2-CB 3.97Å; S216-N218 PolarHBondContact O-N 3.31Å; S216-N218 PolarHBondContact OG-N 3.16Å
219S97.4Very high95.5Very high0 Ų060.6 Ų60.60%035%0.352CS..G310 helixtrans-104.64.8177.852.20000113.3D209 L210 F211 G215 S216D209-S219 VanDerWaalsContact CG-OG 3.25Å; D209-S219 VanDerWaalsContact OD1-CB 3.25Å; D209-S219 WeakPolarHBondContact OD1-CB 3.46Å; D209-S219 PolarHBondContact OD1-OG 2.85Å; D209-S219 PolarHBondContact OD2-OG 3.02Å; L210-S219 PolarHBondContact N-O 3.14Å; F211-S219 VanDerWaalsContact CD2-CB 3.44Å; G215-S219 WeakPolarHBondContact CA-OG 3.37Å; S216-S219 PolarHBondContact N-OG 2.91Å; S216-S219 PolarHBondContact O-N 3.37Å; S216-S219 PolarHBondContact O-OG 3.17Å
220V98.2Very high95.5Very high33 Ų3363.5 Ų63.520%0.237%0.365CS..BIsolated β-bridgetrans-84132.9177.21770000110.4L208 D209L208-V220 WeakPolarHBondContact O-CA 3.42Å; D209-V220 HydrophobicContact CB-CG2 4.16Å
221I98.3Very high95.6Very high0 Ų063.5 Ų63.50%037%0.365CS..  trans-87.2136.9173.1-64.9-63.6000110.5V155 V158 Q159 V162 L205 G207 L208 L210 V223V155-I221 HydrophobicContact CG1-CD1 4.3Å; V158-I221 HydrophobicContact CB-CD1 4.28Å; V158-I221 HydrophobicContact CG1-CD1 4Å; V158-I221 HydrophobicContact CG1-CG1 4.31Å; Q159-I221 HydrophobicContact CB-CD1 3.84Å; V162-I221 HydrophobicContact CG2-CG2 3.76Å; L205-I221 HydrophobicContact CB-CG2 3.93Å; G207-I221 WeakPolarHBondContact CA-O 3.37Å; G207-I221 PolarHBondContact N-O 3.09Å; L208-I221 PolarHBondContact O-N 2.76Å; L210-I221 HydrophobicContact CD1-CD1 3.62Å; L210-I221 HydrophobicContact CD1-CG1 3.5Å; L210-I221 HydrophobicContact CD2-CG1 4.28Å; L210-I221 HydrophobicContact CG-CD1 4.39Å; L210-I221 HydrophobicContact CG-CG1 3.74Å; I221-V223 HydrophobicContact CG2-CG2 4.27Å
222H97.7Very high95.6Very high118 Ų11861.7 Ų61.755%0.54636%0.357SS..  trans-111.4131.4179.5-60.4-68.7000110.4Q159Q159-H222 PolarHBondContact NE2-O 3.28Å; Q159-H222 PolarHBondContact OE1-O 3.09Å
223V97.8Very high95.8Very high13 Ų1362.8 Ų62.88%0.07936%0.363CS..  trans-128.9135.8177.9178.60000108.7V162 L202 L205 N206 I221 I228V162-V223 HydrophobicContact CG1-CG2 3.95Å; L202-V223 HydrophobicContact CB-CG1 3.88Å; L202-V223 HydrophobicContact CD1-CG1 4.49Å; L202-V223 HydrophobicContact CD2-CG1 3.91Å; L202-V223 HydrophobicContact CD2-CG2 4.38Å; L202-V223 HydrophobicContact CG-CG1 4.29Å; L205-V223 HydrophobicContact CB-CG2 4.28Å; N206-V223 HydrophobicContact CB-CB 3.86Å; N206-V223 HydrophobicContact CB-CG2 4.12Å; N206-V223 PolarHBondContact OD1-O 2.96Å; I221-V223 HydrophobicContact CG2-CG2 4.27Å; V223-I228 HydrophobicContact CG1-CD1 3.96Å; V223-I228 HydrophobicContact CG1-CG1 4.21Å
224M94.4Very high96.2Very high115 Ų11559.3 Ų59.357%0.56733%0.331SS*.  trans-75125.6175.9-64-60-69.200109.9D226 E227M224-D226 PolarHBondContact O-N 3.33Å; M224-E227 HydrophobicContact CB-CG 3.88Å; M224-E227 PolarHBondContact O-N 3.41Å
225G93.9Very high96.4Very high40 Ų4051.6 Ų51.641%0.41230%0.297SS..Hα-helixtrans-61.1-31.4-178.800000113.7E227 I228 Q229G225-E227 VanDerWaalsContact C-N 3.34Å; G225-E227 PolarHBondContact O-N 3.29Å; G225-I228 WeakPolarHBondContact O-CB 3.32Å; G225-I228 PolarHBondContact O-N 2.84Å; G225-Q229 WeakPolarHBondContact O-CG 3.45Å; G225-Q229 PolarHBondContact O-N 3.48Å
226D96.9Very high96.7Very high114 Ų11456.4 Ų56.461%0.6131%0.307SS*.Hα-helixtrans-62.5-39.7179.8-65.7-11.1000111.7M224 I228 Q229 E230M224-D226 PolarHBondContact O-N 3.33Å; D226-I228 VanDerWaalsContact C-N 3.29Å; D226-I228 PolarHBondContact O-N 3.09Å; D226-Q229 WeakPolarHBondContact O-CB 3.3Å; D226-Q229 PolarHBondContact O-N 3.27Å; D226-E230 WeakPolarHBondContact O-CG 3.41Å; D226-E230 PolarHBondContact O-N 3.23Å
227E96.8Very high96.9Very high30 Ų3058.7 Ų58.714%0.1432%0.323CS..Hα-helixtrans-63.7-35.7179.7-53.9-65.3141.800111.6E166 H167 Y169 L202 M224 G225 C231E166-E227 HydrophobicContact CB-CB 4.39Å; E166-E227 HydrophobicContact CB-CG 4.18Å; H167-E227 IonicContact CE1-OE1 2.69Å; H167-E227 IonicContact CE1-OE2 3.48Å; H167-E227 PolarHBondContact CE1-OE2 2.95Å; H167-E227 VanDerWaalsContact CE1-OE2 3.25Å; H167-E227 IonicContact CG-OE2 2.84Å; H167-E227 IonicContact ND1-OE1 3.96Å; H167-E227 IonicContact ND1-OE2 2.83Å; H167-E227 PolarHBondContact ND1-OE2 2.86Å; Y169-E227 WeakPolarHBondContact CE1-OE2 3.5Å; Y169-E227 PolarHBondContact OH-OE2 3.04Å; L202-E227 HydrophobicContact CD1-CB 4.32Å; M224-E227 HydrophobicContact CB-CG 3.88Å; M224-E227 PolarHBondContact O-N 3.41Å; G225-E227 VanDerWaalsContact C-N 3.34Å; G225-E227 PolarHBondContact O-N 3.29Å; E227-C231 PolarHBondContact O-N 3.48Å; E227-C231 PolarHBondContact O-SG 2.94Å
228I97.4Very high97Very high12 Ų1254.9 Ų54.96%0.06230%0.296CS..Hα-helixtrans-66.4-42173.7-64.2169.6000110.4K199 L202 E203 V223 G225 D226 C231 Q232K199-I228 HydrophobicContact CG-CG2 4.29Å; L202-I228 HydrophobicContact CB-CD1 4.25Å; L202-I228 HydrophobicContact CB-CG1 3.8Å; L202-I228 HydrophobicContact CD1-CG1 4.3Å; E203-I228 HydrophobicContact CG-CD1 3.96Å; E203-I228 HydrophobicContact CG-CG1 4.35Å; E203-I228 HydrophobicContact CG-CG2 3.69Å; V223-I228 HydrophobicContact CG1-CD1 3.96Å; V223-I228 HydrophobicContact CG1-CG1 4.21Å; G225-I228 WeakPolarHBondContact O-CB 3.32Å; G225-I228 PolarHBondContact O-N 2.84Å; D226-I228 VanDerWaalsContact C-N 3.29Å; D226-I228 PolarHBondContact O-N 3.09Å; I228-C231 PolarHBondContact O-N 3.48Å; I228-Q232 WeakPolarHBondContact O-CB 3.44Å; I228-Q232 PolarHBondContact O-N 3.46Å
229Q97.4Very high97Very high121 Ų12149.8 Ų49.857%0.56527%0.269SS*.Hα-helixtrans-67.3-39.9178.9-65.4-55.9-49.900112.1G225 D226 Q232 A233G225-Q229 WeakPolarHBondContact O-CG 3.45Å; G225-Q229 PolarHBondContact O-N 3.48Å; D226-Q229 WeakPolarHBondContact O-CB 3.3Å; D226-Q229 PolarHBondContact O-N 3.27Å; Q229-Q232 WeakPolarHBondContact O-CB 3.43Å; Q229-Q232 PolarHBondContact O-N 3Å; Q229-A233 WeakPolarHBondContact O-CB 3.25Å; Q229-A233 PolarHBondContact O-N 3.03Å
230E98.1Very high97.1Very high92 Ų9251.5 Ų51.543%0.4328%0.28SS..Hα-helixtrans-63.8-44.7174.9-69.5-60.4156.500111.4Y169 D226 Q232 A233 V234Y169-E230 HydrophobicContact CD1-CB 3.74Å; Y169-E230 HydrophobicContact CD2-CB 3.82Å; Y169-E230 HydrophobicContact CE1-CB 3.75Å; Y169-E230 HydrophobicContact CE1-CG 4.4Å; Y169-E230 HydrophobicContact CE2-CB 3.81Å; Y169-E230 HydrophobicContact CE2-CG 4.1Å; Y169-E230 HydrophobicContact CG-CB 3.79Å; D226-E230 WeakPolarHBondContact O-CG 3.41Å; D226-E230 PolarHBondContact O-N 3.23Å; E230-Q232 VanDerWaalsContact C-N 3.29Å; E230-Q232 PolarHBondContact O-N 3.35Å; E230-A233 PolarHBondContact O-N 3.38Å; E230-V234 WeakPolarHBondContact O-CG2 3.22Å; E230-V234 PolarHBondContact O-N 2.76Å
231C97.8Very high97.1Very high0 Ų054.7 Ų54.70%029%0.288CS..Hα-helixtrans-57.4-43.6172.4-68.90000111.7I195 K199 E227 I228 L235I195-C231 HydrophobicContact CG2-CB 3.92Å; I195-C231 WeakPolarHBondContact CG2-O 3.32Å; K199-C231 HydrophobicContact CB-CB 3.88Å; K199-C231 HydrophobicContact CG-CB 4.39Å; E227-C231 PolarHBondContact O-N 3.48Å; E227-C231 PolarHBondContact O-SG 2.94Å; I228-C231 PolarHBondContact O-N 3.48Å; C231-L235 WeakPolarHBondContact O-CB 3.38Å; C231-L235 PolarHBondContact O-N 3.06Å
232Q97.2Very high97.1Very high3 Ų354.8 Ų54.81%0.01429%0.289CS..Hα-helixtrans-63.7-41177.7-178.756.682.800112.4K199 I228 Q229 E230 R236 E264K199-Q232 HydrophobicContact CD-CB 4.19Å; K199-Q232 VanDerWaalsContact NZ-OE1 3.12Å; I228-Q232 WeakPolarHBondContact O-CB 3.44Å; I228-Q232 PolarHBondContact O-N 3.46Å; Q229-Q232 WeakPolarHBondContact O-CB 3.43Å; Q229-Q232 PolarHBondContact O-N 3Å; E230-Q232 VanDerWaalsContact C-N 3.29Å; E230-Q232 PolarHBondContact O-N 3.35Å; Q232-R236 WeakPolarHBondContact O-CG 3.45Å; Q232-R236 PolarHBondContact O-N 3.11Å; Q232-R236 VanDerWaalsContact O-N 3.1Å; Q232-E264 PolarHBondContact OE1-OE1 2.92Å
233A97.5Very high97.1Very high53 Ų5349.1 Ų49.144%0.43826%0.263SS..Hα-helixtrans-66.1-49.3179.700000111.4Q229 E230 R236 S237Q229-A233 WeakPolarHBondContact O-CB 3.25Å; Q229-A233 PolarHBondContact O-N 3.03Å; E230-A233 PolarHBondContact O-N 3.38Å; A233-R236 PolarHBondContact O-N 3.06Å; A233-S237 PolarHBondContact O-N 3.06Å
234V97.4Very high96.9Very high31 Ų3158.7 Ų58.719%0.18830%0.299CS..Hα-helixtrans-64.4-45.2178.2178.40000110.6I195 E230 R236 S237 L238I195-V234 HydrophobicContact CD1-CB 4.49Å; I195-V234 HydrophobicContact CD1-CG1 3.66Å; E230-V234 WeakPolarHBondContact O-CG2 3.22Å; E230-V234 PolarHBondContact O-N 2.76Å; V234-R236 VanDerWaalsContact C-N 3.3Å; V234-R236 PolarHBondContact O-N 3.16Å; V234-S237 PolarHBondContact O-N 2.88Å; V234-S237 PolarHBondContact O-OG 3.25Å; V234-L238 HydrophobicContact CG1-CD1 3.8Å; V234-L238 HydrophobicContact CG1-CG 4.22Å; V234-L238 PolarHBondContact O-N 2.72Å
235L96.4Very high97Very high0 Ų054.5 Ų54.50%028%0.281CS..Hα-helixtrans-58.8-40.2179.4-171.263000112.4A192 I195 C231 S237 L238 L239 I255 A262 V263A192-L235 HydrophobicContact CB-CD1 4.01Å; I195-L235 HydrophobicContact CG2-CB 4.25Å; C231-L235 WeakPolarHBondContact O-CB 3.38Å; C231-L235 PolarHBondContact O-N 3.06Å; L235-S237 VanDerWaalsContact C-N 3.27Å; L235-S237 PolarHBondContact O-N 2.99Å; L235-L238 PolarHBondContact O-N 2.71Å; L235-L239 HydrophobicContact CD1-CD1 3.91Å; L235-L239 HydrophobicContact CD1-CD2 4.18Å; L235-L239 HydrophobicContact CD1-CG 3.87Å; L235-L239 HydrophobicContact CD2-CD1 4.48Å; L235-L239 HydrophobicContact CG-CD1 3.84Å; L235-L239 HydrophobicContact CG-CG 4.19Å; L235-L239 WeakPolarHBondContact O-CG 3.42Å; L235-L239 PolarHBondContact O-N 2.91Å; L235-L239 VanDerWaalsContact O-N 3.09Å; L235-I255 HydrophobicContact CD1-CD1 3.79Å; L235-A262 HydrophobicContact CD2-CB 4.43Å; L235-V263 HydrophobicContact CD2-CG2 3.84Å; L235-V263 HydrophobicContact CG-CG2 4.44Å
236R96.4Very high97.1Very high130 Ų13052.9 Ų52.949%0.49126%0.262SS..Hα-helixtrans-60.9-35.1175.4-82.4171.2-171.4175.25.2112.9Q232 A233 V234 E264 Q268Q232-R236 WeakPolarHBondContact O-CG 3.45Å; Q232-R236 PolarHBondContact O-N 3.11Å; Q232-R236 VanDerWaalsContact O-N 3.1Å; A233-R236 PolarHBondContact O-N 3.06Å; V234-R236 VanDerWaalsContact C-N 3.3Å; V234-R236 PolarHBondContact O-N 3.16Å; R236-E264 IonicContact NH2-OE2 2.7Å; R236-Q268 PolarHBondContact O-NE2 3.1Å
237S95.8Very high97Very high94 Ų9450.4 Ų50.466%0.65725%0.247SC*.Hα-helixtrans-81.6-24.3-179.870.90000114A233 V234 L235A233-S237 PolarHBondContact O-N 3.06Å; V234-S237 PolarHBondContact O-N 2.88Å; V234-S237 PolarHBondContact O-OG 3.25Å; L235-S237 VanDerWaalsContact C-N 3.27Å; L235-S237 PolarHBondContact O-N 2.99Å
238L96.8Very high97.1Very high33 Ų3349 Ų4917%0.17324%0.24CC..Hα-helixtrans-82.9-53.3178.8-72.3174.3000111.4A192 I195 V234 L235 R241A192-L238 HydrophobicContact CB-CB 4.23Å; A192-L238 HydrophobicContact CB-CD1 4.12Å; I195-L238 HydrophobicContact CD1-CD1 3.73Å; V234-L238 HydrophobicContact CG1-CD1 3.8Å; V234-L238 HydrophobicContact CG1-CG 4.22Å; V234-L238 PolarHBondContact O-N 2.72Å; L235-L238 PolarHBondContact O-N 2.71Å; L238-R241 CarbonylContact C-O 3.37Å; L238-R241 WeakPolarHBondContact O-CA 3.35Å; L238-R241 WeakPolarHBondContact O-CB 3.46Å; L238-R241 PolarHBondContact O-N 2.64Å
239L98.4Very high97.1Very high13 Ų1348.5 Ų48.57%0.06824%0.238CC..THydrogen-bonded Turntrans-59.3137.4-169.7-66.2178.4000113A192 L235 L252 I255 V263 Q268 T272A192-L239 HydrophobicContact CB-CD2 4.17Å; L235-L239 HydrophobicContact CD1-CD1 3.91Å; L235-L239 HydrophobicContact CD1-CD2 4.18Å; L235-L239 HydrophobicContact CD1-CG 3.87Å; L235-L239 HydrophobicContact CD2-CD1 4.48Å; L235-L239 HydrophobicContact CG-CD1 3.84Å; L235-L239 HydrophobicContact CG-CG 4.19Å; L235-L239 WeakPolarHBondContact O-CG 3.42Å; L235-L239 PolarHBondContact O-N 2.91Å; L235-L239 VanDerWaalsContact O-N 3.09Å; L239-L252 HydrophobicContact CD2-CD1 4.24Å; L239-L252 HydrophobicContact CD2-CD2 3.5Å; L239-L252 VanDerWaalsContact CD2-CD2 3.5Å; L239-L252 HydrophobicContact CD2-CG 4.46Å; L239-I255 HydrophobicContact CD2-CD1 4.26Å; L239-V263 HydrophobicContact CD1-CG1 4.25Å; L239-V263 HydrophobicContact CD1-CG2 3.41Å; L239-V263 VanDerWaalsContact CD1-CG2 3.41Å; L239-Q268 HydrophobicContact CB-CG 3.83Å; L239-Q268 HydrophobicContact CD1-CG 4.05Å; L239-T272 HydrophobicContact CD2-CG2 4.3Å
240P98Very high97.2Very high37 Ų3742.7 Ų42.724%0.2421%0.211CC..THydrogen-bonded Turncis-90.511.813.638.9-40.1000115.1T248 L252 T272 T275P240-T248 PolarHBondContact O-OG1 3.48Å; P240-L252 VanDerWaalsContact O-CD1 3.23Å; P240-L252 WeakPolarHBondContact O-CD1 3.21Å; P240-T272 HydrophobicContact CB-CG2 4.27Å; P240-T275 HydrophobicContact CB-CG2 4.19Å; P240-T275 HydrophobicContact CG-CG2 4.21Å
241R98.4Very high97.2Very high99 Ų9938.4 Ų38.437%0.37419%0.191SC..  trans-78.1140.4176.6174.9-175.6-72.9-76.5-0.2110L238 S243 Y244 K246 E247L238-R241 CarbonylContact C-O 3.37Å; L238-R241 WeakPolarHBondContact O-CA 3.35Å; L238-R241 WeakPolarHBondContact O-CB 3.46Å; L238-R241 PolarHBondContact O-N 2.64Å; R241-S243 WeakPolarHBondContact CD-O 3.45Å; R241-S243 WeakPolarHBondContact CG-O 3.47Å; R241-S243 PolarHBondContact NH1-O 3.2Å; R241-Y244 PolarHBondContact NH1-O 2.85Å; R241-K246 VanDerWaalsContact CG-O 3.23Å; R241-K246 WeakPolarHBondContact CG-O 3.5Å; R241-E247 WeakPolarHBondContact CA-O 3.32Å
242E98.1Very high97.3Very high2 Ų238.4 Ų38.41%0.00919%0.191CC..  trans-80.3-44.7174.9173.157.2-16200111N191 A192 T193 K246 D249 L252N191-E242 CarbonylContact C-O 3.51Å; N191-E242 VanDerWaalsContact CB-OE1 3.26Å; N191-E242 WeakPolarHBondContact CB-OE1 3.49Å; A192-E242 WeakPolarHBondContact CB-O 3.27Å; A192-E242 PolarHBondContact N-O 2.99Å; A192-E242 PolarHBondContact N-OE1 2.89Å; T193-E242 WeakPolarHBondContact CB-OE1 3.49Å; T193-E242 WeakPolarHBondContact CG2-OE2 3.37Å; T193-E242 PolarHBondContact N-OE1 3.24Å; T193-E242 PolarHBondContact N-OE2 2.87Å; T193-E242 VanDerWaalsContact N-OE2 3.15Å; T193-E242 PolarHBondContact OG1-OE1 3.06Å; E242-K246 HydrophobicContact CB-CB 4Å; E242-K246 HydrophobicContact CG-CB 4.38Å; E242-K246 HydrophobicContact CG-CD 4.17Å; E242-K246 PolarHBondContact N-O 2.93Å; E242-K246 VanDerWaalsContact N-O 3.1Å; E242-D249 HydrophobicContact CB-CB 3.46Å; E242-D249 VanDerWaalsContact CB-CB 3.46Å; E242-D249 HydrophobicContact CG-CB 3.62Å; E242-L252 WeakPolarHBondContact OE2-CD2 3.45Å; E242-L252 WeakPolarHBondContact OE2-CG 3.3Å
243S97.3Very high97.3Very high0 Ų038.3 Ų38.30%019%0.19CC..SBendtrans-157.4177.9-176.570.10000111.5E189 L190 R241 S245 K246E189-S243 WeakPolarHBondContact OE1-CB 3.4Å; E189-S243 PolarHBondContact OE1-OG 3.07Å; E189-S243 PolarHBondContact OE2-OG 3.19Å; L190-S243 WeakPolarHBondContact O-CA 3.28Å; L190-S243 WeakPolarHBondContact O-CB 3.31Å; R241-S243 WeakPolarHBondContact CD-O 3.45Å; R241-S243 WeakPolarHBondContact CG-O 3.47Å; R241-S243 PolarHBondContact NH1-O 3.2Å; S243-S245 PolarHBondContact O-N 2.89Å; S243-S245 PolarHBondContact OG-N 3.25Å; S243-K246 PolarHBondContact N-O 3.25Å; S243-K246 PolarHBondContact O-N 3.24Å; S243-K246 VanDerWaalsContact O-O 3.09Å; S243-K246 WeakPolarHBondContact OG-CB 3.09Å; S243-K246 WeakPolarHBondContact OG-CG 3.33Å; S243-K246 PolarHBondContact OG-N 2.77Å
244Y95.5Very high97.4Very high214 Ų21435.8 Ų35.884%0.83917%0.17SC*.SBendtrans-51.5-46.6176.2179.4-100.3000112R241R241-Y244 PolarHBondContact NH1-O 2.85Å
245S95Very high97.4Very high26 Ų2634.3 Ų34.318%0.18216%0.161CC..SBendtrans-88.8-21-177.167.80000114.5K182 E189 S243K182-S245 WeakPolarHBondContact CB-OG 3.36Å; K182-S245 WeakPolarHBondContact CD-O 3.18Å; K182-S245 PolarHBondContact N-OG 3.28Å; E189-S245 PolarHBondContact OE1-OG 3.38Å; E189-S245 WeakPolarHBondContact OE2-CB 3.27Å; E189-S245 PolarHBondContact OE2-N 3.11Å; E189-S245 PolarHBondContact OE2-OG 3.23Å; S243-S245 PolarHBondContact O-N 2.89Å; S243-S245 PolarHBondContact OG-N 3.25Å
246K95.9Very high97.5Very high6 Ų634.6 Ų34.63%0.02616%0.162CC..  trans-108.3107.8-178.7-55.6-177.5-158.485.30111.7G180 K182 E189 N191 R241 E242 S243 T248 F289G180-K246 WeakPolarHBondContact O-CE 3.22Å; G180-K246 PolarHBondContact O-NZ 3.04Å; K182-K246 HydrophobicContact CB-CG 4.14Å; E189-K246 IonicContact OE1-NZ 2.9Å; E189-K246 PolarHBondContact OE1-NZ 3.14Å; N191-K246 PolarHBondContact OD1-NZ 2.95Å; R241-K246 VanDerWaalsContact CG-O 3.23Å; R241-K246 WeakPolarHBondContact CG-O 3.5Å; E242-K246 HydrophobicContact CB-CB 4Å; E242-K246 HydrophobicContact CG-CB 4.38Å; E242-K246 HydrophobicContact CG-CD 4.17Å; E242-K246 PolarHBondContact N-O 2.93Å; E242-K246 VanDerWaalsContact N-O 3.1Å; S243-K246 PolarHBondContact N-O 3.25Å; S243-K246 PolarHBondContact O-N 3.24Å; S243-K246 VanDerWaalsContact O-O 3.09Å; S243-K246 WeakPolarHBondContact OG-CB 3.09Å; S243-K246 WeakPolarHBondContact OG-CG 3.33Å; S243-K246 PolarHBondContact OG-N 2.77Å; K246-T248 PolarHBondContact O-N 2.95Å; K246-F289 HydrophobicContact CD-CB 4.39Å; K246-F289 HydrophobicContact CD-CD1 3.87Å; K246-F289 HydrophobicContact CD-CD2 4.38Å; K246-F289 HydrophobicContact CD-CE1 4.22Å; K246-F289 HydrophobicContact CD-CG 3.95Å; K246-F289 HydrophobicContact CG-CD2 4.39Å; K246-F289 HydrophobicContact CG-CG 4.32Å
247E96.2Very high97.6Very high63 Ų6328.7 Ų28.729%0.29414%0.141SC..SBendtrans-66.1-22.3-173.8-53.787.5162.800114K182 R241K182-E247 IonicContact NZ-OE1 2.87Å; K182-E247 PolarHBondContact NZ-OE1 2.86Å; K182-E247 IonicContact NZ-OE2 3.81Å; K182-E247 PolarHBondContact NZ-OE2 3.06Å; R241-E247 WeakPolarHBondContact CA-O 3.32Å
248T98Very high97.7Very high0 Ų024.4 Ų24.40%011%0.11CC..  trans-167.5163.6168.8-166.20000107.7P240 K246 T275 K279 L280 F289P240-T248 PolarHBondContact O-OG1 3.48Å; K246-T248 PolarHBondContact O-N 2.95Å; T248-T275 HydrophobicContact CG2-CG2 4.13Å; T248-K279 HydrophobicContact CG2-CB 4.24Å; T248-K279 HydrophobicContact CG2-CD 3.99Å; T248-L280 HydrophobicContact CG2-CD1 3.93Å; T248-L280 HydrophobicContact CG2-CD2 4.27Å; T248-L280 HydrophobicContact CG2-CG 4.02Å; T248-F289 WeakPolarHBondContact O-CB 3.49Å
249D98.3Very high97.7Very high1 Ų123.2 Ų23.21%0.00511%0.105CC..  trans-147.8139.5178.5-167.4-67.1000109.6W177 E242 G251 L252 R288 F289W177-D249 VanDerWaalsContact NE1-CG 3.29Å; W177-D249 PolarHBondContact NE1-OD1 2.95Å; W177-D249 PolarHBondContact NE1-OD2 3.23Å; E242-D249 HydrophobicContact CB-CB 3.46Å; E242-D249 VanDerWaalsContact CB-CB 3.46Å; E242-D249 HydrophobicContact CG-CB 3.62Å; D249-G251 PolarHBondContact O-N 3.41Å; D249-G251 WeakPolarHBondContact OD1-CA 3.23Å; D249-G251 PolarHBondContact OD1-N 2.89Å; D249-L252 HydrophobicContact CB-CG 4.43Å; D249-L252 WeakPolarHBondContact O-CB 3.08Å; D249-L252 WeakPolarHBondContact O-CD1 3.32Å; D249-L252 VanDerWaalsContact O-CG 3.31Å; D249-L252 WeakPolarHBondContact O-CG 3.18Å; D249-L252 PolarHBondContact O-N 3.27Å; D249-L252 VanDerWaalsContact O-N 3.14Å; D249-R288 CarbonylContact C-O 3.58Å; D249-R288 VanDerWaalsContact CA-O 3.26Å; D249-R288 WeakPolarHBondContact CA-O 3.5Å; D249-R288 VanDerWaalsContact CG-O 3.31Å; D249-F289 VanDerWaalsContact OD2-CD1 3.3Å; D249-F289 WeakPolarHBondContact OD2-CD1 3.29Å
250A98.6Very high97.7Very high0 Ų022.6 Ų22.60%010%0.101CC..G310 helixtrans-68.8-21.7179.500000112.4L252 L253 I276 L280 C286 R287 R288 F324A250-L252 PolarHBondContact O-N 3.4Å; A250-L253 VanDerWaalsContact O-CB 3.31Å; A250-L253 WeakPolarHBondContact O-CB 3.3Å; A250-L253 WeakPolarHBondContact O-CD1 3.34Å; A250-L253 VanDerWaalsContact O-CG 3.28Å; A250-L253 WeakPolarHBondContact O-CG 3.29Å; A250-L253 PolarHBondContact O-N 2.99Å; A250-L253 VanDerWaalsContact O-N 3.11Å; A250-I276 HydrophobicContact CB-CG2 4.15Å; A250-L280 HydrophobicContact CB-CD1 3.91Å; A250-L280 VanDerWaalsContact N-CD1 3.31Å; A250-C286 HydrophobicContact CB-CB 3.89Å; A250-R287 WeakPolarHBondContact CB-O 3.33Å; A250-R288 PolarHBondContact N-O 2.89Å; A250-F324 HydrophobicContact CB-CB 4.45Å; A250-F324 HydrophobicContact CB-CD1 3.52Å; A250-F324 HydrophobicContact CB-CD2 3.7Å; A250-F324 HydrophobicContact CB-CE1 3.47Å; A250-F324 VanDerWaalsContact CB-CE1 3.47Å; A250-F324 HydrophobicContact CB-CE2 3.64Å; A250-F324 HydrophobicContact CB-CG 3.62Å; A250-F324 HydrophobicContact CB-CZ 3.51Å; A250-F324 WeakPolarHBondContact O-CD1 3.29Å; A250-F324 WeakPolarHBondContact O-CE1 3.14Å
251G98.2Very high97.7Very high1 Ų121.6 Ų21.61%0.019%0.093CC..G310 helixtrans-58.9-23.7169.800000113.4T193 D249 L253 S254T193-G251 VanDerWaalsContact CG2-C 3.45Å; D249-G251 PolarHBondContact O-N 3.41Å; D249-G251 WeakPolarHBondContact OD1-CA 3.23Å; D249-G251 PolarHBondContact OD1-N 2.89Å; G251-L253 PolarHBondContact O-N 3.43Å; G251-S254 WeakPolarHBondContact O-CB 3.39Å; G251-S254 PolarHBondContact O-N 2.83Å; G251-S254 PolarHBondContact O-OG 2.73Å
252L98.8Very high97.7Very high0 Ų016.9 Ų16.90%08%0.075CC..G310 helixtrans-57.4-22173.1-70.4172.3000113.1A192 T193 L239 P240 E242 D249 A250 S254 I255 I256 T272 I276A192-L252 HydrophobicContact CB-CD2 3.84Å; T193-L252 HydrophobicContact CG2-CD2 4.33Å; L239-L252 HydrophobicContact CD2-CD1 4.24Å; L239-L252 HydrophobicContact CD2-CD2 3.5Å; L239-L252 VanDerWaalsContact CD2-CD2 3.5Å; L239-L252 HydrophobicContact CD2-CG 4.46Å; P240-L252 VanDerWaalsContact O-CD1 3.23Å; P240-L252 WeakPolarHBondContact O-CD1 3.21Å; E242-L252 WeakPolarHBondContact OE2-CD2 3.45Å; E242-L252 WeakPolarHBondContact OE2-CG 3.3Å; D249-L252 HydrophobicContact CB-CG 4.43Å; D249-L252 WeakPolarHBondContact O-CB 3.08Å; D249-L252 WeakPolarHBondContact O-CD1 3.32Å; D249-L252 VanDerWaalsContact O-CG 3.31Å; D249-L252 WeakPolarHBondContact O-CG 3.18Å; D249-L252 PolarHBondContact O-N 3.27Å; D249-L252 VanDerWaalsContact O-N 3.14Å; A250-L252 PolarHBondContact O-N 3.4Å; L252-S254 PolarHBondContact O-N 3.23Å; L252-I255 HydrophobicContact CD2-CD1 3.69Å; L252-I255 HydrophobicContact CD2-CG1 4.18Å; L252-I255 WeakPolarHBondContact O-CG1 3.41Å; L252-I255 PolarHBondContact O-N 3.46Å; L252-I256 PolarHBondContact O-N 3.07Å; L252-I256 VanDerWaalsContact O-N 3.09Å; L252-T272 HydrophobicContact CB-CG2 4.09Å; L252-T272 HydrophobicContact CD1-CG2 3.97Å; L252-I276 HydrophobicContact CB-CD1 3.71Å
253L98.7Very high97.7Very high1 Ų116.8 Ų16.81%0.0058%0.075CC..Hα-helixtrans-56.6-32.5172.1-68.7170.5000112.3A250 G251 I255 I256 S257 I276 F324 Y327 L328A250-L253 VanDerWaalsContact O-CB 3.31Å; A250-L253 WeakPolarHBondContact O-CB 3.3Å; A250-L253 WeakPolarHBondContact O-CD1 3.34Å; A250-L253 VanDerWaalsContact O-CG 3.28Å; A250-L253 WeakPolarHBondContact O-CG 3.29Å; A250-L253 PolarHBondContact O-N 2.99Å; A250-L253 VanDerWaalsContact O-N 3.11Å; G251-L253 PolarHBondContact O-N 3.43Å; L253-I255 PolarHBondContact O-N 3.23Å; L253-I256 HydrophobicContact CD2-CD1 4.23Å; L253-S257 WeakPolarHBondContact O-CB 3.45Å; L253-S257 PolarHBondContact O-N 2.99Å; L253-I276 HydrophobicContact CD1-CG2 4.34Å; L253-I276 HydrophobicContact CD2-CD1 4.1Å; L253-I276 HydrophobicContact CG-CD1 4.02Å; L253-I276 HydrophobicContact CG-CG2 4.4Å; L253-F324 HydrophobicContact CD1-CB 4.15Å; L253-F324 HydrophobicContact CD1-CD1 4.14Å; L253-Y327 HydrophobicContact CB-CD1 4.28Å; L253-Y327 HydrophobicContact CB-CG 4.11Å; L253-L328 HydrophobicContact CD1-CD1 4.43Å; L253-L328 HydrophobicContact CD1-CD2 4.16Å; L253-L328 HydrophobicContact CD1-CG 3.88Å; L253-L328 HydrophobicContact CD2-CD2 3.78Å; L253-L328 HydrophobicContact CD2-CG 4.39Å
254S98.3Very high97.5Very high1 Ų120.2 Ų20.21%0.0079%0.091CC..Hα-helixtrans-71.7-14.9179.376.50000113.6G251 L252 A260G251-S254 WeakPolarHBondContact O-CB 3.39Å; G251-S254 PolarHBondContact O-N 2.83Å; G251-S254 PolarHBondContact O-OG 2.73Å; L252-S254 PolarHBondContact O-N 3.23Å; S254-A260 WeakPolarHBondContact O-CB 3.48Å; S254-A260 PolarHBondContact O-N 3.34Å
255I98.5Very high97.4Very high0 Ų013.7 Ų13.70%07%0.071CC..Hα-helixtrans-107.5-31.8-179.969.1167.8000114.1A192 T193 M197 L235 L239 L252 L253 S257 A262A192-I255 VanDerWaalsContact O-CD1 3.32Å; A192-I255 WeakPolarHBondContact O-CD1 3.35Å; T193-I255 WeakPolarHBondContact O-CG2 3.11Å; M197-I255 HydrophobicContact CB-CG2 4.45Å; M197-I255 HydrophobicContact CE-CG2 4.45Å; L235-I255 HydrophobicContact CD1-CD1 3.79Å; L239-I255 HydrophobicContact CD2-CD1 4.26Å; L252-I255 HydrophobicContact CD2-CD1 3.69Å; L252-I255 HydrophobicContact CD2-CG1 4.18Å; L252-I255 WeakPolarHBondContact O-CG1 3.41Å; L252-I255 PolarHBondContact O-N 3.46Å; L253-I255 PolarHBondContact O-N 3.23Å; I255-S257 VanDerWaalsContact C-N 3.3Å; I255-A262 HydrophobicContact CB-CB 4.35Å; I255-A262 WeakPolarHBondContact O-CB 3.42Å; I255-A262 PolarHBondContact O-N 2.99Å
256I98.3Very high97.4Very high6 Ų616.9 Ų16.93%0.0319%0.085CC..Hα-helixtrans-82.3-13175.571.1174.6000112.6L252 L253 V263 I269 T272 R273L252-I256 PolarHBondContact O-N 3.07Å; L252-I256 VanDerWaalsContact O-N 3.09Å; L253-I256 HydrophobicContact CD2-CD1 4.23Å; I256-V263 HydrophobicContact CG2-CG2 4.01Å; I256-I269 HydrophobicContact CB-CG2 4.3Å; I256-T272 HydrophobicContact CD1-CG2 4.14Å; I256-T272 HydrophobicContact CG2-CG2 3.88Å; I256-R273 HydrophobicContact CD1-CB 3.87Å
257S97.9Very high97.4Very high5 Ų520.2 Ų20.24%0.03511%0.109CC..SBendtrans-142.5-152.9-176.8-160.30000110.2L253 I255 A260 F261 D331L253-S257 WeakPolarHBondContact O-CB 3.45Å; L253-S257 PolarHBondContact O-N 2.99Å; I255-S257 VanDerWaalsContact C-N 3.3Å; S257-A260 PolarHBondContact O-N 2.82Å; S257-A260 VanDerWaalsContact O-N 3.07Å; S257-F261 PolarHBondContact O-N 3.33Å; S257-D331 WeakPolarHBondContact CB-OD1 3.45Å; S257-D331 WeakPolarHBondContact OG-CB 3.39Å; S257-D331 PolarHBondContact OG-OD1 2.97Å
258Y98.3Very high97.4Very high5 Ų518.4 Ų18.42%0.0210%0.101CC..THydrogen-bonded Turntrans-59134.1177.8-176.1-94.1000111.9H45 F261 Y327 I330 F334 L399 L402 L416H45-Y258 VanDerWaalsContact CG-OH 3.32Å; H45-Y258 AromaticContact ND1-CE1 3.64Å; H45-Y258 AromaticContact ND1-CZ 3.66Å; H45-Y258 PolarHBondContact ND1-OH 3.03Å; Y258-F261 HydrophobicContact CD2-CE2 4.22Å; Y258-F261 HydrophobicContact CD2-CZ 4.37Å; Y258-Y327 WeakPolarHBondContact O-CE1 3.2Å; Y258-I330 HydrophobicContact CD1-CG2 4.28Å; Y258-I330 HydrophobicContact CG-CG2 4Å; Y258-F334 AromaticContact CD2-CE2 3.64Å; Y258-F334 HydrophobicContact CD2-CE2 3.64Å; Y258-F334 AromaticContact CD2-CZ 3.74Å; Y258-F334 HydrophobicContact CD2-CZ 3.74Å; Y258-F334 HydrophobicContact CE2-CZ 4.46Å; Y258-F334 AromaticContact CG-CE2 3.97Å; Y258-F334 HydrophobicContact CG-CE2 3.97Å; Y258-L399 HydrophobicContact CD1-CD2 4.22Å; Y258-L399 HydrophobicContact CE1-CD2 3.99Å; Y258-L402 HydrophobicContact CE1-CD2 3.65Å; Y258-L402 HydrophobicContact CE2-CD2 4.5Å; Y258-L402 WeakPolarHBondContact OH-CD2 3.26Å; Y258-L416 HydrophobicContact CE2-CB 4.29Å
259P98Very high97.4Very high8 Ų818.8 Ų18.85%0.05210%0.103CC..THydrogen-bonded Turncis-94.1-11.94.435.6-35.5000115Y42 L133 L136 M197 F261Y42-P259 HydrophobicContact CE1-CG 4.44Å; L133-P259 HydrophobicContact CD1-CG 3.66Å; L136-P259 HydrophobicContact CD2-CB 4.33Å; L136-P259 HydrophobicContact CD2-CG 4.33Å; M197-P259 HydrophobicContact CE-CG 4.21Å; P259-F261 WeakPolarHBondContact O-CD2 3.45Å
260A98.3Very high97.4Very high0 Ų022.5 Ų22.50%012%0.123CC..THydrogen-bonded Turntrans-87.5-37.5-162.200000114.6L136 M197 A200 S254 S257 A262 R421L136-A260 HydrophobicContact CD2-CB 4.12Å; M197-A260 HydrophobicContact CE-CB 4.01Å; M197-A260 HydrophobicContact SD-CB 3.86Å; A200-A260 HydrophobicContact CB-CB 3.63Å; A200-A260 WeakPolarHBondContact CB-O 3.45Å; S254-A260 WeakPolarHBondContact O-CB 3.48Å; S254-A260 PolarHBondContact O-N 3.34Å; S257-A260 PolarHBondContact O-N 2.82Å; S257-A260 VanDerWaalsContact O-N 3.07Å; A260-A262 HydrophobicContact CB-CB 4.33Å; A260-A262 PolarHBondContact O-N 3.36Å; A260-A262 VanDerWaalsContact O-N 3.16Å; A260-R421 VanDerWaalsContact O-CZ 3.32Å; A260-R421 PolarHBondContact O-NE 2.92Å; A260-R421 PolarHBondContact O-NH2 3.5Å
261F97.9Very high97.4Very high15 Ų1525.8 Ų25.87%0.06614%0.143CC..  trans45.245.7-174.3-52.5-80.4000112.4S257 Y258 P259 F334 R421 R422 S424S257-F261 PolarHBondContact O-N 3.33Å; Y258-F261 HydrophobicContact CD2-CE2 4.22Å; Y258-F261 HydrophobicContact CD2-CZ 4.37Å; P259-F261 WeakPolarHBondContact O-CD2 3.45Å; F261-F334 HydrophobicContact CE1-CB 4.35Å; F261-F334 HydrophobicContact CE1-CD1 4.05Å; F261-F334 HydrophobicContact CE1-CD2 4.5Å; F261-F334 HydrophobicContact CE1-CE1 4.49Å; F261-F334 HydrophobicContact CE1-CG 4.06Å; F261-F334 HydrophobicContact CE2-CE1 4.22Å; F261-F334 HydrophobicContact CE2-CZ 4.35Å; F261-F334 AromaticContact CZ-CD1 3.6Å; F261-F334 HydrophobicContact CZ-CD1 3.6Å; F261-F334 AromaticContact CZ-CD2 3.98Å; F261-F334 HydrophobicContact CZ-CD2 3.98Å; F261-F334 AromaticContact CZ-CE1 3.61Å; F261-F334 HydrophobicContact CZ-CE1 3.61Å; F261-F334 AromaticContact CZ-CE2 4Å; F261-F334 HydrophobicContact CZ-CE2 4Å; F261-F334 AromaticContact CZ-CG 3.79Å; F261-F334 HydrophobicContact CZ-CG 3.79Å; F261-F334 AromaticContact CZ-CZ 3.82Å; F261-F334 HydrophobicContact CZ-CZ 3.82Å; F261-R421 HydrophobicContact CB-CB 4.08Å; F261-R421 WeakPolarHBondContact CB-O 3.19Å; F261-R421 HydrophobicContact CD2-CB 4.06Å; F261-R421 HydrophobicContact CG-CB 4.49Å; F261-R422 HydrophobicContact CD1-CB 3.97Å; F261-R422 HydrophobicContact CD2-CB 4.26Å; F261-R422 HydrophobicContact CE1-CB 3.88Å; F261-R422 HydrophobicContact CE2-CB 4.18Å; F261-R422 HydrophobicContact CG-CB 4.16Å; F261-R422 HydrophobicContact CZ-CB 3.99Å; F261-S424 PolarHBondContact O-OG 2.82Å
262A97.8Very high97.4Very high0 Ų025.7 Ų25.70%014%0.142CC..  trans-79.3-23.3-168.100000113.5G196 K199 A200 L235 I255 A260G196-A262 WeakPolarHBondContact O-CB 3.37Å; K199-A262 WeakPolarHBondContact CD-O 3.41Å; K199-A262 PolarHBondContact NZ-O 3.49Å; A200-A262 HydrophobicContact CB-CB 4.25Å; L235-A262 HydrophobicContact CD2-CB 4.43Å; I255-A262 HydrophobicContact CB-CB 4.35Å; I255-A262 WeakPolarHBondContact O-CB 3.42Å; I255-A262 PolarHBondContact O-N 2.99Å; A260-A262 HydrophobicContact CB-CB 4.33Å; A260-A262 PolarHBondContact O-N 3.36Å; A260-A262 VanDerWaalsContact O-N 3.16Å
263V97.2Very high97.4Very high1 Ų127.5 Ų27.51%0.00615%0.149CC..  trans-95.4130.5-178.1-173.20000109.4L235 L239 I256 Q268 I269L235-V263 HydrophobicContact CD2-CG2 3.84Å; L235-V263 HydrophobicContact CG-CG2 4.44Å; L239-V263 HydrophobicContact CD1-CG1 4.25Å; L239-V263 HydrophobicContact CD1-CG2 3.41Å; L239-V263 VanDerWaalsContact CD1-CG2 3.41Å; I256-V263 HydrophobicContact CG2-CG2 4.01Å; V263-Q268 HydrophobicContact CG1-CB 4.24Å; V263-Q268 HydrophobicContact CG1-CG 4.21Å; V263-I269 HydrophobicContact CB-CD1 4.31Å; V263-I269 HydrophobicContact CB-CG1 3.76Å; V263-I269 HydrophobicContact CG1-CD1 4.4Å; V263-I269 HydrophobicContact CG1-CG1 3.67Å; V263-I269 VanDerWaalsContact O-CD1 3.27Å; V263-I269 WeakPolarHBondContact O-CD1 3.22Å
264E93.1Very high97.4Very high71 Ų7129.5 Ų29.533%0.33217%0.166SC..  trans-98.3-26.3-177-65.2162-161.200112.9K199 Q232 R236 L266K199-E264 IonicContact NZ-OE1 3.74Å; K199-E264 PolarHBondContact NZ-OE1 3.46Å; Q232-E264 PolarHBondContact OE1-OE1 2.92Å; R236-E264 IonicContact NH2-OE2 2.7Å; E264-L266 PolarHBondContact O-N 3.25Å
265D94.3Very high97.4Very high77 Ų7730.6 Ų30.641%0.41217%0.172SC..  trans-80.9110.4179.9176.913.2000110.9S267 Q268 I269D265-S267 PolarHBondContact O-N 3.44Å; D265-S267 WeakPolarHBondContact OD1-CB 3.49Å; D265-S267 PolarHBondContact OD1-N 3.03Å; D265-Q268 HydrophobicContact CB-CB 4.01Å; D265-Q268 PolarHBondContact O-N 2.74Å; D265-Q268 VanDerWaalsContact O-N 3.12Å; D265-I269 WeakPolarHBondContact O-CG1 3.5Å; D265-I269 PolarHBondContact O-N 3.3Å
266L94.3Very high97.4Very high94 Ų9430.6 Ų30.649%0.49217%0.172SC..Hα-helixtrans-58-34.1178.5-173.961.9000112.9E264 N270E264-L266 PolarHBondContact O-N 3.25Å; L266-N270 WeakPolarHBondContact O-CB 3.18Å; L266-N270 PolarHBondContact O-N 3.09Å; L266-N270 PolarHBondContact O-ND2 3.36Å; L266-N270 VanDerWaalsContact O-ND2 3.14Å
267S96.3Very high97.4Very high76 Ų7631.7 Ų31.753%0.53118%0.179SC..Hα-helixtrans-64.9-45177.1-175.70000111D265 N270 T271D265-S267 PolarHBondContact O-N 3.44Å; D265-S267 WeakPolarHBondContact OD1-CB 3.49Å; D265-S267 PolarHBondContact OD1-N 3.03Å; S267-N270 PolarHBondContact O-N 3.3Å; S267-T271 WeakPolarHBondContact O-CB 3.48Å; S267-T271 PolarHBondContact O-N 2.88Å; S267-T271 PolarHBondContact O-OG1 2.84Å
268Q96.4Very high97.4Very high24 Ų2437.8 Ų37.811%0.11221%0.212CC..Hα-helixtrans-65.4-45.1176.6-173.7161.563.900111.5R236 L239 V263 D265 N270 T271 T272R236-Q268 PolarHBondContact O-NE2 3.1Å; L239-Q268 HydrophobicContact CB-CG 3.83Å; L239-Q268 HydrophobicContact CD1-CG 4.05Å; V263-Q268 HydrophobicContact CG1-CB 4.24Å; V263-Q268 HydrophobicContact CG1-CG 4.21Å; D265-Q268 HydrophobicContact CB-CB 4.01Å; D265-Q268 PolarHBondContact O-N 2.74Å; D265-Q268 VanDerWaalsContact O-N 3.12Å; Q268-N270 VanDerWaalsContact C-N 3.33Å; Q268-N270 PolarHBondContact O-N 2.86Å; Q268-T271 PolarHBondContact O-N 3.27Å; Q268-T272 WeakPolarHBondContact O-CB 3.39Å; Q268-T272 PolarHBondContact O-N 2.87Å; Q268-T272 PolarHBondContact O-OG1 3.41Å
269I97.9Very high97.4Very high9 Ų941.9 Ų41.95%0.04623%0.23CC..Hα-helixtrans-54.6-49.2175-68167.6000111I256 V263 D265 T272 R273 T425I256-I269 HydrophobicContact CB-CG2 4.3Å; V263-I269 HydrophobicContact CB-CD1 4.31Å; V263-I269 HydrophobicContact CB-CG1 3.76Å; V263-I269 HydrophobicContact CG1-CD1 4.4Å; V263-I269 HydrophobicContact CG1-CG1 3.67Å; V263-I269 VanDerWaalsContact O-CD1 3.27Å; V263-I269 WeakPolarHBondContact O-CD1 3.22Å; D265-I269 WeakPolarHBondContact O-CG1 3.5Å; D265-I269 PolarHBondContact O-N 3.3Å; I269-T272 PolarHBondContact O-N 3.4Å; I269-R273 WeakPolarHBondContact O-CB 3.42Å; I269-R273 PolarHBondContact O-N 3.35Å; I269-T425 HydrophobicContact CD1-CG2 3.52Å
270N97.8Very high97.4Very high78 Ų7841.5 Ų41.542%0.41723%0.227SC..Hα-helixtrans-66.6-41.5-179-71.6-26.5000112.2L266 S267 Q268 R273 A274L266-N270 WeakPolarHBondContact O-CB 3.18Å; L266-N270 PolarHBondContact O-N 3.09Å; L266-N270 PolarHBondContact O-ND2 3.36Å; L266-N270 VanDerWaalsContact O-ND2 3.14Å; S267-N270 PolarHBondContact O-N 3.3Å; Q268-N270 VanDerWaalsContact C-N 3.33Å; Q268-N270 PolarHBondContact O-N 2.86Å; N270-R273 PolarHBondContact O-N 3.22Å; N270-R273 PolarHBondContact OD1-NH1 2.93Å; N270-R273 VanDerWaalsContact OD1-NH1 3.08Å; N270-A274 VanDerWaalsContact O-CB 3.29Å; N270-A274 WeakPolarHBondContact O-CB 3.23Å; N270-A274 PolarHBondContact O-N 3.23Å
271T98.3Very high97.4Very high69 Ų6943.4 Ų43.442%0.42324%0.236SC..Hα-helixtrans-63-43.6176.4-59.50000111.4S267 Q268 T275S267-T271 WeakPolarHBondContact O-CB 3.48Å; S267-T271 PolarHBondContact O-N 2.88Å; S267-T271 PolarHBondContact O-OG1 2.84Å; Q268-T271 PolarHBondContact O-N 3.27Å; T271-T275 WeakPolarHBondContact O-CB 3.36Å; T271-T275 PolarHBondContact O-N 3.12Å; T271-T275 PolarHBondContact O-OG1 3.06Å
272T98.6Very high97.3Very high0 Ų043.2 Ų43.20%024%0.238CC..Hα-helixtrans-64-48.7176.6-61.50000111.4L239 P240 L252 I256 Q268 I269 A274 T275 I276L239-T272 HydrophobicContact CD2-CG2 4.3Å; P240-T272 HydrophobicContact CB-CG2 4.27Å; L252-T272 HydrophobicContact CB-CG2 4.09Å; L252-T272 HydrophobicContact CD1-CG2 3.97Å; I256-T272 HydrophobicContact CD1-CG2 4.14Å; I256-T272 HydrophobicContact CG2-CG2 3.88Å; Q268-T272 WeakPolarHBondContact O-CB 3.39Å; Q268-T272 PolarHBondContact O-N 2.87Å; Q268-T272 PolarHBondContact O-OG1 3.41Å; I269-T272 PolarHBondContact O-N 3.4Å; T272-A274 PolarHBondContact O-N 3.05Å; T272-T275 PolarHBondContact O-N 2.92Å; T272-I276 HydrophobicContact CG2-CD1 3.98Å; T272-I276 VanDerWaalsContact O-CG1 3.3Å; T272-I276 WeakPolarHBondContact O-CG1 3.39Å; T272-I276 PolarHBondContact O-N 3.47Å
273R98.4Very high97.2Very high37 Ų3747.6 Ų47.614%0.1426%0.255CS..Hα-helixtrans-58.2-47.7176.6-172.4-174.5-67.195.72.3112I256 I269 N270 T275 I276 V277 D331I256-R273 HydrophobicContact CD1-CB 3.87Å; I269-R273 WeakPolarHBondContact O-CB 3.42Å; I269-R273 PolarHBondContact O-N 3.35Å; N270-R273 PolarHBondContact O-N 3.22Å; N270-R273 PolarHBondContact OD1-NH1 2.93Å; N270-R273 VanDerWaalsContact OD1-NH1 3.08Å; R273-T275 VanDerWaalsContact C-N 3.35Å; R273-T275 PolarHBondContact O-N 3.21Å; R273-I276 PolarHBondContact O-N 3.26Å; R273-V277 WeakPolarHBondContact O-CG2 3.24Å; R273-V277 PolarHBondContact O-N 3.2Å; R273-D331 IonicContact CZ-OD1 2.81Å; R273-D331 IonicContact CZ-OD2 2.9Å; R273-D331 IonicContact NE-OD1 2.7Å; R273-D331 IonicContact NE-OD2 3.96Å; R273-D331 PolarHBondContact NE-OD2 2.97Å; R273-D331 IonicContact NH2-OD1 3.68Å; R273-D331 PolarHBondContact NH2-OD1 3.35Å; R273-D331 IonicContact NH2-OD2 3.78Å; R273-D331 PolarHBondContact NH2-OD2 3.36Å
274A98.5Very high97.2Very high44 Ų4449.3 Ų49.336%0.36426%0.261SS..Hα-helixtrans-60.5-45.417800000111.2N270 T272 I276 V277 D278N270-A274 VanDerWaalsContact O-CB 3.29Å; N270-A274 WeakPolarHBondContact O-CB 3.23Å; N270-A274 PolarHBondContact O-N 3.23Å; T272-A274 PolarHBondContact O-N 3.05Å; A274-I276 VanDerWaalsContact C-N 3.33Å; A274-I276 PolarHBondContact O-N 3.33Å; A274-V277 PolarHBondContact O-N 3.16Å; A274-D278 VanDerWaalsContact O-CB 3.29Å; A274-D278 WeakPolarHBondContact O-CB 3.3Å; A274-D278 PolarHBondContact O-N 2.98Å
275T98.7Very high97.4Very high23 Ų2346 Ų4614%0.14125%0.245CC..Hα-helixtrans-59.5-42.4178.1-58.60000112.2P240 T248 T271 T272 R273 K279P240-T275 HydrophobicContact CB-CG2 4.19Å; P240-T275 HydrophobicContact CG-CG2 4.21Å; T248-T275 HydrophobicContact CG2-CG2 4.13Å; T271-T275 WeakPolarHBondContact O-CB 3.36Å; T271-T275 PolarHBondContact O-N 3.12Å; T271-T275 PolarHBondContact O-OG1 3.06Å; T272-T275 PolarHBondContact O-N 2.92Å; R273-T275 VanDerWaalsContact C-N 3.35Å; R273-T275 PolarHBondContact O-N 3.21Å; T275-K279 HydrophobicContact CG2-CD 3.88Å; T275-K279 HydrophobicContact CG2-CG 4.48Å; T275-K279 VanDerWaalsContact O-CB 3.25Å; T275-K279 WeakPolarHBondContact O-CB 3.44Å; T275-K279 WeakPolarHBondContact O-CG 3.22Å; T275-K279 PolarHBondContact O-N 2.79Å
276I98.8Very high97.6Very high0 Ų042.3 Ų42.30%023%0.226CC..Hα-helixtrans-63.5-50.1176.8-66.8164.1000110.1A250 L252 L253 T272 R273 A274 L280A250-I276 HydrophobicContact CB-CG2 4.15Å; L252-I276 HydrophobicContact CB-CD1 3.71Å; L253-I276 HydrophobicContact CD1-CG2 4.34Å; L253-I276 HydrophobicContact CD2-CD1 4.1Å; L253-I276 HydrophobicContact CG-CD1 4.02Å; L253-I276 HydrophobicContact CG-CG2 4.4Å; T272-I276 HydrophobicContact CG2-CD1 3.98Å; T272-I276 VanDerWaalsContact O-CG1 3.3Å; T272-I276 WeakPolarHBondContact O-CG1 3.39Å; T272-I276 PolarHBondContact O-N 3.47Å; R273-I276 PolarHBondContact O-N 3.26Å; A274-I276 VanDerWaalsContact C-N 3.33Å; A274-I276 PolarHBondContact O-N 3.33Å; I276-L280 HydrophobicContact CG2-CD1 4.4Å; I276-L280 WeakPolarHBondContact O-CA 3.3Å; I276-L280 VanDerWaalsContact O-CB 3.26Å; I276-L280 WeakPolarHBondContact O-CB 3.42Å; I276-L280 PolarHBondContact O-N 2.68Å
277V98.5Very high97.8Very high29 Ų2938.8 Ų38.818%0.17621%0.206CC..Hα-helixtrans-62.4-48.2-178.3169.60000110.9R273 A274 K279 Q281 L328R273-V277 WeakPolarHBondContact O-CG2 3.24Å; R273-V277 PolarHBondContact O-N 3.2Å; A274-V277 PolarHBondContact O-N 3.16Å; V277-K279 PolarHBondContact O-N 2.84Å; V277-Q281 HydrophobicContact CG1-CB 4.43Å; V277-Q281 WeakPolarHBondContact O-CB 3.35Å; V277-Q281 PolarHBondContact O-N 3.25Å; V277-L328 HydrophobicContact CG2-CD1 4.44Å; V277-L328 HydrophobicContact CG2-CD2 4.15Å
278D98.2Very high97.9Very high134 Ų13435.6 Ų35.672%0.71718%0.182SC*.Hα-helixtrans-67.7-35.3-175.5-67.6-14.5000112.5A274A274-D278 VanDerWaalsContact O-CB 3.29Å; A274-D278 WeakPolarHBondContact O-CB 3.3Å; A274-D278 PolarHBondContact O-N 2.98Å
279K97.8Very high97.9Very high91 Ų9134.8 Ų34.840%0.39618%0.178SC..Hα-helixtrans-95.9-33.6-175.4-64.8-173.6177.4-177.50113.8T248 T275 V277 R287 L290T248-K279 HydrophobicContact CG2-CB 4.24Å; T248-K279 HydrophobicContact CG2-CD 3.99Å; T275-K279 HydrophobicContact CG2-CD 3.88Å; T275-K279 HydrophobicContact CG2-CG 4.48Å; T275-K279 VanDerWaalsContact O-CB 3.25Å; T275-K279 WeakPolarHBondContact O-CB 3.44Å; T275-K279 WeakPolarHBondContact O-CG 3.22Å; T275-K279 PolarHBondContact O-N 2.79Å; V277-K279 PolarHBondContact O-N 2.84Å; K279-R287 PolarHBondContact O-NH2 3.38Å; K279-L290 HydrophobicContact CD-CD1 4.44Å
280L98.2Very high97.8Very high0 Ų036.3 Ų36.30%019%0.186CC..Hα-helixtrans-114.3-22.4-166.4-55.5-178.7000113.9T248 A250 I276 G282 C286 R287 R288 L290T248-L280 HydrophobicContact CG2-CD1 3.93Å; T248-L280 HydrophobicContact CG2-CD2 4.27Å; T248-L280 HydrophobicContact CG2-CG 4.02Å; A250-L280 HydrophobicContact CB-CD1 3.91Å; A250-L280 VanDerWaalsContact N-CD1 3.31Å; I276-L280 HydrophobicContact CG2-CD1 4.4Å; I276-L280 WeakPolarHBondContact O-CA 3.3Å; I276-L280 VanDerWaalsContact O-CB 3.26Å; I276-L280 WeakPolarHBondContact O-CB 3.42Å; I276-L280 PolarHBondContact O-N 2.68Å; L280-G282 PolarHBondContact O-N 3.08Å; L280-C286 HydrophobicContact CB-CB 4.2Å; L280-C286 CarbonylContact O-C 3.59Å; L280-C286 VanDerWaalsContact O-CA 3.29Å; L280-C286 WeakPolarHBondContact O-CA 3.35Å; L280-R287 HydrophobicContact CB-CB 4.45Å; L280-R287 HydrophobicContact CD2-CB 4.29Å; L280-R287 PolarHBondContact O-N 2.75Å; L280-R288 WeakPolarHBondContact CD1-O 3.35Å; L280-L290 HydrophobicContact CD2-CD2 3.89Å; L280-L290 HydrophobicContact CD2-CG 3.96Å
281Q97.9Very high97.7Very high40 Ų4036.4 Ų36.419%0.18718%0.181CC..BIsolated β-bridgetrans-69.1126.1-178.1-159.5-175.4-75.700111V277 F325 Y344V277-Q281 HydrophobicContact CG1-CB 4.43Å; V277-Q281 WeakPolarHBondContact O-CB 3.35Å; V277-Q281 PolarHBondContact O-N 3.25Å; Q281-F325 HydrophobicContact CG-CE1 3.77Å; Q281-F325 HydrophobicContact CG-CZ 4.47Å; Q281-Y344 PolarHBondContact OE1-OH 3.03Å; Q281-Y344 VanDerWaalsContact OE1-OH 3.11Å
282G96Very high97.5Very high10 Ų1033.2 Ų33.210%0.10316%0.161CC..  trans-113.3-157.2173.600000112.2L280 G285 E320L280-G282 PolarHBondContact O-N 3.08Å; G282-G285 PolarHBondContact N-O 2.76Å; G282-E320 WeakPolarHBondContact CA-OE2 3.34Å
283R95.7Very high97.3Very high93 Ų9333.2 Ų33.235%0.35116%0.161SC..SBendtrans-82.9-27-178.6-64.5-167.4-69.6145.6-3.4112.8E320 Q383 D384R283-E320 PolarHBondContact N-OE2 2.97Å; R283-Q383 PolarHBondContact NH2-O 3.25Å; R283-D384 IonicContact CZ-OD1 3.52Å; R283-D384 IonicContact NH1-OD1 3.25Å; R283-D384 PolarHBondContact NH1-OD1 3.16Å; R283-D384 IonicContact NH2-OD1 3.89Å; R283-D384 PolarHBondContact NH2-OD1 3.3Å
284Y97.7Very high97Very high37 Ų3733.7 Ų33.715%0.14516%0.163CC..SBendtrans-115.5-6-171.1-57.1-87.7000113.4E320 P322 V351 Y366 D384 R385Y284-E320 WeakPolarHBondContact CA-OE2 3.5Å; Y284-E320 WeakPolarHBondContact CB-OE2 3.39Å; Y284-E320 WeakPolarHBondContact CD2-OE2 3.44Å; Y284-E320 PolarHBondContact N-OE2 3.16Å; Y284-P322 WeakPolarHBondContact O-CG 3.46Å; Y284-V351 HydrophobicContact CD1-CG1 4.43Å; Y284-Y366 AromaticContact CD1-CD1 3.32Å; Y284-Y366 HydrophobicContact CD1-CD1 3.32Å; Y284-Y366 HydrophobicContact CD1-CD2 4.34Å; Y284-Y366 AromaticContact CD1-CE1 3.5Å; Y284-Y366 HydrophobicContact CD1-CE1 3.5Å; Y284-Y366 VanDerWaalsContact CD1-CE1 3.5Å; Y284-Y366 HydrophobicContact CD1-CE2 4.48Å; Y284-Y366 AromaticContact CD1-CG 3.79Å; Y284-Y366 HydrophobicContact CD1-CG 3.79Å; Y284-Y366 AromaticContact CE1-CD1 3.89Å; Y284-Y366 HydrophobicContact CE1-CD1 3.89Å; Y284-Y366 AromaticContact CE1-CE1 3.96Å; Y284-Y366 HydrophobicContact CE1-CE1 3.96Å; Y284-Y366 AromaticContact CG-CD1 3.8Å; Y284-Y366 HydrophobicContact CG-CD1 3.8Å; Y284-Y366 HydrophobicContact CG-CD2 4.41Å; Y284-Y366 HydrophobicContact CG-CE1 4.37Å; Y284-Y366 AromaticContact CG-CG 3.83Å; Y284-Y366 HydrophobicContact CG-CG 3.83Å; Y284-D384 PolarHBondContact OH-OD1 3.18Å; Y284-D384 VanDerWaalsContact OH-OD1 3.09Å; Y284-R385 HydrophobicContact CD2-CB 3.91Å; Y284-R385 HydrophobicContact CD2-CG 4.34Å; Y284-R385 HydrophobicContact CE2-CB 3.83Å; Y284-R385 HydrophobicContact CE2-CG 4.29Å; Y284-R385 HydrophobicContact CG-CB 4.49Å; Y284-R385 PolarHBondContact OH-N 3.21Å
285G98Very high96.7Very high0 Ų035.6 Ų35.60%017%0.165CC..SBendtrans163.6-15318000000111.5G282 W321 F325G282-G285 PolarHBondContact N-O 2.76Å; G285-W321 VanDerWaalsContact CA-O 3.3Å; G285-W321 WeakPolarHBondContact CA-O 3.39Å; G285-F325 VanDerWaalsContact CA-CZ 3.46Å; G285-F325 VanDerWaalsContact N-CE2 3.25Å; G285-F325 VanDerWaalsContact N-CZ 3.3Å
286C98.4Very high96.5Very high0 Ų034.8 Ų34.80%016%0.16CC..BIsolated β-bridgetrans-110.4147.4164.7-57.30000110.5A250 L280 W321 F324A250-C286 HydrophobicContact CB-CB 3.89Å; L280-C286 HydrophobicContact CB-CB 4.2Å; L280-C286 CarbonylContact O-C 3.59Å; L280-C286 VanDerWaalsContact O-CA 3.29Å; L280-C286 WeakPolarHBondContact O-CA 3.35Å; C286-W321 PolarHBondContact N-O 3.05Å; C286-W321 VanDerWaalsContact N-O 3.16Å; C286-W321 WeakPolarHBondContact O-CB 3.43Å; C286-W321 PolarHBondContact O-N 3.39Å; C286-F324 HydrophobicContact CB-CB 3.63Å; C286-F324 HydrophobicContact CB-CD2 3.6Å; C286-F324 HydrophobicContact CB-CE2 4.5Å; C286-F324 HydrophobicContact CB-CG 3.87Å; C286-F324 WeakPolarHBondContact O-CD2 3.27Å
287R97.9Very high96.1Very high20 Ų2036.4 Ų36.48%0.07517%0.173CC..  trans-63.3150.8160.6-62.1177.3-79.5-171.2-5.4108.9A250 K279 L280 E318 E320A250-R287 WeakPolarHBondContact CB-O 3.33Å; K279-R287 PolarHBondContact O-NH2 3.38Å; L280-R287 HydrophobicContact CB-CB 4.45Å; L280-R287 HydrophobicContact CD2-CB 4.29Å; L280-R287 PolarHBondContact O-N 2.75Å; R287-E318 HydrophobicContact CB-CB 4.41Å; R287-E318 VanDerWaalsContact CD-OE2 3.24Å; R287-E318 WeakPolarHBondContact CD-OE2 3.38Å; R287-E318 HydrophobicContact CG-CB 3.84Å; R287-E318 IonicContact CZ-OE2 3.36Å; R287-E318 IonicContact NE-OE2 3.34Å; R287-E318 VanDerWaalsContact NH1-CD 3.34Å; R287-E318 IonicContact NH1-OE1 2.86Å; R287-E318 PolarHBondContact NH1-OE1 3.19Å; R287-E318 IonicContact NH1-OE2 3.12Å; R287-E318 PolarHBondContact NH1-OE2 3.46Å; R287-E320 HydrophobicContact CG-CG 4.43Å
288R97.7Very high95.8Very high10 Ų1038.9 Ų38.94%0.03818%0.182CC..SBendtrans-64.2-55.4175.6-62.8-170.1-61.1169.77.2110.2W177 D249 A250 L280 D292 W321 F324W177-R288 HydrophobicContact CD2-CB 4.47Å; W177-R288 VanDerWaalsContact CD2-CD 3.5Å; W177-R288 HydrophobicContact CD2-CG 4.33Å; W177-R288 HydrophobicContact CH2-CG 4.18Å; W177-R288 HydrophobicContact CZ2-CB 4.07Å; W177-R288 HydrophobicContact CZ2-CG 3.93Å; W177-R288 HydrophobicContact CZ3-CG 4.46Å; D249-R288 CarbonylContact C-O 3.58Å; D249-R288 VanDerWaalsContact CA-O 3.26Å; D249-R288 WeakPolarHBondContact CA-O 3.5Å; D249-R288 VanDerWaalsContact CG-O 3.31Å; A250-R288 PolarHBondContact N-O 2.89Å; L280-R288 WeakPolarHBondContact CD1-O 3.35Å; R288-D292 IonicContact CZ-OD1 2.64Å; R288-D292 IonicContact CZ-OD2 3.31Å; R288-D292 IonicContact NE-OD2 3.75Å; R288-D292 PolarHBondContact NE-OD2 3.03Å; R288-D292 IonicContact NH2-OD1 3.98Å; R288-D292 PolarHBondContact NH2-OD1 3.45Å; R288-D292 IonicContact NH2-OD2 2.79Å; R288-D292 PolarHBondContact NH2-OD2 3.12Å; R288-W321 HydrophobicContact CG-CD2 4.29Å; R288-W321 HydrophobicContact CG-CG 4.3Å; R288-W321 HydrophobicContact CG-CZ2 4.29Å; R288-F324 HydrophobicContact CG-CE2 4.23Å; R288-F324 HydrophobicContact CG-CZ 4.39Å
289F97.2Very high95.5Very high6 Ų633.9 Ų33.93%0.02615%0.154CC..SBendtrans-150.1167.5171.450.9-90.3000109.1W177 K182 K246 T248 D249 D292W177-F289 AromaticContact CD1-CD1 3.87Å; W177-F289 AromaticContact CD1-CE1 3.7Å; W177-F289 HydrophobicContact CG-CE1 4.39Å; K182-F289 HydrophobicContact CG-CD2 4.2Å; K182-F289 HydrophobicContact CG-CE2 3.95Å; K246-F289 HydrophobicContact CD-CB 4.39Å; K246-F289 HydrophobicContact CD-CD1 3.87Å; K246-F289 HydrophobicContact CD-CD2 4.38Å; K246-F289 HydrophobicContact CD-CE1 4.22Å; K246-F289 HydrophobicContact CD-CG 3.95Å; K246-F289 HydrophobicContact CG-CD2 4.39Å; K246-F289 HydrophobicContact CG-CG 4.32Å; T248-F289 WeakPolarHBondContact O-CB 3.49Å; D249-F289 VanDerWaalsContact OD2-CD1 3.3Å; D249-F289 WeakPolarHBondContact OD2-CD1 3.29Å; F289-D292 HydrophobicContact CD1-CB 4.48Å; F289-D292 HydrophobicContact CD2-CB 3.89Å; F289-D292 HydrophobicContact CE1-CB 4.26Å; F289-D292 HydrophobicContact CE2-CB 3.63Å; F289-D292 HydrophobicContact CG-CB 4.31Å; F289-D292 HydrophobicContact CZ-CB 3.83Å; F289-D292 WeakPolarHBondContact O-CB 3.44Å; F289-D292 PolarHBondContact O-N 3.21Å
290L96Very high95Very high41 Ų4131.2 Ų31.222%0.21514%0.144CC..THydrogen-bonded Turntrans-63.5139.2179.8-66.1174.2000110.9K182 K279 L280 D292K182-L290 WeakPolarHBondContact CE-O 3.43Å; K182-L290 PolarHBondContact NZ-O 2.89Å; K279-L290 HydrophobicContact CD-CD1 4.44Å; L280-L290 HydrophobicContact CD2-CD2 3.89Å; L280-L290 HydrophobicContact CD2-CG 3.96Å; L290-D292 PolarHBondContact O-N 3.29Å
291R94.8Very high94.4Very high81 Ų8136.6 Ų36.631%0.30618%0.179SC..THydrogen-bonded Turntrans60.929.7179.4-51.2-178.6-177.6167.2-5.1114.2G293 L311 E315 E318R291-G293 PolarHBondContact O-N 3.32Å; R291-L311 WeakPolarHBondContact CB-O 3.25Å; R291-E315 HydrophobicContact CG-CB 4.03Å; R291-E315 HydrophobicContact CG-CG 4.29Å; R291-E315 IonicContact CZ-OE1 3.37Å; R291-E315 VanDerWaalsContact CZ-OE1 3.31Å; R291-E315 IonicContact CZ-OE2 3.03Å; R291-E315 IonicContact NE-OE1 3.69Å; R291-E315 PolarHBondContact NE-OE1 3.3Å; R291-E315 IonicContact NE-OE2 2.73Å; R291-E315 IonicContact NH2-OE1 3.38Å; R291-E315 PolarHBondContact NH2-OE1 3.15Å; R291-E315 IonicContact NH2-OE2 2.75Å; R291-E315 PolarHBondContact NH2-OE2 3.34Å; R291-E318 WeakPolarHBondContact CA-OE1 3.26Å; R291-E318 PolarHBondContact N-OE1 3.09Å
292D95Very high93.8Very high1 Ų144.8 Ų44.81%0.00521%0.208CC..  trans-73.8117.6170.7-179.521.1000110.7R179 R288 F289 L290 Y294 E318R179-D292 IonicContact NH1-OD1 2.9Å; R288-D292 IonicContact CZ-OD1 2.64Å; R288-D292 IonicContact CZ-OD2 3.31Å; R288-D292 IonicContact NE-OD2 3.75Å; R288-D292 PolarHBondContact NE-OD2 3.03Å; R288-D292 IonicContact NH2-OD1 3.98Å; R288-D292 PolarHBondContact NH2-OD1 3.45Å; R288-D292 IonicContact NH2-OD2 2.79Å; R288-D292 PolarHBondContact NH2-OD2 3.12Å; F289-D292 HydrophobicContact CD1-CB 4.48Å; F289-D292 HydrophobicContact CD2-CB 3.89Å; F289-D292 HydrophobicContact CE1-CB 4.26Å; F289-D292 HydrophobicContact CE2-CB 3.63Å; F289-D292 HydrophobicContact CG-CB 4.31Å; F289-D292 HydrophobicContact CZ-CB 3.83Å; F289-D292 WeakPolarHBondContact O-CB 3.44Å; F289-D292 PolarHBondContact O-N 3.21Å; L290-D292 PolarHBondContact O-N 3.29Å; D292-Y294 VanDerWaalsContact C-N 3.34Å; D292-Y294 WeakPolarHBondContact OD1-CB 3.35Å; D292-Y294 PolarHBondContact OD1-N 3.01Å; D292-Y294 VanDerWaalsContact OD1-N 3.15Å; D292-E318 WeakPolarHBondContact O-CG 3.26Å
293G93.2Very high93.1Very high0 Ų048.1 Ų48.10%022%0.218CC..  trans-80.6-7.4179.900000115.5R291 E295 T296 E299 Y306R291-G293 PolarHBondContact O-N 3.32Å; G293-E295 PolarHBondContact O-N 3.46Å; G293-T296 WeakPolarHBondContact O-CB 3.26Å; G293-T296 WeakPolarHBondContact O-CG2 3.43Å; G293-T296 PolarHBondContact O-N 3.4Å; G293-T296 PolarHBondContact O-OG1 2.68Å; G293-E299 VanDerWaalsContact O-CB 3.31Å; G293-E299 WeakPolarHBondContact O-CB 3.35Å; G293-Y306 VanDerWaalsContact CA-OH 3.29Å; G293-Y306 WeakPolarHBondContact CA-OH 3.34Å
294Y92.9Very high92.2Very high47 Ų4748.2 Ų48.218%0.18422%0.224CC..THydrogen-bonded Turntrans-60125.3-170.8-176.2-106.9000114.1D292 T296 E299 Y306 C319 W321 K364 L365D292-Y294 VanDerWaalsContact C-N 3.34Å; D292-Y294 WeakPolarHBondContact OD1-CB 3.35Å; D292-Y294 PolarHBondContact OD1-N 3.01Å; D292-Y294 VanDerWaalsContact OD1-N 3.15Å; Y294-T296 PolarHBondContact O-N 3.48Å; Y294-T296 VanDerWaalsContact O-N 3.08Å; Y294-E299 WeakPolarHBondContact CA-OE2 3.26Å; Y294-Y306 PolarHBondContact N-OH 3.09Å; Y294-C319 PolarHBondContact O-SG 3.1Å; Y294-W321 HydrophobicContact CD1-CH2 4.33Å; Y294-W321 AromaticContact CD1-CZ2 3.62Å; Y294-W321 HydrophobicContact CD1-CZ2 3.62Å; Y294-W321 AromaticContact CE1-CH2 3.94Å; Y294-W321 HydrophobicContact CE1-CH2 3.94Å; Y294-W321 AromaticContact CE1-CZ2 3.68Å; Y294-W321 HydrophobicContact CE1-CZ2 3.68Å; Y294-K364 PolarHBondContact OH-NZ 3.09Å; Y294-L365 HydrophobicContact CD1-CD2 4.08Å; Y294-L365 HydrophobicContact CE1-CD2 3.91Å
295E92.1Very high91.5Very high84 Ų8451.6 Ų51.639%0.39324%0.238SC..THydrogen-bonded Turntrans55.816.4-177.7-63.6-104.1-157.600113.4G293 E299 L365 V367G293-E295 PolarHBondContact O-N 3.46Å; E295-E299 WeakPolarHBondContact CA-OE2 3.38Å; E295-E299 PolarHBondContact N-OE2 2.92Å; E295-L365 HydrophobicContact CB-CD1 4.46Å; E295-L365 HydrophobicContact CB-CD2 4.03Å; E295-L365 HydrophobicContact CG-CD2 4.13Å; E295-V367 VanDerWaalsContact O-CG1 3.27Å; E295-V367 WeakPolarHBondContact O-CG1 3.45Å
296T94.2Very high91Very high7 Ų752.5 Ų52.54%0.04324%0.241CC..  trans-72.4153.9173.266.90000109.8G293 Y294 K298 E299 F314 I317G293-T296 WeakPolarHBondContact O-CB 3.26Å; G293-T296 WeakPolarHBondContact O-CG2 3.43Å; G293-T296 PolarHBondContact O-N 3.4Å; G293-T296 PolarHBondContact O-OG1 2.68Å; Y294-T296 PolarHBondContact O-N 3.48Å; Y294-T296 VanDerWaalsContact O-N 3.08Å; T296-K298 PolarHBondContact O-N 2.99Å; T296-E299 WeakPolarHBondContact O-CB 3.44Å; T296-E299 PolarHBondContact O-N 2.71Å; T296-E299 PolarHBondContact OG1-N 3.38Å; T296-F314 WeakPolarHBondContact OG1-CD1 3.45Å; T296-I317 WeakPolarHBondContact CG2-O 3.47Å
297A90.8Very high90.3Very high33 Ų3357.2 Ų57.227%0.27326%0.263SS..THydrogen-bonded Turntrans-59.3-12.6178.100000114.6E370A297-E370 HydrophobicContact CB-CB 4Å; A297-E370 HydrophobicContact CB-CG 4.22Å
298K91.3Very high89.4Confident82 Ų8261.5 Ų61.536%0.35729%0.294SS..THydrogen-bonded Turntrans-103.3-5.4177.6-61.3-60.9-178.3-167.80113.5T296 F314 I317 T373T296-K298 PolarHBondContact O-N 2.99Å; K298-F314 HydrophobicContact CB-CD1 4.27Å; K298-F314 HydrophobicContact CB-CE1 4.1Å; K298-I317 HydrophobicContact CB-CD1 4.15Å; K298-I317 HydrophobicContact CG-CD1 3.68Å; K298-T373 HydrophobicContact CG-CG2 4.39Å
299E92Very high88.6Confident29 Ų2966.2 Ų66.214%0.13632%0.316CS..  trans-71.4138.1174.2-161.9-179.3-150.300109.9R179 G293 Y294 E295 T296 P301 Y306R179-E299 IonicContact CZ-OE1 3.57Å; R179-E299 IonicContact NH1-OE1 3.39Å; R179-E299 IonicContact NH2-OE1 3.73Å; R179-E299 PolarHBondContact NH2-OE1 2.97Å; G293-E299 VanDerWaalsContact O-CB 3.31Å; G293-E299 WeakPolarHBondContact O-CB 3.35Å; Y294-E299 WeakPolarHBondContact CA-OE2 3.26Å; E295-E299 WeakPolarHBondContact CA-OE2 3.38Å; E295-E299 PolarHBondContact N-OE2 2.92Å; T296-E299 WeakPolarHBondContact O-CB 3.44Å; T296-E299 PolarHBondContact O-N 2.71Å; T296-E299 PolarHBondContact OG1-N 3.38Å; E299-P301 VanDerWaalsContact O-CD 3.26Å; E299-P301 WeakPolarHBondContact O-CD 2.99Å; E299-Y306 HydrophobicContact CG-CE1 3.92Å; E299-Y306 WeakPolarHBondContact OE1-CE1 3.26Å; E299-Y306 PolarHBondContact OE1-OH 3.25Å
300D89Confident88.1Confident35 Ų3566.5 Ų66.519%0.18732%0.317CS..  trans-89.8105.3167-173.7-12000109R302 R303D300-R302 PolarHBondContact O-N 2.82Å; D300-R302 WeakPolarHBondContact OD1-CB 3.42Å; D300-R302 IonicContact OD1-CZ 2.76Å; D300-R302 PolarHBondContact OD1-N 2.81Å; D300-R302 VanDerWaalsContact OD1-N 3.12Å; D300-R302 IonicContact OD1-NE 3.79Å; D300-R302 PolarHBondContact OD1-NE 2.73Å; D300-R302 IonicContact OD1-NH2 3.71Å; D300-R302 PolarHBondContact OD1-NH2 2.87Å; D300-R302 IonicContact OD2-CZ 2.73Å; D300-R302 IonicContact OD2-NE 3.88Å; D300-R302 IonicContact OD2-NH2 2.74Å; D300-R302 PolarHBondContact OD2-NH2 3.34Å; D300-R303 PolarHBondContact O-N 3.44Å; D300-R303 IonicContact OD2-NE 3.96Å; D300-R303 PolarHBondContact OD2-NE 3.38Å
301P85.2Confident87.8Confident113 Ų11365.6 Ų65.673%0.73431%0.313SS*.THydrogen-bonded Turntrans-68.5-7.9-174.529.7-36.9000113.2E299E299-P301 VanDerWaalsContact O-CD 3.26Å; E299-P301 WeakPolarHBondContact O-CD 2.99Å
302R84.4Confident87.4Confident211 Ų21168.8 Ų68.880%0.79633%0.331SS*.THydrogen-bonded Turntrans-87-10.8179.7-56.8168.4-62.4175.27.5112.7D300D300-R302 PolarHBondContact O-N 2.82Å; D300-R302 WeakPolarHBondContact OD1-CB 3.42Å; D300-R302 IonicContact OD1-CZ 2.76Å; D300-R302 PolarHBondContact OD1-N 2.81Å; D300-R302 VanDerWaalsContact OD1-N 3.12Å; D300-R302 IonicContact OD1-NE 3.79Å; D300-R302 PolarHBondContact OD1-NE 2.73Å; D300-R302 IonicContact OD1-NH2 3.71Å; D300-R302 PolarHBondContact OD1-NH2 2.87Å; D300-R302 IonicContact OD2-CZ 2.73Å; D300-R302 IonicContact OD2-NE 3.88Å; D300-R302 IonicContact OD2-NH2 2.74Å; D300-R302 PolarHBondContact OD2-NH2 3.34Å
303R82.2Confident87.3Confident81 Ų8173.1 Ų73.131%0.30635%0.35SS..  trans-110.1132.4-178.8-68.3-172.4-70.3128.56109.9D300 Y305 E307 E310D300-R303 PolarHBondContact O-N 3.44Å; D300-R303 IonicContact OD2-NE 3.96Å; D300-R303 PolarHBondContact OD2-NE 3.38Å; R303-Y305 VanDerWaalsContact C-N 3.34Å; R303-E307 IonicContact NH1-OE1 3.17Å; R303-E310 IonicContact CZ-OE1 3.25Å; R303-E310 IonicContact CZ-OE2 3.52Å; R303-E310 IonicContact NH1-OE1 2.83Å; R303-E310 IonicContact NH1-OE2 3.93Å; R303-E310 PolarHBondContact NH1-OE2 2.96Å; R303-E310 VanDerWaalsContact NH2-CD 3.28Å; R303-E310 IonicContact NH2-OE1 3.65Å; R303-E310 PolarHBondContact NH2-OE1 2.79Å; R303-E310 IonicContact NH2-OE2 3.64Å; R303-E310 PolarHBondContact NH2-OE2 2.82Å
304L76.3Confident87.3Confident94 Ų9473.1 Ų73.149%0.49235%0.35SS..SBendtrans-71.1-34174.5-174.662.4000111.6N184N184-L304 PolarHBondContact ND2-O 2.76Å
305Y84Confident87.3Confident109 Ų10974.3 Ų74.343%0.42736%0.357SS..SBendtrans-119.1149.2-173.1-55.5-48.6000112.5N184 G186 R303N184-Y305 WeakPolarHBondContact O-CA 3.48Å; N184-Y305 VanDerWaalsContact O-CB 3.25Å; N184-Y305 WeakPolarHBondContact O-CB 3.43Å; N184-Y305 WeakPolarHBondContact O-CD1 3.23Å; G186-Y305 VanDerWaalsContact CA-CE1 3.48Å; G186-Y305 VanDerWaalsContact N-CE1 3.31Å; R303-Y305 VanDerWaalsContact C-N 3.34Å
306Y86.1Confident87.4Confident18 Ų1872.5 Ų72.57%0.07135%0.35CS..  trans-87.5154.4176.7-53.7-30.8000111.9R179 T183 N184 G293 Y294 E299 E310 L311 F314R179-Y306 PolarHBondContact NH1-OH 2.73Å; T183-Y306 WeakPolarHBondContact O-CB 3.31Å; T183-Y306 WeakPolarHBondContact O-CD2 3.43Å; N184-Y306 HydrophobicContact CB-CD2 3.85Å; N184-Y306 HydrophobicContact CB-CE2 4.01Å; N184-Y306 HydrophobicContact CB-CG 4.34Å; N184-Y306 PolarHBondContact O-N 3.4Å; G293-Y306 VanDerWaalsContact CA-OH 3.29Å; G293-Y306 WeakPolarHBondContact CA-OH 3.34Å; Y294-Y306 PolarHBondContact N-OH 3.09Å; E299-Y306 HydrophobicContact CG-CE1 3.92Å; E299-Y306 WeakPolarHBondContact OE1-CE1 3.26Å; E299-Y306 PolarHBondContact OE1-OH 3.25Å; Y306-E310 WeakPolarHBondContact CA-OE2 3.37Å; Y306-L311 HydrophobicContact CD2-CD2 4.06Å; Y306-L311 HydrophobicContact CE2-CD2 4.33Å; Y306-F314 AromaticContact CD2-CE2 3.95Å; Y306-F314 HydrophobicContact CD2-CE2 3.95Å; Y306-F314 HydrophobicContact CE1-CE2 4.37Å; Y306-F314 HydrophobicContact CE1-CZ 4.37Å; Y306-F314 HydrophobicContact CE2-CD2 4.46Å; Y306-F314 AromaticContact CE2-CE2 3.74Å; Y306-F314 HydrophobicContact CE2-CE2 3.74Å; Y306-F314 HydrophobicContact CG-CE2 4.31Å; Y306-F314 AromaticContact CZ-CE2 3.92Å
307E84.6Confident87.5Confident100 Ų10072.3 Ų72.347%0.46735%0.349SS..  trans-77.1147.1161.7-61-59.6148.600109.8R303 H309 E310R303-E307 IonicContact NH1-OE1 3.17Å; E307-H309 VanDerWaalsContact CB-CE1 3.49Å; E307-H309 WeakPolarHBondContact CB-CE1 3.4Å; E307-H309 PolarHBondContact O-N 3.49Å; E307-E310 HydrophobicContact CB-CG 4Å; E307-E310 PolarHBondContact N-OE2 2.86Å; E307-E310 WeakPolarHBondContact O-CB 3.45Å; E307-E310 PolarHBondContact O-N 2.83Å
308P78Confident87.8Confident110 Ų11070.8 Ų70.871%0.71434%0.336SS*.THydrogen-bonded Turntrans-54.1-27.8-174.5-29.535000115.6
309H82.5Confident88.1Confident109 Ų10966.9 Ų66.951%0.50532%0.319SS..THydrogen-bonded Turntrans-86.9-6.5-176.970.6-82.5000113.7E307 K313E307-H309 VanDerWaalsContact CB-CE1 3.49Å; E307-H309 WeakPolarHBondContact CB-CE1 3.4Å; E307-H309 PolarHBondContact O-N 3.49Å; H309-K313 PolarHBondContact CD2-NZ 2.82Å; H309-K313 VanDerWaalsContact CD2-NZ 3.33Å; H309-K313 PolarHBondContact NE2-NZ 2.71Å
310E86.6Confident88.4Confident12 Ų1265.6 Ų65.66%0.05631%0.313CS..SBendtrans-76-28.6-174.6-66.1-172.3100.100113.2R303 Y306 E307 Q312 K313 F314R303-E310 IonicContact CZ-OE1 3.25Å; R303-E310 IonicContact CZ-OE2 3.52Å; R303-E310 IonicContact NH1-OE1 2.83Å; R303-E310 IonicContact NH1-OE2 3.93Å; R303-E310 PolarHBondContact NH1-OE2 2.96Å; R303-E310 VanDerWaalsContact NH2-CD 3.28Å; R303-E310 IonicContact NH2-OE1 3.65Å; R303-E310 PolarHBondContact NH2-OE1 2.79Å; R303-E310 IonicContact NH2-OE2 3.64Å; R303-E310 PolarHBondContact NH2-OE2 2.82Å; Y306-E310 WeakPolarHBondContact CA-OE2 3.37Å; E307-E310 HydrophobicContact CB-CG 4Å; E307-E310 PolarHBondContact N-OE2 2.86Å; E307-E310 WeakPolarHBondContact O-CB 3.45Å; E307-E310 PolarHBondContact O-N 2.83Å; E310-Q312 PolarHBondContact O-N 3.3Å; E310-Q312 VanDerWaalsContact O-N 3.13Å; E310-K313 WeakPolarHBondContact O-CA 3.34Å; E310-K313 VanDerWaalsContact O-CB 3.26Å; E310-K313 WeakPolarHBondContact O-CB 3.17Å; E310-K313 PolarHBondContact O-N 3.38Å; E310-F314 HydrophobicContact CB-CE2 3.91Å; E310-F314 HydrophobicContact CB-CZ 3.83Å; E310-F314 WeakPolarHBondContact O-CD2 3.47Å
311L88.1Confident88.8Confident22 Ų2264.3 Ų64.312%0.11531%0.305CS..G310 helixtrans-56.5-35.8-178-69.3-172.2000113.8K182 T183 R291 Y306 K313 F314K182-L311 HydrophobicContact CG-CD1 4.03Å; K182-L311 HydrophobicContact CG-CD2 4.47Å; K182-L311 WeakPolarHBondContact O-CD2 3.4Å; T183-L311 HydrophobicContact CG2-CD1 3.55Å; T183-L311 HydrophobicContact CG2-CG 4.44Å; R291-L311 WeakPolarHBondContact CB-O 3.25Å; Y306-L311 HydrophobicContact CD2-CD2 4.06Å; Y306-L311 HydrophobicContact CE2-CD2 4.33Å; L311-K313 PolarHBondContact O-N 2.91Å; L311-F314 HydrophobicContact CD2-CD2 4.16Å; L311-F314 HydrophobicContact CD2-CE2 4.36Å; L311-F314 PolarHBondContact O-N 3.34Å
312Q88.3Confident89.5Confident148 Ų14858.9 Ų58.969%0.69227%0.27SS*.G310 helixtrans-68.4-25177.7-681795.600112.3E310 F314E310-Q312 PolarHBondContact O-N 3.3Å; E310-Q312 VanDerWaalsContact O-N 3.13Å; Q312-F314 VanDerWaalsContact C-N 3.29Å; Q312-F314 PolarHBondContact O-N 2.59Å
313K91.1Very high90.1Very high92 Ų9248.9 Ų48.940%0.423%0.233SC..G310 helixtrans-74.8-20.7178.9-55179-172.3165.40112.5H309 E310 L311 I317H309-K313 PolarHBondContact CD2-NZ 2.82Å; H309-K313 VanDerWaalsContact CD2-NZ 3.33Å; H309-K313 PolarHBondContact NE2-NZ 2.71Å; E310-K313 WeakPolarHBondContact O-CA 3.34Å; E310-K313 VanDerWaalsContact O-CB 3.26Å; E310-K313 WeakPolarHBondContact O-CB 3.17Å; E310-K313 PolarHBondContact O-N 3.38Å; L311-K313 PolarHBondContact O-N 2.91Å; K313-I317 VanDerWaalsContact O-CD1 3.26Å; K313-I317 WeakPolarHBondContact O-CD1 3.35Å
314F93.7Very high90.9Very high0 Ų045 Ų450%022%0.218CC..G310 helixtrans-89.5-11.8-178.3-51.9-41.9000113.4T296 K298 Y306 E310 L311 Q312 N316 I317 E318T296-F314 WeakPolarHBondContact OG1-CD1 3.45Å; K298-F314 HydrophobicContact CB-CD1 4.27Å; K298-F314 HydrophobicContact CB-CE1 4.1Å; Y306-F314 AromaticContact CD2-CE2 3.95Å; Y306-F314 HydrophobicContact CD2-CE2 3.95Å; Y306-F314 HydrophobicContact CE1-CE2 4.37Å; Y306-F314 HydrophobicContact CE1-CZ 4.37Å; Y306-F314 HydrophobicContact CE2-CD2 4.46Å; Y306-F314 AromaticContact CE2-CE2 3.74Å; Y306-F314 HydrophobicContact CE2-CE2 3.74Å; Y306-F314 HydrophobicContact CG-CE2 4.31Å; Y306-F314 AromaticContact CZ-CE2 3.92Å; E310-F314 HydrophobicContact CB-CE2 3.91Å; E310-F314 HydrophobicContact CB-CZ 3.83Å; E310-F314 WeakPolarHBondContact O-CD2 3.47Å; L311-F314 HydrophobicContact CD2-CD2 4.16Å; L311-F314 HydrophobicContact CD2-CE2 4.36Å; L311-F314 PolarHBondContact O-N 3.34Å; Q312-F314 VanDerWaalsContact C-N 3.29Å; Q312-F314 PolarHBondContact O-N 2.59Å; F314-N316 PolarHBondContact O-N 3.05Å; F314-I317 WeakPolarHBondContact O-CG1 3.24Å; F314-I317 PolarHBondContact O-N 3.12Å; F314-E318 VanDerWaalsContact O-CD 3.32Å; F314-E318 WeakPolarHBondContact O-CG 3.44Å
315E93.8Very high92Very high71 Ų7140.5 Ų40.533%0.33220%0.195SC..THydrogen-bonded Turntrans-59.7129.2-179-171161-128.700111.4R291 I317 L377R291-E315 HydrophobicContact CG-CB 4.03Å; R291-E315 HydrophobicContact CG-CG 4.29Å; R291-E315 IonicContact CZ-OE1 3.37Å; R291-E315 VanDerWaalsContact CZ-OE1 3.31Å; R291-E315 IonicContact CZ-OE2 3.03Å; R291-E315 IonicContact NE-OE1 3.69Å; R291-E315 PolarHBondContact NE-OE1 3.3Å; R291-E315 IonicContact NE-OE2 2.73Å; R291-E315 IonicContact NH2-OE1 3.38Å; R291-E315 PolarHBondContact NH2-OE1 3.15Å; R291-E315 IonicContact NH2-OE2 2.75Å; R291-E315 PolarHBondContact NH2-OE2 3.34Å; E315-I317 PolarHBondContact O-N 3.34Å; E315-L377 WeakPolarHBondContact O-CD2 3.15Å
316N94.1Very high92.7Very high47 Ų4735.3 Ų35.325%0.25117%0.174SC..THydrogen-bonded Turntrans70.2-3.8-179.5-52.5-45.9000116.5F314 E318 E376 P380 R385F314-N316 PolarHBondContact O-N 3.05Å; N316-E318 WeakPolarHBondContact CA-OE2 3.07Å; N316-E318 PolarHBondContact N-OE2 3.46Å; N316-E376 WeakPolarHBondContact O-CG 3.32Å; N316-P380 HydrophobicContact CB-CB 4.1Å; N316-P380 HydrophobicContact CB-CG 4.09Å; N316-R385 PolarHBondContact O-NH2 3.27Å
317I96.4Very high93.3Very high3 Ų334.7 Ų34.72%0.01517%0.172CC..  trans-112.610.6178.266.3161.4000112.1T296 K298 K313 F314 E315 L368 T373 E376 L377T296-I317 WeakPolarHBondContact CG2-O 3.47Å; K298-I317 HydrophobicContact CB-CD1 4.15Å; K298-I317 HydrophobicContact CG-CD1 3.68Å; K313-I317 VanDerWaalsContact O-CD1 3.26Å; K313-I317 WeakPolarHBondContact O-CD1 3.35Å; F314-I317 WeakPolarHBondContact O-CG1 3.24Å; F314-I317 PolarHBondContact O-N 3.12Å; E315-I317 PolarHBondContact O-N 3.34Å; I317-L368 HydrophobicContact CB-CD2 4.09Å; I317-L368 HydrophobicContact CG2-CD2 3.94Å; I317-T373 HydrophobicContact CD1-CG2 4.05Å; I317-T373 HydrophobicContact CG2-CG2 4.07Å; I317-E376 HydrophobicContact CG2-CB 4.48Å; I317-E376 HydrophobicContact CG2-CG 4.28Å; I317-L377 HydrophobicContact CG2-CD2 3.67Å; I317-L377 HydrophobicContact CG2-CG 3.81Å
318E96.9Very high93.9Very high1 Ų130 Ų301%0.00515%0.15CC..  trans-63.1148.6-177.3-4992.4148.700111.2R287 R291 D292 F314 N316R287-E318 HydrophobicContact CB-CB 4.41Å; R287-E318 VanDerWaalsContact CD-OE2 3.24Å; R287-E318 WeakPolarHBondContact CD-OE2 3.38Å; R287-E318 HydrophobicContact CG-CB 3.84Å; R287-E318 IonicContact CZ-OE2 3.36Å; R287-E318 IonicContact NE-OE2 3.34Å; R287-E318 VanDerWaalsContact NH1-CD 3.34Å; R287-E318 IonicContact NH1-OE1 2.86Å; R287-E318 PolarHBondContact NH1-OE1 3.19Å; R287-E318 IonicContact NH1-OE2 3.12Å; R287-E318 PolarHBondContact NH1-OE2 3.46Å; R291-E318 WeakPolarHBondContact CA-OE1 3.26Å; R291-E318 PolarHBondContact N-OE1 3.09Å; D292-E318 WeakPolarHBondContact O-CG 3.26Å; F314-E318 VanDerWaalsContact O-CD 3.32Å; F314-E318 WeakPolarHBondContact O-CG 3.44Å; N316-E318 WeakPolarHBondContact CA-OE2 3.07Å; N316-E318 PolarHBondContact N-OE2 3.46Å
319C97.4Very high94.9Very high0 Ų024.8 Ų24.80%012%0.116CC..  trans-66.5144.4174.1-66.40000111.3Y294 L365 Y366Y294-C319 PolarHBondContact O-SG 3.1Å; C319-L365 HydrophobicContact CB-CB 4.38Å; C319-L365 HydrophobicContact CB-CD1 4.39Å; C319-L365 HydrophobicContact CB-CD2 4.39Å; C319-Y366 WeakPolarHBondContact CA-O 3.33Å
320E98.1Very high95.7Very high2 Ų219.6 Ų19.61%0.0099%0.092CC..BIsolated β-bridgetrans-105.8133.7177.2-64.3-177.8-167.300109.9G282 R283 Y284 R287 L365 Y366 R385G282-E320 WeakPolarHBondContact CA-OE2 3.34Å; R283-E320 PolarHBondContact N-OE2 2.97Å; Y284-E320 WeakPolarHBondContact CA-OE2 3.5Å; Y284-E320 WeakPolarHBondContact CB-OE2 3.39Å; Y284-E320 WeakPolarHBondContact CD2-OE2 3.44Å; Y284-E320 PolarHBondContact N-OE2 3.16Å; R287-E320 HydrophobicContact CG-CG 4.43Å; E320-L365 CarbonylContact O-C 3.59Å; E320-L365 WeakPolarHBondContact O-CA 3.46Å; E320-Y366 PolarHBondContact N-O 2.64Å; E320-Y366 VanDerWaalsContact N-O 3.08Å; E320-Y366 PolarHBondContact O-N 2.81Å; E320-R385 IonicContact OE1-CZ 2.96Å; E320-R385 IonicContact OE1-NE 3.79Å
321W98.2Very high96.2Very high7 Ų719.5 Ų19.53%0.0279%0.092CC..BIsolated β-bridgetrans-111.5112.6-172.8-67.465.7000110.5G285 C286 R288 Y294 L323 F324 K364 L365 F393G285-W321 VanDerWaalsContact CA-O 3.3Å; G285-W321 WeakPolarHBondContact CA-O 3.39Å; C286-W321 PolarHBondContact N-O 3.05Å; C286-W321 VanDerWaalsContact N-O 3.16Å; C286-W321 WeakPolarHBondContact O-CB 3.43Å; C286-W321 PolarHBondContact O-N 3.39Å; R288-W321 HydrophobicContact CG-CD2 4.29Å; R288-W321 HydrophobicContact CG-CG 4.3Å; R288-W321 HydrophobicContact CG-CZ2 4.29Å; Y294-W321 HydrophobicContact CD1-CH2 4.33Å; Y294-W321 AromaticContact CD1-CZ2 3.62Å; Y294-W321 HydrophobicContact CD1-CZ2 3.62Å; Y294-W321 AromaticContact CE1-CH2 3.94Å; Y294-W321 HydrophobicContact CE1-CH2 3.94Å; Y294-W321 AromaticContact CE1-CZ2 3.68Å; Y294-W321 HydrophobicContact CE1-CZ2 3.68Å; W321-L323 HydrophobicContact CB-CB 4.39Å; W321-L323 PolarHBondContact O-N 3.31Å; W321-L323 VanDerWaalsContact O-N 3.11Å; W321-F324 HydrophobicContact CB-CD2 3.71Å; W321-F324 HydrophobicContact CB-CE2 3.66Å; W321-F324 HydrophobicContact CG-CE2 4.15Å; W321-F324 PolarHBondContact O-N 2.74Å; W321-K364 HydrophobicContact CE3-CG 4.23Å; W321-K364 HydrophobicContact CH2-CD 4.39Å; W321-K364 VanDerWaalsContact CH2-CE 3.49Å; W321-K364 HydrophobicContact CH2-CG 4.04Å; W321-K364 HydrophobicContact CZ3-CD 4.38Å; W321-K364 HydrophobicContact CZ3-CG 3.63Å; W321-L365 HydrophobicContact CD2-CB 4.12Å; W321-L365 HydrophobicContact CG-CB 4.28Å; W321-L365 HydrophobicContact CH2-CD2 4.3Å; W321-L365 HydrophobicContact CZ2-CD2 3.77Å; W321-F393 HydrophobicContact CE3-CE1 4.12Å; W321-F393 AromaticContact CZ3-CE1 3.84Å; W321-F393 HydrophobicContact CZ3-CE1 3.84Å; W321-F393 HydrophobicContact CZ3-CZ 4.16Å
322P98.2Very high96.7Very high0 Ų018.5 Ų18.50%09%0.086CC..THydrogen-bonded Turntrans-58-23.5175.5-26.634.7000113.7Y284 F324 F325 C326 V351 I362 P363 Y366Y284-P322 WeakPolarHBondContact O-CG 3.46Å; P322-F324 PolarHBondContact O-N 3.24Å; P322-F325 WeakPolarHBondContact O-CA 3.27Å; P322-F325 WeakPolarHBondContact O-CB 3.37Å; P322-F325 PolarHBondContact O-N 3.03Å; P322-C326 PolarHBondContact O-N 3.25Å; P322-V351 HydrophobicContact CB-CB 4.46Å; P322-V351 HydrophobicContact CB-CG2 3.92Å; P322-V351 HydrophobicContact CG-CB 4.37Å; P322-V351 HydrophobicContact CG-CG2 4.37Å; P322-I362 HydrophobicContact CB-CG2 3.67Å; P322-I362 HydrophobicContact CG-CG2 4.38Å; P322-P363 HydrophobicContact CG-CG 4.23Å; P322-Y366 HydrophobicContact CG-CD2 3.56Å; P322-Y366 HydrophobicContact CG-CE2 3.55Å
323L98.1Very high97.2Very high0 Ų012.4 Ų12.40%06%0.058CC..Hα-helixtrans-41-43.8172.5173.763.1000112.6W321 C326 Y327 F393 W395 A396 L399W321-L323 HydrophobicContact CB-CB 4.39Å; W321-L323 PolarHBondContact O-N 3.31Å; W321-L323 VanDerWaalsContact O-N 3.11Å; L323-C326 VanDerWaalsContact O-CB 3.26Å; L323-C326 WeakPolarHBondContact O-CB 3.33Å; L323-C326 PolarHBondContact O-N 3.23Å; L323-C326 VanDerWaalsContact O-N 3.13Å; L323-Y327 HydrophobicContact CD1-CD2 4.21Å; L323-Y327 HydrophobicContact CD1-CE2 3.88Å; L323-Y327 HydrophobicContact CD2-CE2 4.34Å; L323-Y327 HydrophobicContact CG-CD2 4.1Å; L323-Y327 HydrophobicContact CG-CE2 3.96Å; L323-Y327 PolarHBondContact O-N 3.15Å; L323-Y327 VanDerWaalsContact O-N 3.11Å; L323-F393 HydrophobicContact CD2-CE1 4.22Å; L323-W395 HydrophobicContact CD1-CD2 4.12Å; L323-W395 HydrophobicContact CD1-CG 3.9Å; L323-W395 HydrophobicContact CD2-CD2 3.95Å; L323-W395 HydrophobicContact CD2-CE3 4.13Å; L323-W395 HydrophobicContact CD2-CH2 4.1Å; L323-W395 HydrophobicContact CD2-CZ2 4Å; L323-W395 HydrophobicContact CD2-CZ3 4.19Å; L323-A396 HydrophobicContact CB-CB 3.91Å; L323-A396 HydrophobicContact CD1-CB 3.78Å; L323-A396 HydrophobicContact CG-CB 4.46Å; L323-L399 HydrophobicContact CD1-CD1 3.8Å
324F98.7Very high97.4Very high0 Ų09.4 Ų9.40%05%0.045CC..Hα-helixtrans-78.7-21-175.3-56.9-65.7000113.5W177 A250 L253 C286 R288 W321 P322 C326 Y327 L328W177-F324 HydrophobicContact CH2-CE1 4.14Å; W177-F324 AromaticContact CH2-CZ 3.53Å; W177-F324 HydrophobicContact CH2-CZ 3.53Å; W177-F324 HydrophobicContact CZ2-CE1 4.22Å; W177-F324 AromaticContact CZ2-CZ 3.59Å; W177-F324 HydrophobicContact CZ2-CZ 3.59Å; A250-F324 HydrophobicContact CB-CB 4.45Å; A250-F324 HydrophobicContact CB-CD1 3.52Å; A250-F324 HydrophobicContact CB-CD2 3.7Å; A250-F324 HydrophobicContact CB-CE1 3.47Å; A250-F324 VanDerWaalsContact CB-CE1 3.47Å; A250-F324 HydrophobicContact CB-CE2 3.64Å; A250-F324 HydrophobicContact CB-CG 3.62Å; A250-F324 HydrophobicContact CB-CZ 3.51Å; A250-F324 WeakPolarHBondContact O-CD1 3.29Å; A250-F324 WeakPolarHBondContact O-CE1 3.14Å; L253-F324 HydrophobicContact CD1-CB 4.15Å; L253-F324 HydrophobicContact CD1-CD1 4.14Å; C286-F324 HydrophobicContact CB-CB 3.63Å; C286-F324 HydrophobicContact CB-CD2 3.6Å; C286-F324 HydrophobicContact CB-CE2 4.5Å; C286-F324 HydrophobicContact CB-CG 3.87Å; C286-F324 WeakPolarHBondContact O-CD2 3.27Å; R288-F324 HydrophobicContact CG-CE2 4.23Å; R288-F324 HydrophobicContact CG-CZ 4.39Å; W321-F324 HydrophobicContact CB-CD2 3.71Å; W321-F324 HydrophobicContact CB-CE2 3.66Å; W321-F324 HydrophobicContact CG-CE2 4.15Å; W321-F324 PolarHBondContact O-N 2.74Å; P322-F324 PolarHBondContact O-N 3.24Å; F324-C326 VanDerWaalsContact C-N 3.32Å; F324-Y327 HydrophobicContact CD1-CD2 4.03Å; F324-Y327 PolarHBondContact O-N 2.78Å; F324-L328 WeakPolarHBondContact O-CB 3.39Å; F324-L328 WeakPolarHBondContact O-CD1 3.47Å; F324-L328 VanDerWaalsContact O-CG 3.23Å; F324-L328 WeakPolarHBondContact O-CG 3.41Å; F324-L328 PolarHBondContact O-N 2.98Å
325F98.7Very high97.4Very high0 Ų013.2 Ų13.20%07%0.066CC..Hα-helixtrans-67.2-36164.3-68.8-20.5000111.1Q281 G285 P322 L328 F329 Y344 Y347 L348 V351Q281-F325 HydrophobicContact CG-CE1 3.77Å; Q281-F325 HydrophobicContact CG-CZ 4.47Å; G285-F325 VanDerWaalsContact CA-CZ 3.46Å; G285-F325 VanDerWaalsContact N-CE2 3.25Å; G285-F325 VanDerWaalsContact N-CZ 3.3Å; P322-F325 WeakPolarHBondContact O-CA 3.27Å; P322-F325 WeakPolarHBondContact O-CB 3.37Å; P322-F325 PolarHBondContact O-N 3.03Å; F325-L328 HydrophobicContact CD1-CD1 4.47Å; F325-L328 PolarHBondContact O-N 3.05Å; F325-F329 WeakPolarHBondContact O-CB 3.49Å; F325-F329 PolarHBondContact O-N 3.17Å; F325-Y344 HydrophobicContact CD1-CD1 4.08Å; F325-Y344 HydrophobicContact CD1-CE1 4.26Å; F325-Y347 HydrophobicContact CE1-CD1 4.44Å; F325-Y347 AromaticContact CE2-CD1 3.65Å; F325-Y347 HydrophobicContact CE2-CD1 3.65Å; F325-Y347 HydrophobicContact CE2-CG 4.16Å; F325-Y347 AromaticContact CZ-CD1 3.56Å; F325-Y347 HydrophobicContact CZ-CD1 3.56Å; F325-Y347 HydrophobicContact CZ-CE1 4.24Å; F325-Y347 HydrophobicContact CZ-CG 4.19Å; F325-L348 HydrophobicContact CB-CD2 3.75Å; F325-L348 HydrophobicContact CB-CG 4.09Å; F325-V351 HydrophobicContact CD2-CG1 4.45Å; F325-V351 HydrophobicContact CD2-CG2 4.15Å; F325-V351 HydrophobicContact CE2-CG1 4.22Å
326C98.5Very high97.5Very high0 Ų015.4 Ų15.40%08%0.08CC..Hα-helixtrans-62.2-44.9172.5-52.80000111.3P322 L323 F324 F329 I330 L399P322-C326 PolarHBondContact O-N 3.25Å; L323-C326 VanDerWaalsContact O-CB 3.26Å; L323-C326 WeakPolarHBondContact O-CB 3.33Å; L323-C326 PolarHBondContact O-N 3.23Å; L323-C326 VanDerWaalsContact O-N 3.13Å; F324-C326 VanDerWaalsContact C-N 3.32Å; C326-F329 PolarHBondContact O-N 2.83Å; C326-I330 WeakPolarHBondContact O-CG1 3.38Å; C326-I330 PolarHBondContact O-N 2.71Å; C326-L399 HydrophobicContact CB-CB 3.68Å
327Y98.8Very high97.7Very high5 Ų516.3 Ų16.32%0.028%0.084CC..Hα-helixtrans-59.4-49.7174.3-86.7-71.5000112.6Y42 L253 Y258 L323 F324 F329 I330 D331 W395 L399Y42-Y327 WeakPolarHBondContact CE1-OH 3.45Å; Y42-Y327 PolarHBondContact OH-OH 3.21Å; L253-Y327 HydrophobicContact CB-CD1 4.28Å; L253-Y327 HydrophobicContact CB-CG 4.11Å; Y258-Y327 WeakPolarHBondContact O-CE1 3.2Å; L323-Y327 HydrophobicContact CD1-CD2 4.21Å; L323-Y327 HydrophobicContact CD1-CE2 3.88Å; L323-Y327 HydrophobicContact CD2-CE2 4.34Å; L323-Y327 HydrophobicContact CG-CD2 4.1Å; L323-Y327 HydrophobicContact CG-CE2 3.96Å; L323-Y327 PolarHBondContact O-N 3.15Å; L323-Y327 VanDerWaalsContact O-N 3.11Å; F324-Y327 HydrophobicContact CD1-CD2 4.03Å; F324-Y327 PolarHBondContact O-N 2.78Å; Y327-F329 VanDerWaalsContact C-N 3.27Å; Y327-F329 PolarHBondContact O-N 2.94Å; Y327-I330 PolarHBondContact O-N 3.04Å; Y327-D331 VanDerWaalsContact O-CB 3.25Å; Y327-D331 WeakPolarHBondContact O-CB 3.41Å; Y327-D331 PolarHBondContact O-N 2.7Å; Y327-W395 HydrophobicContact CE2-CZ2 4.04Å; Y327-W395 AromaticContact CE2-NE1 3.86Å; Y327-W395 AromaticContact CZ-NE1 3.8Å; Y327-W395 VanDerWaalsContact OH-CZ2 3.25Å; Y327-W395 WeakPolarHBondContact OH-CZ2 3.5Å; Y327-W395 PolarHBondContact OH-NE1 3.13Å; Y327-L399 HydrophobicContact CD1-CD1 4.15Å; Y327-L399 HydrophobicContact CD2-CD1 3.79Å; Y327-L399 HydrophobicContact CE1-CD1 3.81Å; Y327-L399 HydrophobicContact CE2-CD1 3.44Å; Y327-L399 VanDerWaalsContact CE2-CD1 3.44Å; Y327-L399 HydrophobicContact CG-CD1 4.13Å; Y327-L399 VanDerWaalsContact CZ-CD1 3.43Å
328L98.7Very high97.7Very high1 Ų120.8 Ų20.81%0.00511%0.105CC..Hα-helixtrans-66-31.2-178.6-73.3164.4000112.4L253 V277 F324 F325 A332 Y344L253-L328 HydrophobicContact CD1-CD1 4.43Å; L253-L328 HydrophobicContact CD1-CD2 4.16Å; L253-L328 HydrophobicContact CD1-CG 3.88Å; L253-L328 HydrophobicContact CD2-CD2 3.78Å; L253-L328 HydrophobicContact CD2-CG 4.39Å; V277-L328 HydrophobicContact CG2-CD1 4.44Å; V277-L328 HydrophobicContact CG2-CD2 4.15Å; F324-L328 WeakPolarHBondContact O-CB 3.39Å; F324-L328 WeakPolarHBondContact O-CD1 3.47Å; F324-L328 VanDerWaalsContact O-CG 3.23Å; F324-L328 WeakPolarHBondContact O-CG 3.41Å; F324-L328 PolarHBondContact O-N 2.98Å; F325-L328 HydrophobicContact CD1-CD1 4.47Å; F325-L328 PolarHBondContact O-N 3.05Å; L328-A332 WeakPolarHBondContact O-CB 3.45Å; L328-A332 PolarHBondContact O-N 3.07Å; L328-Y344 HydrophobicContact CB-CD1 3.89Å; L328-Y344 HydrophobicContact CB-CD2 3.73Å; L328-Y344 HydrophobicContact CB-CE1 3.76Å; L328-Y344 HydrophobicContact CB-CE2 3.59Å; L328-Y344 HydrophobicContact CB-CG 3.9Å; L328-Y344 HydrophobicContact CD1-CD1 4.35Å; L328-Y344 HydrophobicContact CD1-CE1 3.59Å; L328-Y344 HydrophobicContact CD2-CE2 4.34Å; L328-Y344 HydrophobicContact CG-CE1 4.21Å; L328-Y344 HydrophobicContact CG-CE2 4.35Å
329F98.6Very high97.8Very high1 Ų126.9 Ų26.90%0.00414%0.138CC..Hα-helixtrans-67.4-50.5173.5-179.2-125000111.6F325 C326 Y327 D331 A332 H333 R345 L348 E407F325-F329 WeakPolarHBondContact O-CB 3.49Å; F325-F329 PolarHBondContact O-N 3.17Å; C326-F329 PolarHBondContact O-N 2.83Å; Y327-F329 VanDerWaalsContact C-N 3.27Å; Y327-F329 PolarHBondContact O-N 2.94Å; F329-D331 VanDerWaalsContact C-N 3.33Å; F329-D331 PolarHBondContact O-N 3.01Å; F329-A332 WeakPolarHBondContact O-CB 3.12Å; F329-A332 PolarHBondContact O-N 3.46Å; F329-H333 AromaticContact CE1-NE2 3.97Å; F329-H333 AromaticContact CE2-CD2 3.9Å; F329-H333 AromaticContact CE2-NE2 3.33Å; F329-H333 VanDerWaalsContact CE2-NE2 3.33Å; F329-H333 WeakPolarHBondContact CE2-NE2 3.21Å; F329-H333 AromaticContact CZ-CD2 3.95Å; F329-H333 AromaticContact CZ-NE2 3.28Å; F329-H333 VanDerWaalsContact CZ-NE2 3.28Å; F329-H333 WeakPolarHBondContact CZ-NE2 3.3Å; F329-H333 PolarHBondContact O-CD2 2.72Å; F329-H333 VanDerWaalsContact O-CD2 3.27Å; F329-H333 PolarHBondContact O-N 3.39Å; F329-R345 HydrophobicContact CD2-CB 4.4Å; F329-R345 HydrophobicContact CE2-CB 3.88Å; F329-R345 HydrophobicContact CZ-CB 4.44Å; F329-L348 HydrophobicContact CB-CD1 3.76Å; F329-L348 HydrophobicContact CD1-CD1 3.74Å; F329-L348 HydrophobicContact CD2-CD1 4.48Å; F329-L348 HydrophobicContact CE1-CD1 4.45Å; F329-L348 HydrophobicContact CG-CD1 3.75Å; F329-E407 HydrophobicContact CZ-CB 4Å; F329-E407 HydrophobicContact CZ-CG 4.28Å
330I98.3Very high97.8Very high0 Ų030.7 Ų30.70%015%0.154CC..Hα-helixtrans-60.6-43.6174.6-70171.5000110.9Y258 C326 Y327 A332 H333 F334 L399 L402 I406Y258-I330 HydrophobicContact CD1-CG2 4.28Å; Y258-I330 HydrophobicContact CG-CG2 4Å; C326-I330 WeakPolarHBondContact O-CG1 3.38Å; C326-I330 PolarHBondContact O-N 2.71Å; Y327-I330 PolarHBondContact O-N 3.04Å; I330-A332 VanDerWaalsContact C-N 3.29Å; I330-A332 PolarHBondContact O-N 3.3Å; I330-H333 WeakPolarHBondContact O-CA 3.37Å; I330-H333 WeakPolarHBondContact O-CB 3.24Å; I330-H333 PolarHBondContact O-N 2.98Å; I330-F334 HydrophobicContact CG2-CD2 3.61Å; I330-F334 HydrophobicContact CG2-CE2 3.56Å; I330-F334 WeakPolarHBondContact O-CD2 3.4Å; I330-F334 PolarHBondContact O-N 3.46Å; I330-L399 HydrophobicContact CD1-CB 4.03Å; I330-L399 HydrophobicContact CD1-CD2 3.89Å; I330-L399 WeakPolarHBondContact CD1-O 3.1Å; I330-L402 HydrophobicContact CD1-CB 4.39Å; I330-L402 HydrophobicContact CD1-CD2 4.3Å; I330-I406 HydrophobicContact CG1-CD1 4.48Å; I330-I406 HydrophobicContact CG2-CD1 4.46Å
331D98.1Very high97.8Very high9 Ų931.2 Ų31.25%0.04816%0.157CC..Hα-helixtrans-57.1-42.3175.8176.974000111.5S257 R273 Y327 F329 H333 F334 N335S257-D331 WeakPolarHBondContact CB-OD1 3.45Å; S257-D331 WeakPolarHBondContact OG-CB 3.39Å; S257-D331 PolarHBondContact OG-OD1 2.97Å; R273-D331 IonicContact CZ-OD1 2.81Å; R273-D331 IonicContact CZ-OD2 2.9Å; R273-D331 IonicContact NE-OD1 2.7Å; R273-D331 IonicContact NE-OD2 3.96Å; R273-D331 PolarHBondContact NE-OD2 2.97Å; R273-D331 IonicContact NH2-OD1 3.68Å; R273-D331 PolarHBondContact NH2-OD1 3.35Å; R273-D331 IonicContact NH2-OD2 3.78Å; R273-D331 PolarHBondContact NH2-OD2 3.36Å; Y327-D331 VanDerWaalsContact O-CB 3.25Å; Y327-D331 WeakPolarHBondContact O-CB 3.41Å; Y327-D331 PolarHBondContact O-N 2.7Å; F329-D331 VanDerWaalsContact C-N 3.33Å; F329-D331 PolarHBondContact O-N 3.01Å; D331-H333 VanDerWaalsContact C-N 3.28Å; D331-H333 PolarHBondContact O-N 3.36Å; D331-F334 PolarHBondContact O-N 3.07Å; D331-N335 WeakPolarHBondContact O-CB 3.44Å; D331-N335 PolarHBondContact O-N 3.4Å; D331-N335 PolarHBondContact O-ND2 2.71Å; D331-N335 PolarHBondContact OD1-ND2 3.23Å; D331-N335 PolarHBondContact OD2-ND2 2.84Å
332A98.2Very high97.8Very high1 Ų137.1 Ų37.11%0.00818%0.183CC..Hα-helixtrans-60.4-39.5175.600000111.8L328 F329 I330 N335 N336 N337 K340 M341L328-A332 WeakPolarHBondContact O-CB 3.45Å; L328-A332 PolarHBondContact O-N 3.07Å; F329-A332 WeakPolarHBondContact O-CB 3.12Å; F329-A332 PolarHBondContact O-N 3.46Å; I330-A332 VanDerWaalsContact C-N 3.29Å; I330-A332 PolarHBondContact O-N 3.3Å; A332-N335 CarbonylContact O-C 3.59Å; A332-N335 PolarHBondContact O-N 3.03Å; A332-N336 PolarHBondContact O-N 3.07Å; A332-N336 VanDerWaalsContact O-N 3.11Å; A332-N337 PolarHBondContact O-N 3.32Å; A332-K340 HydrophobicContact CB-CB 3.67Å; A332-M341 HydrophobicContact CB-CB 4.44Å; A332-M341 HydrophobicContact CB-CG 3.83Å; A332-M341 WeakPolarHBondContact O-CE 3.23Å
333H97.7Very high97.8Very high21 Ų2140.6 Ų40.610%0.09720%0.198CC..Hα-helixtrans-63.3-48.2174.4-78.5-77.1000112.9F329 I330 D331 N335 N336 M341 I406 L413F329-H333 AromaticContact CE1-NE2 3.97Å; F329-H333 AromaticContact CE2-CD2 3.9Å; F329-H333 AromaticContact CE2-NE2 3.33Å; F329-H333 VanDerWaalsContact CE2-NE2 3.33Å; F329-H333 WeakPolarHBondContact CE2-NE2 3.21Å; F329-H333 AromaticContact CZ-CD2 3.95Å; F329-H333 AromaticContact CZ-NE2 3.28Å; F329-H333 VanDerWaalsContact CZ-NE2 3.28Å; F329-H333 WeakPolarHBondContact CZ-NE2 3.3Å; F329-H333 PolarHBondContact O-CD2 2.72Å; F329-H333 VanDerWaalsContact O-CD2 3.27Å; F329-H333 PolarHBondContact O-N 3.39Å; I330-H333 WeakPolarHBondContact O-CA 3.37Å; I330-H333 WeakPolarHBondContact O-CB 3.24Å; I330-H333 PolarHBondContact O-N 2.98Å; D331-H333 VanDerWaalsContact C-N 3.28Å; D331-H333 PolarHBondContact O-N 3.36Å; H333-N335 PolarHBondContact O-N 3.44Å; H333-N336 PolarHBondContact O-N 2.75Å; H333-M341 HydrophobicContact CB-CE 4.49Å; H333-I406 HydrophobicContact CB-CG2 3.68Å; H333-L413 HydrophobicContact CB-CD2 4.45Å
334F96.2Very high97.8Very high29 Ų2940.8 Ų40.813%0.12720%0.199CC..Hα-helixtrans-61.1-32177-83.7-80000113.2Y258 F261 I330 D331 L413 R422Y258-F334 AromaticContact CD2-CE2 3.64Å; Y258-F334 HydrophobicContact CD2-CE2 3.64Å; Y258-F334 AromaticContact CD2-CZ 3.74Å; Y258-F334 HydrophobicContact CD2-CZ 3.74Å; Y258-F334 HydrophobicContact CE2-CZ 4.46Å; Y258-F334 AromaticContact CG-CE2 3.97Å; Y258-F334 HydrophobicContact CG-CE2 3.97Å; F261-F334 HydrophobicContact CE1-CB 4.35Å; F261-F334 HydrophobicContact CE1-CD1 4.05Å; F261-F334 HydrophobicContact CE1-CD2 4.5Å; F261-F334 HydrophobicContact CE1-CE1 4.49Å; F261-F334 HydrophobicContact CE1-CG 4.06Å; F261-F334 HydrophobicContact CE2-CE1 4.22Å; F261-F334 HydrophobicContact CE2-CZ 4.35Å; F261-F334 AromaticContact CZ-CD1 3.6Å; F261-F334 HydrophobicContact CZ-CD1 3.6Å; F261-F334 AromaticContact CZ-CD2 3.98Å; F261-F334 HydrophobicContact CZ-CD2 3.98Å; F261-F334 AromaticContact CZ-CE1 3.61Å; F261-F334 HydrophobicContact CZ-CE1 3.61Å; F261-F334 AromaticContact CZ-CE2 4Å; F261-F334 HydrophobicContact CZ-CE2 4Å; F261-F334 AromaticContact CZ-CG 3.79Å; F261-F334 HydrophobicContact CZ-CG 3.79Å; F261-F334 AromaticContact CZ-CZ 3.82Å; F261-F334 HydrophobicContact CZ-CZ 3.82Å; I330-F334 HydrophobicContact CG2-CD2 3.61Å; I330-F334 HydrophobicContact CG2-CE2 3.56Å; I330-F334 WeakPolarHBondContact O-CD2 3.4Å; I330-F334 PolarHBondContact O-N 3.46Å; D331-F334 PolarHBondContact O-N 3.07Å; F334-L413 HydrophobicContact CD1-CB 4.24Å; F334-L413 HydrophobicContact CD1-CD1 4.11Å; F334-L413 HydrophobicContact CD1-CD2 4.15Å; F334-L413 HydrophobicContact CD1-CG 4.41Å; F334-L413 HydrophobicContact CD2-CD2 4.11Å; F334-L413 HydrophobicContact CE1-CB 3.84Å; F334-L413 HydrophobicContact CE1-CD1 4.49Å; F334-L413 HydrophobicContact CE1-CD2 3.95Å; F334-L413 HydrophobicContact CE1-CG 4.31Å; F334-L413 HydrophobicContact CE2-CD2 3.89Å; F334-L413 HydrophobicContact CG-CD1 4.39Å; F334-L413 HydrophobicContact CG-CD2 4.23Å; F334-L413 HydrophobicContact CZ-CB 4.35Å; F334-L413 HydrophobicContact CZ-CD2 3.81Å; F334-R422 HydrophobicContact CD1-CB 4.16Å; F334-R422 HydrophobicContact CE1-CB 4.45Å
335N94.6Very high97.7Very high80 Ų8043.2 Ų43.243%0.42821%0.208SC..THydrogen-bonded Turntrans-88.53.5176.5-69.1-72.4000114.1D331 A332 H333 N337D331-N335 WeakPolarHBondContact O-CB 3.44Å; D331-N335 PolarHBondContact O-N 3.4Å; D331-N335 PolarHBondContact O-ND2 2.71Å; D331-N335 PolarHBondContact OD1-ND2 3.23Å; D331-N335 PolarHBondContact OD2-ND2 2.84Å; A332-N335 CarbonylContact O-C 3.59Å; A332-N335 PolarHBondContact O-N 3.03Å; H333-N335 PolarHBondContact O-N 3.44Å; N335-N337 HydrophobicContact CB-CB 4.49Å; N335-N337 PolarHBondContact O-N 3.07Å; N335-N337 VanDerWaalsContact O-N 3.12Å
336N95.5Very high97.7Very high117 Ų11747.7 Ų47.763%0.62623%0.232SC*.THydrogen-bonded Turntrans48.935.7-173.3-167.225.3000113.8A332 H333 Q338A332-N336 PolarHBondContact O-N 3.07Å; A332-N336 VanDerWaalsContact O-N 3.11Å; H333-N336 PolarHBondContact O-N 2.75Å; N336-Q338 PolarHBondContact O-N 2.83Å; N336-Q338 PolarHBondContact OD1-NE2 3.11Å; N336-Q338 VanDerWaalsContact OD1-NE2 3.09Å
337N97.2Very high97.6Very high65 Ų6550.7 Ų50.735%0.34824%0.244SC..  trans-9392.1-177.7-172.1-34.1000110.8A332 N335 D339 K340 M341A332-N337 PolarHBondContact O-N 3.32Å; N335-N337 HydrophobicContact CB-CB 4.49Å; N335-N337 PolarHBondContact O-N 3.07Å; N335-N337 VanDerWaalsContact O-N 3.12Å; N337-D339 VanDerWaalsContact C-N 3.3Å; N337-D339 PolarHBondContact O-N 2.8Å; N337-D339 PolarHBondContact OD1-N 3.28Å; N337-K340 HydrophobicContact CB-CB 4.09Å; N337-K340 HydrophobicContact CB-CG 4.39Å; N337-K340 WeakPolarHBondContact ND2-CG 3.39Å; N337-K340 PolarHBondContact O-N 3Å; N337-K340 WeakPolarHBondContact OD1-CG 3.44Å; N337-K340 PolarHBondContact OD1-N 2.9Å; N337-M341 VanDerWaalsContact O-CG 3.28Å; N337-M341 WeakPolarHBondContact O-CG 3.42Å; N337-M341 PolarHBondContact O-N 2.99Å
338Q97.3Very high97.6Very high97 Ų9750.4 Ų50.445%0.45324%0.243SC..Hα-helixtrans-59.1-37.1-175.9-62-62-4100113.7N336 K342N336-Q338 PolarHBondContact O-N 2.83Å; N336-Q338 PolarHBondContact OD1-NE2 3.11Å; N336-Q338 VanDerWaalsContact OD1-NE2 3.09Å; Q338-K342 WeakPolarHBondContact O-CG 3.32Å; Q338-K342 PolarHBondContact O-N 2.62Å
339D98.1Very high97.4Very high129 Ų12953.2 Ų53.269%0.6926%0.258SS*.Hα-helixtrans-68.2-42.9179.3-66.8-28.1000110.8N337 F343N337-D339 VanDerWaalsContact C-N 3.3Å; N337-D339 PolarHBondContact O-N 2.8Å; N337-D339 PolarHBondContact OD1-N 3.28Å; D339-F343 VanDerWaalsContact O-CB 3.23Å; D339-F343 WeakPolarHBondContact O-CB 3.06Å; D339-F343 PolarHBondContact O-N 3.03Å
340K97.9Very high97.3Very high81 Ų8160.4 Ų60.435%0.35229%0.289SS..Hα-helixtrans-70.7-35.7177.1-69.4-65.4-167.7170.80112.7A332 N337 F343 Y344A332-K340 HydrophobicContact CB-CB 3.67Å; N337-K340 HydrophobicContact CB-CB 4.09Å; N337-K340 HydrophobicContact CB-CG 4.39Å; N337-K340 WeakPolarHBondContact ND2-CG 3.39Å; N337-K340 PolarHBondContact O-N 3Å; N337-K340 WeakPolarHBondContact OD1-CG 3.44Å; N337-K340 PolarHBondContact OD1-N 2.9Å; K340-F343 PolarHBondContact O-N 3.5Å; K340-Y344 HydrophobicContact CB-CD2 4.29Å; K340-Y344 HydrophobicContact CB-CE2 4.23Å; K340-Y344 HydrophobicContact CD-CE2 3.87Å; K340-Y344 WeakPolarHBondContact O-CD2 3.44Å; K340-Y344 PolarHBondContact O-N 3.12Å
341M98.2Very high97.2Very high13 Ų1360.4 Ų60.46%0.06429%0.289CS..Hα-helixtrans-56.2-55173.2-69.4167-16400110A332 H333 N337 F343 Y344 R345A332-M341 HydrophobicContact CB-CB 4.44Å; A332-M341 HydrophobicContact CB-CG 3.83Å; A332-M341 WeakPolarHBondContact O-CE 3.23Å; H333-M341 HydrophobicContact CB-CE 4.49Å; N337-M341 VanDerWaalsContact O-CG 3.28Å; N337-M341 WeakPolarHBondContact O-CG 3.42Å; N337-M341 PolarHBondContact O-N 2.99Å; M341-F343 VanDerWaalsContact C-N 3.33Å; M341-F343 PolarHBondContact O-N 2.83Å; M341-Y344 PolarHBondContact O-N 3.33Å; M341-R345 VanDerWaalsContact O-CB 3.25Å; M341-R345 WeakPolarHBondContact O-CB 3.24Å; M341-R345 PolarHBondContact O-N 3.33Å
342K97.9Very high97.1Very high130 Ų13061 Ų6157%0.56529%0.292SS*.Hα-helixtrans-61.9-41.3178.3-68.6175-174.9173.70112.2Q338 N346Q338-K342 WeakPolarHBondContact O-CG 3.32Å; Q338-K342 PolarHBondContact O-N 2.62Å; K342-N346 WeakPolarHBondContact O-CB 3.32Å; K342-N346 PolarHBondContact O-N 3.24Å; K342-N346 PolarHBondContact O-ND2 2.9Å; K342-N346 VanDerWaalsContact O-ND2 3.1Å
343F98Very high96.8Very high73 Ų7362.9 Ų62.932%0.3230%0.302SS..Hα-helixtrans-58.7-55.5178.7-177.8-92000110.9D339 K340 M341 N346 Y347D339-F343 VanDerWaalsContact O-CB 3.23Å; D339-F343 WeakPolarHBondContact O-CB 3.06Å; D339-F343 PolarHBondContact O-N 3.03Å; K340-F343 PolarHBondContact O-N 3.5Å; M341-F343 VanDerWaalsContact C-N 3.33Å; M341-F343 PolarHBondContact O-N 2.83Å; F343-N346 PolarHBondContact O-N 2.84Å; F343-Y347 HydrophobicContact CD1-CD2 4.2Å; F343-Y347 HydrophobicContact CD1-CE2 4.33Å; F343-Y347 HydrophobicContact CD2-CE2 4.24Å; F343-Y347 AromaticContact CE1-CD2 3.88Å; F343-Y347 HydrophobicContact CE1-CD2 3.88Å; F343-Y347 AromaticContact CE1-CE2 3.69Å; F343-Y347 HydrophobicContact CE1-CE2 3.69Å; F343-Y347 HydrophobicContact CE2-CD2 4.33Å; F343-Y347 AromaticContact CE2-CE2 3.6Å; F343-Y347 HydrophobicContact CE2-CE2 3.6Å; F343-Y347 AromaticContact CZ-CD2 3.95Å; F343-Y347 HydrophobicContact CZ-CD2 3.95Å; F343-Y347 AromaticContact CZ-CE2 3.27Å; F343-Y347 HydrophobicContact CZ-CE2 3.27Å; F343-Y347 AromaticContact CZ-CZ 3.87Å; F343-Y347 WeakPolarHBondContact O-CD2 2.91Å; F343-Y347 PolarHBondContact O-N 2.77Å
344Y98.4Very high96.4Very high5 Ų568.6 Ų68.62%0.0233%0.329CS..Hα-helixtrans-72.3-31.3-177.7-68.2-61.4000112.9Q281 F325 L328 K340 M341 N346 Y347 L348Q281-Y344 PolarHBondContact OE1-OH 3.03Å; Q281-Y344 VanDerWaalsContact OE1-OH 3.11Å; F325-Y344 HydrophobicContact CD1-CD1 4.08Å; F325-Y344 HydrophobicContact CD1-CE1 4.26Å; L328-Y344 HydrophobicContact CB-CD1 3.89Å; L328-Y344 HydrophobicContact CB-CD2 3.73Å; L328-Y344 HydrophobicContact CB-CE1 3.76Å; L328-Y344 HydrophobicContact CB-CE2 3.59Å; L328-Y344 HydrophobicContact CB-CG 3.9Å; L328-Y344 HydrophobicContact CD1-CD1 4.35Å; L328-Y344 HydrophobicContact CD1-CE1 3.59Å; L328-Y344 HydrophobicContact CD2-CE2 4.34Å; L328-Y344 HydrophobicContact CG-CE1 4.21Å; L328-Y344 HydrophobicContact CG-CE2 4.35Å; K340-Y344 HydrophobicContact CB-CD2 4.29Å; K340-Y344 HydrophobicContact CB-CE2 4.23Å; K340-Y344 HydrophobicContact CD-CE2 3.87Å; K340-Y344 WeakPolarHBondContact O-CD2 3.44Å; K340-Y344 PolarHBondContact O-N 3.12Å; M341-Y344 PolarHBondContact O-N 3.33Å; Y344-N346 PolarHBondContact O-N 2.67Å; Y344-Y347 PolarHBondContact O-N 3.38Å; Y344-L348 WeakPolarHBondContact O-CB 3.14Å; Y344-L348 WeakPolarHBondContact O-CG 3.44Å; Y344-L348 PolarHBondContact O-N 2.93Å
345R97.6Very high95.8Very high51 Ų5170.2 Ų70.219%0.19234%0.338CS..Hα-helixtrans-57.3-47.8169.8178.863.9-166.4-130.81.7111.7F329 M341 Y347 L348 D349 E407F329-R345 HydrophobicContact CD2-CB 4.4Å; F329-R345 HydrophobicContact CE2-CB 3.88Å; F329-R345 HydrophobicContact CZ-CB 4.44Å; M341-R345 VanDerWaalsContact O-CB 3.25Å; M341-R345 WeakPolarHBondContact O-CB 3.24Å; M341-R345 PolarHBondContact O-N 3.33Å; R345-Y347 VanDerWaalsContact C-N 3.28Å; R345-Y347 PolarHBondContact O-N 3.28Å; R345-L348 WeakPolarHBondContact O-CB 3.43Å; R345-L348 PolarHBondContact O-N 3.38Å; R345-D349 IonicContact CZ-OD2 3.91Å; R345-D349 IonicContact NE-OD1 3.34Å; R345-D349 IonicContact NE-OD2 3.75Å; R345-D349 PolarHBondContact NE-OD2 2.71Å; R345-D349 IonicContact NH2-OD1 3.63Å; R345-D349 IonicContact NH2-OD2 3.93Å; R345-D349 PolarHBondContact O-N 3.32Å; R345-E407 IonicContact CZ-OE2 3.84Å; R345-E407 IonicContact NE-OE2 3.89Å; R345-E407 IonicContact NH1-OE2 3.57Å; R345-E407 PolarHBondContact NH1-OE2 3.08Å
346N97.7Very high95Very high94 Ų9474.6 Ų74.650%0.50336%0.356SS..Hα-helixtrans-63.7-31177.9-73.3-29.9000113.3K342 F343 Y344 K350K342-N346 WeakPolarHBondContact O-CB 3.32Å; K342-N346 PolarHBondContact O-N 3.24Å; K342-N346 PolarHBondContact O-ND2 2.9Å; K342-N346 VanDerWaalsContact O-ND2 3.1Å; F343-N346 PolarHBondContact O-N 2.84Å; Y344-N346 PolarHBondContact O-N 2.67Å; N346-K350 WeakPolarHBondContact O-CG 3.4Å
347Y97.2Very high93.9Very high62 Ų6276.4 Ų76.424%0.24337%0.366CS..Hα-helixtrans-75.5-41.9173.5-89.7-98.1000111.5F325 F343 Y344 R345 D349 K350 V351F325-Y347 HydrophobicContact CE1-CD1 4.44Å; F325-Y347 AromaticContact CE2-CD1 3.65Å; F325-Y347 HydrophobicContact CE2-CD1 3.65Å; F325-Y347 HydrophobicContact CE2-CG 4.16Å; F325-Y347 AromaticContact CZ-CD1 3.56Å; F325-Y347 HydrophobicContact CZ-CD1 3.56Å; F325-Y347 HydrophobicContact CZ-CE1 4.24Å; F325-Y347 HydrophobicContact CZ-CG 4.19Å; F343-Y347 HydrophobicContact CD1-CD2 4.2Å; F343-Y347 HydrophobicContact CD1-CE2 4.33Å; F343-Y347 HydrophobicContact CD2-CE2 4.24Å; F343-Y347 AromaticContact CE1-CD2 3.88Å; F343-Y347 HydrophobicContact CE1-CD2 3.88Å; F343-Y347 AromaticContact CE1-CE2 3.69Å; F343-Y347 HydrophobicContact CE1-CE2 3.69Å; F343-Y347 HydrophobicContact CE2-CD2 4.33Å; F343-Y347 AromaticContact CE2-CE2 3.6Å; F343-Y347 HydrophobicContact CE2-CE2 3.6Å; F343-Y347 AromaticContact CZ-CD2 3.95Å; F343-Y347 HydrophobicContact CZ-CD2 3.95Å; F343-Y347 AromaticContact CZ-CE2 3.27Å; F343-Y347 HydrophobicContact CZ-CE2 3.27Å; F343-Y347 AromaticContact CZ-CZ 3.87Å; F343-Y347 WeakPolarHBondContact O-CD2 2.91Å; F343-Y347 PolarHBondContact O-N 2.77Å; Y344-Y347 PolarHBondContact O-N 3.38Å; R345-Y347 VanDerWaalsContact C-N 3.28Å; R345-Y347 PolarHBondContact O-N 3.28Å; Y347-D349 VanDerWaalsContact C-N 3.33Å; Y347-D349 PolarHBondContact O-N 3.22Å; Y347-K350 WeakPolarHBondContact O-CB 3.32Å; Y347-K350 PolarHBondContact O-N 2.99Å; Y347-V351 WeakPolarHBondContact O-CG2 3.16Å; Y347-V351 PolarHBondContact O-N 3.03Å
348L97.5Very high93.1Very high0 Ų074.8 Ų74.80%037%0.365CS..Hα-helixtrans-56.4-47.2174-76.4169000111.1F325 F329 Y344 R345 K350 V351 V352 I362 Y400F325-L348 HydrophobicContact CB-CD2 3.75Å; F325-L348 HydrophobicContact CB-CG 4.09Å; F329-L348 HydrophobicContact CB-CD1 3.76Å; F329-L348 HydrophobicContact CD1-CD1 3.74Å; F329-L348 HydrophobicContact CD2-CD1 4.48Å; F329-L348 HydrophobicContact CE1-CD1 4.45Å; F329-L348 HydrophobicContact CG-CD1 3.75Å; Y344-L348 WeakPolarHBondContact O-CB 3.14Å; Y344-L348 WeakPolarHBondContact O-CG 3.44Å; Y344-L348 PolarHBondContact O-N 2.93Å; R345-L348 WeakPolarHBondContact O-CB 3.43Å; R345-L348 PolarHBondContact O-N 3.38Å; L348-K350 PolarHBondContact O-N 3.07Å; L348-V351 HydrophobicContact CD2-CG2 4.47Å; L348-V351 WeakPolarHBondContact O-CG2 3.05Å; L348-V351 PolarHBondContact O-N 3.33Å; L348-V352 WeakPolarHBondContact O-CG1 3.47Å; L348-V352 WeakPolarHBondContact O-CG2 3.48Å; L348-V352 PolarHBondContact O-N 3.28Å; L348-I362 HydrophobicContact CD2-CD1 4.26Å; L348-Y400 HydrophobicContact CB-CE2 4.32Å; L348-Y400 HydrophobicContact CD1-CD2 4.23Å; L348-Y400 HydrophobicContact CD1-CE2 4.44Å; L348-Y400 HydrophobicContact CD2-CD2 4.22Å
349D95.6Very high92.5Very high60 Ų6070.9 Ų70.932%0.32135%0.347SS..Hα-helixtrans-61.5-17.1177.8-78.2-42.7000113.8R345 Y347 K360R345-D349 IonicContact CZ-OD2 3.91Å; R345-D349 IonicContact NE-OD1 3.34Å; R345-D349 IonicContact NE-OD2 3.75Å; R345-D349 PolarHBondContact NE-OD2 2.71Å; R345-D349 IonicContact NH2-OD1 3.63Å; R345-D349 IonicContact NH2-OD2 3.93Å; R345-D349 PolarHBondContact O-N 3.32Å; Y347-D349 VanDerWaalsContact C-N 3.33Å; Y347-D349 PolarHBondContact O-N 3.22Å; D349-K360 IonicContact OD1-NZ 2.98Å; D349-K360 PolarHBondContact OD1-NZ 2.87Å; D349-K360 VanDerWaalsContact OD1-NZ 3.17Å
350K95.7Very high92.1Very high151 Ų15168.3 Ų68.366%0.65733%0.33SS*.Hα-helixtrans-91.9-21.3174.5-66.7171.1-173.8176.90114N346 Y347 L348N346-K350 WeakPolarHBondContact O-CG 3.4Å; Y347-K350 WeakPolarHBondContact O-CB 3.32Å; Y347-K350 PolarHBondContact O-N 2.99Å; L348-K350 PolarHBondContact O-N 3.07Å
351V96.6Very high91.8Very high1 Ų164.5 Ų64.51%0.00631%0.313CS..Hα-helixtrans-110.6-12.1-175.3-55.40000113.2Y284 P322 F325 Y347 L348 P363 Y366Y284-V351 HydrophobicContact CD1-CG1 4.43Å; P322-V351 HydrophobicContact CB-CB 4.46Å; P322-V351 HydrophobicContact CB-CG2 3.92Å; P322-V351 HydrophobicContact CG-CB 4.37Å; P322-V351 HydrophobicContact CG-CG2 4.37Å; F325-V351 HydrophobicContact CD2-CG1 4.45Å; F325-V351 HydrophobicContact CD2-CG2 4.15Å; F325-V351 HydrophobicContact CE2-CG1 4.22Å; Y347-V351 WeakPolarHBondContact O-CG2 3.16Å; Y347-V351 PolarHBondContact O-N 3.03Å; L348-V351 HydrophobicContact CD2-CG2 4.47Å; L348-V351 WeakPolarHBondContact O-CG2 3.05Å; L348-V351 PolarHBondContact O-N 3.33Å; V351-P363 WeakPolarHBondContact O-CD 3.48Å; V351-Y366 WeakPolarHBondContact CA-OH 3.39Å; V351-Y366 HydrophobicContact CB-CE2 3.92Å; V351-Y366 HydrophobicContact CG1-CE2 4.43Å; V351-Y366 PolarHBondContact O-OH 3.5Å
352V95.1Very high91.6Very high20 Ų2063.9 Ų63.912%0.12131%0.31CS..  trans-66.1143.2165.3-69.50000109.5L348 K360 I362 Y400L348-V352 WeakPolarHBondContact O-CG1 3.47Å; L348-V352 WeakPolarHBondContact O-CG2 3.48Å; L348-V352 PolarHBondContact O-N 3.28Å; V352-K360 HydrophobicContact CB-CB 4.29Å; V352-K360 HydrophobicContact CG2-CD 4.15Å; V352-K360 HydrophobicContact CG2-CG 4.47Å; V352-I362 HydrophobicContact CB-CD1 4.43Å; V352-I362 HydrophobicContact CG1-CD1 3.36Å; V352-I362 HydrophobicContact CG1-CG1 4.44Å; V352-Y400 HydrophobicContact CG1-CD2 4.46Å; V352-Y400 HydrophobicContact CG1-CE1 4.32Å; V352-Y400 HydrophobicContact CG1-CE2 3.88Å
353I93Very high91.4Very high42 Ų4257.7 Ų57.722%0.21528%0.283CS..EExtended strand (participates in β ladder)trans-109.8129175-59.4171000107.4V361 P363 A387 K391I353-V361 HydrophobicContact CB-CG2 4.18Å; I353-V361 PolarHBondContact N-O 2.86Å; I353-V361 WeakPolarHBondContact O-CG2 3.35Å; I353-V361 PolarHBondContact O-N 2.67Å; I353-P363 HydrophobicContact CD1-CB 3.94Å; I353-P363 HydrophobicContact CD1-CG 3.82Å; I353-P363 HydrophobicContact CG1-CG 4.41Å; I353-A387 HydrophobicContact CD1-CB 3.41Å; I353-A387 VanDerWaalsContact CD1-CB 3.41Å; I353-K391 HydrophobicContact CD1-CD 3.86Å
354E89.5Confident91.3Very high141 Ų14154.9 Ų54.966%0.65927%0.271SS*.EExtended strand (participates in β ladder)trans-80.6121.8169.8-164.7172.8158.200108.9G358 L359E354-G358 WeakPolarHBondContact OE1-CA 3.25Å; E354-L359 WeakPolarHBondContact CA-O 3.47Å
355I83.9Confident91.1Very high63 Ų6354.7 Ų54.732%0.32327%0.27SS..  trans-100.6-175.4173.357.3163.1000110.2G358 L359 V361I355-G358 PolarHBondContact O-N 2.87Å; I355-L359 HydrophobicContact CD1-CB 4.12Å; I355-L359 HydrophobicContact CG1-CB 3.81Å; I355-L359 VanDerWaalsContact CG1-O 3.29Å; I355-L359 WeakPolarHBondContact CG1-O 3.33Å; I355-L359 PolarHBondContact N-O 3.06Å; I355-V361 HydrophobicContact CD1-CG1 3.66Å; I355-V361 HydrophobicContact CG1-CG1 4.01Å; I355-V361 HydrophobicContact CG1-CG2 4.39Å; I355-V361 HydrophobicContact CG2-CG2 3.53Å
356E76.9Confident91.1Very high171 Ų17153.1 Ų53.180%0.79926%0.264SS*.G310 helixtrans-49145.3173.3-62.4179.9-179.300110.9G358E356-G358 VanDerWaalsContact C-N 3.26Å; E356-G358 PolarHBondContact O-N 3.45Å
357D73.7Confident91.1Very high155 Ų15549 Ų4983%0.82924%0.243SC*.G310 helixtrans67.910.5-174.6-51.6-39.6000116.5L359D357-L359 VanDerWaalsContact C-N 3.29Å; D357-L359 PolarHBondContact O-N 3.26Å
358G80.2Confident91.1Very high32 Ų3246.3 Ų46.333%0.3323%0.232SC..G310 helixtrans78.712.1176.200000114E354 I355 E356E354-G358 WeakPolarHBondContact OE1-CA 3.25Å; I355-G358 PolarHBondContact O-N 2.87Å; E356-G358 VanDerWaalsContact C-N 3.26Å; E356-G358 PolarHBondContact O-N 3.45Å
359L84.7Confident91Very high15 Ų1546.8 Ų46.88%0.07924%0.236CC..  trans-72.7133.2178.7-64.7177.7000110.7N7 A10 L11 T14 E354 I355 D357N7-L359 HydrophobicContact CB-CD2 4.45Å; A10-L359 HydrophobicContact CB-CD1 4.4Å; A10-L359 HydrophobicContact CB-CD2 3.91Å; L11-L359 HydrophobicContact CD1-CB 4.16Å; T14-L359 HydrophobicContact CG2-CD1 3.78Å; E354-L359 WeakPolarHBondContact CA-O 3.47Å; I355-L359 HydrophobicContact CD1-CB 4.12Å; I355-L359 HydrophobicContact CG1-CB 3.81Å; I355-L359 VanDerWaalsContact CG1-O 3.29Å; I355-L359 WeakPolarHBondContact CG1-O 3.33Å; I355-L359 PolarHBondContact N-O 3.06Å; D357-L359 VanDerWaalsContact C-N 3.29Å; D357-L359 PolarHBondContact O-N 3.26Å
360K89.8Confident90.9Very high75 Ų7550.2 Ų50.233%0.32625%0.25SS..EExtended strand (participates in β ladder)trans-91.8113.2177.3-69.7-177.6173.3-173.70110.8D349 V352 Q397 Y400D349-K360 IonicContact OD1-NZ 2.98Å; D349-K360 PolarHBondContact OD1-NZ 2.87Å; D349-K360 VanDerWaalsContact OD1-NZ 3.17Å; V352-K360 HydrophobicContact CB-CB 4.29Å; V352-K360 HydrophobicContact CG2-CD 4.15Å; V352-K360 HydrophobicContact CG2-CG 4.47Å; K360-Q397 PolarHBondContact O-NE2 3.18Å; K360-Q397 VanDerWaalsContact O-NE2 3.17Å; K360-Y400 HydrophobicContact CB-CE1 4.35Å
361V91.2Very high90.8Very high0 Ų050.2 Ų50.20%025%0.253CS..EExtended strand (participates in β ladder)trans-110.7145.8177.4-62.90000112.2L11 I353 I355 K391 P392 Q397L11-V361 HydrophobicContact CD1-CG1 3.88Å; I353-V361 HydrophobicContact CB-CG2 4.18Å; I353-V361 PolarHBondContact N-O 2.86Å; I353-V361 WeakPolarHBondContact O-CG2 3.35Å; I353-V361 PolarHBondContact O-N 2.67Å; I355-V361 HydrophobicContact CD1-CG1 3.66Å; I355-V361 HydrophobicContact CG1-CG1 4.01Å; I355-V361 HydrophobicContact CG1-CG2 4.39Å; I355-V361 HydrophobicContact CG2-CG2 3.53Å; V361-K391 HydrophobicContact CG2-CB 4.14Å; V361-P392 HydrophobicContact CB-CB 4Å; V361-P392 HydrophobicContact CG1-CB 4.01Å; V361-P392 HydrophobicContact CG1-CG 4.4Å; V361-Q397 VanDerWaalsContact CA-OE1 3.24Å
362I93.2Very high90.8Very high0 Ų052.6 Ų52.60%027%0.265CS..  trans-94.2119.4173.6-58.3-70.4000108.5P322 L348 V352 F393 A396 Y400P322-I362 HydrophobicContact CB-CG2 3.67Å; P322-I362 HydrophobicContact CG-CG2 4.38Å; L348-I362 HydrophobicContact CD2-CD1 4.26Å; V352-I362 HydrophobicContact CB-CD1 4.43Å; V352-I362 HydrophobicContact CG1-CD1 3.36Å; V352-I362 HydrophobicContact CG1-CG1 4.44Å; I362-F393 PolarHBondContact O-N 2.68Å; I362-A396 HydrophobicContact CB-CB 4.17Å; I362-A396 HydrophobicContact CG2-CB 3.54Å; I362-Y400 HydrophobicContact CD1-CD2 4.03Å; I362-Y400 HydrophobicContact CD1-CG 4.02Å; I362-Y400 HydrophobicContact CG1-CD1 4.25Å; I362-Y400 HydrophobicContact CG1-CD2 4.38Å; I362-Y400 HydrophobicContact CG1-CG 3.87Å
363P94.3Very high90.8Very high0 Ų051.7 Ų51.70%026%0.26CS..  trans-69.9158.3172.332.2-35.7000110.6P322 V351 I353 L365 Y366 A387 K391P322-P363 HydrophobicContact CG-CG 4.23Å; V351-P363 WeakPolarHBondContact O-CD 3.48Å; I353-P363 HydrophobicContact CD1-CB 3.94Å; I353-P363 HydrophobicContact CD1-CG 3.82Å; I353-P363 HydrophobicContact CG1-CG 4.41Å; P363-L365 PolarHBondContact O-N 3.35Å; P363-Y366 HydrophobicContact CG-CD2 4.15Å; P363-Y366 HydrophobicContact CG-CE2 3.47Å; P363-Y366 VanDerWaalsContact CG-CE2 3.47Å; P363-A387 HydrophobicContact CB-CB 3.79Å; P363-A387 HydrophobicContact CG-CB 3.8Å; P363-K391 HydrophobicContact CB-CB 4.39Å
364K94.5Very high90.8Very high15 Ų1554.5 Ų54.57%0.06528%0.275CS..SBendtrans-60.2-48.2178.5-176.2177174.2-172.70111.6Y294 W321 T390 F393Y294-K364 PolarHBondContact OH-NZ 3.09Å; W321-K364 HydrophobicContact CE3-CG 4.23Å; W321-K364 HydrophobicContact CH2-CD 4.39Å; W321-K364 VanDerWaalsContact CH2-CE 3.49Å; W321-K364 HydrophobicContact CH2-CG 4.04Å; W321-K364 HydrophobicContact CZ3-CD 4.38Å; W321-K364 HydrophobicContact CZ3-CG 3.63Å; K364-T390 HydrophobicContact CB-CG2 3.85Å; K364-T390 HydrophobicContact CD-CG2 4Å; K364-T390 PolarHBondContact N-O 2.96Å; K364-F393 VanDerWaalsContact CA-CB 3.47Å; K364-F393 HydrophobicContact CB-CB 3.82Å; K364-F393 HydrophobicContact CB-CD1 4.28Å; K364-F393 HydrophobicContact CB-CD2 4.46Å; K364-F393 HydrophobicContact CB-CG 3.95Å; K364-F393 HydrophobicContact CG-CB 4.4Å; K364-F393 HydrophobicContact CG-CD1 4.05Å; K364-F393 HydrophobicContact CG-CD2 4.19Å; K364-F393 HydrophobicContact CG-CE1 4.39Å; K364-F393 HydrophobicContact CG-CG 3.96Å
365L95.9Very high91.1Very high0 Ų049.6 Ų49.60%026%0.259CS..  trans-157.4161.4-176.254.179.9000111.8Y294 E295 C319 E320 W321 P363 V367 N388Y294-L365 HydrophobicContact CD1-CD2 4.08Å; Y294-L365 HydrophobicContact CE1-CD2 3.91Å; E295-L365 HydrophobicContact CB-CD1 4.46Å; E295-L365 HydrophobicContact CB-CD2 4.03Å; E295-L365 HydrophobicContact CG-CD2 4.13Å; C319-L365 HydrophobicContact CB-CB 4.38Å; C319-L365 HydrophobicContact CB-CD1 4.39Å; C319-L365 HydrophobicContact CB-CD2 4.39Å; E320-L365 CarbonylContact O-C 3.59Å; E320-L365 WeakPolarHBondContact O-CA 3.46Å; W321-L365 HydrophobicContact CD2-CB 4.12Å; W321-L365 HydrophobicContact CG-CB 4.28Å; W321-L365 HydrophobicContact CH2-CD2 4.3Å; W321-L365 HydrophobicContact CZ2-CD2 3.77Å; P363-L365 PolarHBondContact O-N 3.35Å; L365-V367 HydrophobicContact CD1-CB 4.43Å; L365-V367 HydrophobicContact CD1-CG2 3.08Å; L365-N388 HydrophobicContact CD1-CB 3.77Å; L365-N388 HydrophobicContact CG-CB 4.49Å; L365-N388 PolarHBondContact O-N 3.01Å; L365-N388 PolarHBondContact O-OD1 3.25Å
366Y97.8Very high91.6Very high18 Ų1846.6 Ų46.67%0.07124%0.243CC..EExtended strand (participates in β ladder)trans-107.4124.9170.4-81.6-99.5000109.5Y284 C319 E320 P322 V351 P363 R385 Y386 A387Y284-Y366 AromaticContact CD1-CD1 3.32Å; Y284-Y366 HydrophobicContact CD1-CD1 3.32Å; Y284-Y366 HydrophobicContact CD1-CD2 4.34Å; Y284-Y366 AromaticContact CD1-CE1 3.5Å; Y284-Y366 HydrophobicContact CD1-CE1 3.5Å; Y284-Y366 VanDerWaalsContact CD1-CE1 3.5Å; Y284-Y366 HydrophobicContact CD1-CE2 4.48Å; Y284-Y366 AromaticContact CD1-CG 3.79Å; Y284-Y366 HydrophobicContact CD1-CG 3.79Å; Y284-Y366 AromaticContact CE1-CD1 3.89Å; Y284-Y366 HydrophobicContact CE1-CD1 3.89Å; Y284-Y366 AromaticContact CE1-CE1 3.96Å; Y284-Y366 HydrophobicContact CE1-CE1 3.96Å; Y284-Y366 AromaticContact CG-CD1 3.8Å; Y284-Y366 HydrophobicContact CG-CD1 3.8Å; Y284-Y366 HydrophobicContact CG-CD2 4.41Å; Y284-Y366 HydrophobicContact CG-CE1 4.37Å; Y284-Y366 AromaticContact CG-CG 3.83Å; Y284-Y366 HydrophobicContact CG-CG 3.83Å; C319-Y366 WeakPolarHBondContact CA-O 3.33Å; E320-Y366 PolarHBondContact N-O 2.64Å; E320-Y366 VanDerWaalsContact N-O 3.08Å; E320-Y366 PolarHBondContact O-N 2.81Å; P322-Y366 HydrophobicContact CG-CD2 3.56Å; P322-Y366 HydrophobicContact CG-CE2 3.55Å; V351-Y366 WeakPolarHBondContact CA-OH 3.39Å; V351-Y366 HydrophobicContact CB-CE2 3.92Å; V351-Y366 HydrophobicContact CG1-CE2 4.43Å; V351-Y366 PolarHBondContact O-OH 3.5Å; P363-Y366 HydrophobicContact CG-CD2 4.15Å; P363-Y366 HydrophobicContact CG-CE2 3.47Å; P363-Y366 VanDerWaalsContact CG-CE2 3.47Å; Y366-R385 HydrophobicContact CD1-CB 4.49Å; Y366-Y386 CarbonylContact C-O 3.52Å; Y366-Y386 VanDerWaalsContact CA-O 3.3Å; Y366-Y386 WeakPolarHBondContact CA-O 3.38Å; Y366-A387 HydrophobicContact CD1-CB 4.24Å; Y366-A387 HydrophobicContact CE1-CB 3.86Å; Y366-A387 HydrophobicContact CE2-CB 4.32Å
367V96.8Very high92.4Very high9 Ų942 Ų426%0.05522%0.224CC..EExtended strand (participates in β ladder)trans-110.1146.2-173.1-164.10000110.6E295 L365 R385 Y386 N388E295-V367 VanDerWaalsContact O-CG1 3.27Å; E295-V367 WeakPolarHBondContact O-CG1 3.45Å; L365-V367 HydrophobicContact CD1-CB 4.43Å; L365-V367 HydrophobicContact CD1-CG2 3.08Å; V367-R385 CarbonylContact O-C 3.59Å; V367-R385 WeakPolarHBondContact O-CA 3.29Å; V367-R385 VanDerWaalsContact O-CB 3.27Å; V367-R385 WeakPolarHBondContact O-CB 3.42Å; V367-Y386 HydrophobicContact CB-CE1 4.19Å; V367-Y386 PolarHBondContact N-O 2.65Å; V367-Y386 VanDerWaalsContact O-CD1 3.29Å; V367-Y386 WeakPolarHBondContact O-CD1 3.38Å; V367-Y386 PolarHBondContact O-N 2.7Å; V367-N388 HydrophobicContact CG2-CB 4.16Å
368L96.2Very high93.4Very high5 Ų543.1 Ų43.13%0.02622%0.221CC..EExtended strand (participates in β ladder)trans-80.2130.6167.7-174.768.4000110.5I317 N372 E376 Q383 R385I317-L368 HydrophobicContact CB-CD2 4.09Å; I317-L368 HydrophobicContact CG2-CD2 3.94Å; L368-N372 HydrophobicContact CD1-CB 3.86Å; L368-N372 HydrophobicContact CG-CB 4.36Å; L368-E376 HydrophobicContact CD1-CB 4.28Å; L368-E376 HydrophobicContact CD2-CB 3.55Å; L368-E376 HydrophobicContact CD2-CG 3.82Å; L368-Q383 HydrophobicContact CD1-CB 3.53Å; L368-Q383 HydrophobicContact CD1-CG 4.39Å; L368-R385 HydrophobicContact CB-CG 4.39Å
369A95.5Very high94.1Very high9 Ų948 Ų487%0.07424%0.236CC..  trans-65.1143.3174.300000111.3E371 N372 T373 Y386A369-E371 VanDerWaalsContact C-N 3.25Å; A369-E371 VanDerWaalsContact CB-CD 3.46Å; A369-E371 HydrophobicContact CB-CG 4.22Å; A369-E371 WeakPolarHBondContact CB-OE2 3.34Å; A369-E371 PolarHBondContact O-N 3.23Å; A369-N372 PolarHBondContact O-N 3.38Å; A369-T373 PolarHBondContact O-N 2.93Å; A369-Y386 HydrophobicContact CB-CD1 4.27Å; A369-Y386 HydrophobicContact CB-CE1 3.92Å
370E93.5Very high94.5Very high133 Ų13349.7 Ų49.762%0.62125%0.248SC*.G310 helixtrans-57.8-42-173.1-174.7175.8179.800111.3A297 N372 T373A297-E370 HydrophobicContact CB-CB 4Å; A297-E370 HydrophobicContact CB-CG 4.22Å; E370-N372 PolarHBondContact O-N 2.82Å; E370-T373 VanDerWaalsContact O-CB 3.25Å; E370-T373 WeakPolarHBondContact O-CB 3.49Å; E370-T373 PolarHBondContact O-N 3.37Å; E370-T373 VanDerWaalsContact O-N 3.09Å; E370-T373 PolarHBondContact O-OG1 3.03Å
371E95.5Very high94.5Very high151 Ų15150.2 Ų50.271%0.70625%0.251SS*.G310 helixtrans-60.1-25.4177.162.8-91.2-146.900114.1A369A369-E371 VanDerWaalsContact C-N 3.25Å; A369-E371 VanDerWaalsContact CB-CD 3.46Å; A369-E371 HydrophobicContact CB-CG 4.22Å; A369-E371 WeakPolarHBondContact CB-OE2 3.34Å; A369-E371 PolarHBondContact O-N 3.23Å
372N95.7Very high94.7Very high51 Ų5152.1 Ų52.127%0.27326%0.264SS..G310 helixtrans-94.1-5.4-178.9-65.8-22.9000112.4L368 A369 E370 D374 A375 E376 Q383L368-N372 HydrophobicContact CD1-CB 3.86Å; L368-N372 HydrophobicContact CG-CB 4.36Å; A369-N372 PolarHBondContact O-N 3.38Å; E370-N372 PolarHBondContact O-N 2.82Å; N372-D374 PolarHBondContact O-N 3.34Å; N372-A375 PolarHBondContact O-N 3.02Å; N372-E376 PolarHBondContact O-N 2.9Å; N372-Q383 HydrophobicContact CB-CB 4.16Å; N372-Q383 HydrophobicContact CB-CG 4.12Å
373T94Very high94.8Very high0 Ų054.3 Ų54.30%028%0.275CS..Hα-helixtrans-57.9-47.4-175.7-540000112.5K298 I317 A369 E370 A375 E376 L377K298-T373 HydrophobicContact CG-CG2 4.39Å; I317-T373 HydrophobicContact CD1-CG2 4.05Å; I317-T373 HydrophobicContact CG2-CG2 4.07Å; A369-T373 PolarHBondContact O-N 2.93Å; E370-T373 VanDerWaalsContact O-CB 3.25Å; E370-T373 WeakPolarHBondContact O-CB 3.49Å; E370-T373 PolarHBondContact O-N 3.37Å; E370-T373 VanDerWaalsContact O-N 3.09Å; E370-T373 PolarHBondContact O-OG1 3.03Å; T373-A375 VanDerWaalsContact C-N 3.27Å; T373-A375 PolarHBondContact O-N 3.49Å; T373-E376 PolarHBondContact O-N 3.09Å; T373-L377 HydrophobicContact CG2-CD1 4.03Å; T373-L377 HydrophobicContact CG2-CG 4.45Å; T373-L377 WeakPolarHBondContact O-CG 3.38Å; T373-L377 PolarHBondContact O-N 3.1Å
374D93.8Very high94.9Very high101 Ų10158.9 Ų58.954%0.5430%0.299SS..Hα-helixtrans-67-30.2-178.2-71.7-6.6000112.4N372 K378N372-D374 PolarHBondContact O-N 3.34Å; D374-K378 WeakPolarHBondContact O-CD 3.48Å; D374-K378 VanDerWaalsContact O-CG 3.3Å; D374-K378 WeakPolarHBondContact O-CG 3.4Å; D374-K378 PolarHBondContact O-N 2.81Å
375A95.7Very high95Very high38 Ų3858.7 Ų58.731%0.31430%0.298SS..Hα-helixtrans-74.4-43.3176.900000111.3N372 T373 L377 K378 Q379 Q383N372-A375 PolarHBondContact O-N 3.02Å; T373-A375 VanDerWaalsContact C-N 3.27Å; T373-A375 PolarHBondContact O-N 3.49Å; A375-L377 PolarHBondContact O-N 3.22Å; A375-K378 PolarHBondContact O-N 2.7Å; A375-Q379 PolarHBondContact O-N 2.67Å; A375-Q379 VanDerWaalsContact O-N 3.08Å; A375-Q383 HydrophobicContact CB-CG 3.93Å
376E95.7Very high95Very high0 Ų065 Ų650%032%0.322CS..Hα-helixtrans-63.5-40.2176.1-173.973.2163.600111.7N316 I317 L368 N372 T373 K378 Q379 P380 H381 S382 Q383 R385N316-E376 WeakPolarHBondContact O-CG 3.32Å; I317-E376 HydrophobicContact CG2-CB 4.48Å; I317-E376 HydrophobicContact CG2-CG 4.28Å; L368-E376 HydrophobicContact CD1-CB 4.28Å; L368-E376 HydrophobicContact CD2-CB 3.55Å; L368-E376 HydrophobicContact CD2-CG 3.82Å; N372-E376 PolarHBondContact O-N 2.9Å; T373-E376 PolarHBondContact O-N 3.09Å; E376-K378 VanDerWaalsContact C-N 3.29Å; E376-K378 PolarHBondContact O-N 3Å; E376-Q379 CarbonylContact O-C 3.53Å; E376-Q379 PolarHBondContact O-N 2.74Å; E376-P380 VanDerWaalsContact O-CA 3.29Å; E376-P380 WeakPolarHBondContact O-CA 3.29Å; E376-H381 VanDerWaalsContact CD-N 3.33Å; E376-H381 WeakPolarHBondContact OE1-CA 3.45Å; E376-H381 PolarHBondContact OE1-N 3.34Å; E376-H381 PolarHBondContact OE2-N 3.21Å; E376-S382 PolarHBondContact OE2-N 3.19Å; E376-S382 PolarHBondContact OE2-OG 3.03Å; E376-Q383 HydrophobicContact CB-CB 4.18Å; E376-Q383 HydrophobicContact CB-CG 3.76Å; E376-Q383 WeakPolarHBondContact OE2-CB 3.39Å; E376-Q383 PolarHBondContact OE2-N 3.32Å; E376-R385 IonicContact OE1-CZ 2.88Å; E376-R385 IonicContact OE1-NH1 3.62Å; E376-R385 PolarHBondContact OE1-NH1 3.24Å; E376-R385 IonicContact OE1-NH2 3.31Å; E376-R385 PolarHBondContact OE1-NH2 2.94Å
377L93.1Very high94.9Very high76 Ų7665 Ų6540%0.39833%0.327SS..Hα-helixtrans-64.1-33.5177-73.6172.2000112.9E315 I317 T373 A375E315-L377 WeakPolarHBondContact O-CD2 3.15Å; I317-L377 HydrophobicContact CG2-CD2 3.67Å; I317-L377 HydrophobicContact CG2-CG 3.81Å; T373-L377 HydrophobicContact CG2-CD1 4.03Å; T373-L377 HydrophobicContact CG2-CG 4.45Å; T373-L377 WeakPolarHBondContact O-CG 3.38Å; T373-L377 PolarHBondContact O-N 3.1Å; A375-L377 PolarHBondContact O-N 3.22Å
378K94.5Very high94.6Very high178 Ų17865.3 Ų65.377%0.77433%0.328SS*.Hα-helixtrans-73.4-37.3176.3-73.6170.4-172.7170.40112.2D374 A375 E376D374-K378 WeakPolarHBondContact O-CD 3.48Å; D374-K378 VanDerWaalsContact O-CG 3.3Å; D374-K378 WeakPolarHBondContact O-CG 3.4Å; D374-K378 PolarHBondContact O-N 2.81Å; A375-K378 PolarHBondContact O-N 2.7Å; E376-K378 VanDerWaalsContact C-N 3.29Å; E376-K378 PolarHBondContact O-N 3Å
379Q95.2Very high94.2Very high134 Ų13471.7 Ų71.763%0.62636%0.362SS*.SBendtrans-13993.1179-172.3180-3.300109.2A375 E376 S382A375-Q379 PolarHBondContact O-N 2.67Å; A375-Q379 VanDerWaalsContact O-N 3.08Å; E376-Q379 CarbonylContact O-C 3.53Å; E376-Q379 PolarHBondContact O-N 2.74Å; Q379-S382 WeakPolarHBondContact O-CB 3.35Å; Q379-S382 PolarHBondContact O-N 3.49Å; Q379-S382 PolarHBondContact O-OG 3.25Å
380P92.5Very high93.8Very high51 Ų5171.9 Ų71.933%0.33136%0.362SS..THydrogen-bonded Turntrans-54.9142.6-179.5-29.736.9000112.5N316 E376 S382N316-P380 HydrophobicContact CB-CB 4.1Å; N316-P380 HydrophobicContact CB-CG 4.09Å; E376-P380 VanDerWaalsContact O-CA 3.29Å; E376-P380 WeakPolarHBondContact O-CA 3.29Å; P380-S382 PolarHBondContact O-N 3.28Å
381H90.5Very high93.5Very high86 Ų8669.1 Ų69.140%0.39835%0.348SS..THydrogen-bonded Turntrans65.618.6-177.9-45.8-72.6000115.1E376E376-H381 VanDerWaalsContact CD-N 3.33Å; E376-H381 WeakPolarHBondContact OE1-CA 3.45Å; E376-H381 PolarHBondContact OE1-N 3.34Å; E376-H381 PolarHBondContact OE2-N 3.21Å
382S94Very high93.2Very high39 Ų3962.7 Ų62.727%0.27332%0.32SS..  trans-89.6-27.517964.60000113.3E376 Q379 P380E376-S382 PolarHBondContact OE2-N 3.19Å; E376-S382 PolarHBondContact OE2-OG 3.03Å; Q379-S382 WeakPolarHBondContact O-CB 3.35Å; Q379-S382 PolarHBondContact O-N 3.49Å; Q379-S382 PolarHBondContact O-OG 3.25Å; P380-S382 PolarHBondContact O-N 3.28Å
383Q96.4Very high92.9Very high47 Ų4760.9 Ų60.922%0.2231%0.309CS..SBendtrans-100.9141.1-172.4-55.2-53-59.300112R283 L368 N372 A375 E376 R385R283-Q383 PolarHBondContact NH2-O 3.25Å; L368-Q383 HydrophobicContact CD1-CB 3.53Å; L368-Q383 HydrophobicContact CD1-CG 4.39Å; N372-Q383 HydrophobicContact CB-CB 4.16Å; N372-Q383 HydrophobicContact CB-CG 4.12Å; A375-Q383 HydrophobicContact CB-CG 3.93Å; E376-Q383 HydrophobicContact CB-CB 4.18Å; E376-Q383 HydrophobicContact CB-CG 3.76Å; E376-Q383 WeakPolarHBondContact OE2-CB 3.39Å; E376-Q383 PolarHBondContact OE2-N 3.32Å; Q383-R385 PolarHBondContact O-NH1 2.97Å
384D96.2Very high92.8Very high96 Ų9661.5 Ų61.551%0.51331%0.312SS..  trans-71.3149.3174.4-69.7-28.4000111.8R283 Y284R283-D384 IonicContact CZ-OD1 3.52Å; R283-D384 IonicContact NH1-OD1 3.25Å; R283-D384 PolarHBondContact NH1-OD1 3.16Å; R283-D384 IonicContact NH2-OD1 3.89Å; R283-D384 PolarHBondContact NH2-OD1 3.3Å; Y284-D384 PolarHBondContact OH-OD1 3.18Å; Y284-D384 VanDerWaalsContact OH-OD1 3.09Å
385R97.1Very high92.8Very high11 Ų1157 Ų574%0.04229%0.288CS..EExtended strand (participates in β ladder)trans-113.8146.2176.5-66.7172173.358.1-6108Y284 N316 E320 Y366 V367 L368 E376 Q383Y284-R385 HydrophobicContact CD2-CB 3.91Å; Y284-R385 HydrophobicContact CD2-CG 4.34Å; Y284-R385 HydrophobicContact CE2-CB 3.83Å; Y284-R385 HydrophobicContact CE2-CG 4.29Å; Y284-R385 HydrophobicContact CG-CB 4.49Å; Y284-R385 PolarHBondContact OH-N 3.21Å; N316-R385 PolarHBondContact O-NH2 3.27Å; E320-R385 IonicContact OE1-CZ 2.96Å; E320-R385 IonicContact OE1-NE 3.79Å; Y366-R385 HydrophobicContact CD1-CB 4.49Å; V367-R385 CarbonylContact O-C 3.59Å; V367-R385 WeakPolarHBondContact O-CA 3.29Å; V367-R385 VanDerWaalsContact O-CB 3.27Å; V367-R385 WeakPolarHBondContact O-CB 3.42Å; L368-R385 HydrophobicContact CB-CG 4.39Å; E376-R385 IonicContact OE1-CZ 2.88Å; E376-R385 IonicContact OE1-NH1 3.62Å; E376-R385 PolarHBondContact OE1-NH1 3.24Å; E376-R385 IonicContact OE1-NH2 3.31Å; E376-R385 PolarHBondContact OE1-NH2 2.94Å; Q383-R385 PolarHBondContact O-NH1 2.97Å
386Y95.9Very high92.8Very high131 Ų13155.2 Ų55.251%0.51427%0.273SS..EExtended strand (participates in β ladder)trans-108.5149177.467.1-84.5000109.9Y366 V367 A369Y366-Y386 CarbonylContact C-O 3.52Å; Y366-Y386 VanDerWaalsContact CA-O 3.3Å; Y366-Y386 WeakPolarHBondContact CA-O 3.38Å; V367-Y386 HydrophobicContact CB-CE1 4.19Å; V367-Y386 PolarHBondContact N-O 2.65Å; V367-Y386 VanDerWaalsContact O-CD1 3.29Å; V367-Y386 WeakPolarHBondContact O-CD1 3.38Å; V367-Y386 PolarHBondContact O-N 2.7Å; A369-Y386 HydrophobicContact CB-CD1 4.27Å; A369-Y386 HydrophobicContact CB-CE1 3.92Å
387A95.5Very high92.7Very high20 Ų2055.2 Ų55.217%0.16527%0.273CS..EExtended strand (participates in β ladder)trans-70.4136.1176.900000110.8I353 P363 Y366I353-A387 HydrophobicContact CD1-CB 3.41Å; I353-A387 VanDerWaalsContact CD1-CB 3.41Å; P363-A387 HydrophobicContact CB-CB 3.79Å; P363-A387 HydrophobicContact CG-CB 3.8Å; Y366-A387 HydrophobicContact CD1-CB 4.24Å; Y366-A387 HydrophobicContact CE1-CB 3.86Å; Y366-A387 HydrophobicContact CE2-CB 4.32Å
388N91.2Very high92.7Very high14 Ų1451.6 Ų51.68%0.07525%0.254CS..  trans-70.3176.3176.779.5-21000112.8L365 V367 T390 K391L365-N388 HydrophobicContact CD1-CB 3.77Å; L365-N388 HydrophobicContact CG-CB 4.49Å; L365-N388 PolarHBondContact O-N 3.01Å; L365-N388 PolarHBondContact O-OD1 3.25Å; V367-N388 HydrophobicContact CG2-CB 4.16Å; N388-T390 PolarHBondContact O-N 3.22Å; N388-T390 PolarHBondContact OD1-N 3.39Å; N388-T390 PolarHBondContact OD1-O 3.08Å; N388-K391 PolarHBondContact O-NZ 3.27Å; N388-K391 VanDerWaalsContact O-NZ 3.08Å
389D86.9Confident92.8Very high140 Ų14043.2 Ų43.275%0.74922%0.218SC*.SBendtrans-75.7-9.9-177.6-71.3-32.6000114.4K391D389-K391 PolarHBondContact O-N 3.07Å; D389-K391 VanDerWaalsContact O-N 3.16Å; D389-K391 IonicContact OD1-NZ 3.47Å
390T87.5Confident92.8Very high12 Ų1237.4 Ų37.47%0.07419%0.19CC..  trans-83.793.7178.2-56.90000111I28 K364 N388I28-T390 HydrophobicContact CD1-CG2 4.35Å; I28-T390 HydrophobicContact CG1-CG2 3.62Å; K364-T390 HydrophobicContact CB-CG2 3.85Å; K364-T390 HydrophobicContact CD-CG2 4Å; K364-T390 PolarHBondContact N-O 2.96Å; N388-T390 PolarHBondContact O-N 3.22Å; N388-T390 PolarHBondContact OD1-N 3.39Å; N388-T390 PolarHBondContact OD1-O 3.08Å
391K86.5Confident92.8Very high75 Ų7535 Ų3533%0.32618%0.175SC..  trans-147132.217848.5-170.9170.1-710111.1I353 V361 P363 N388 D389I353-K391 HydrophobicContact CD1-CD 3.86Å; V361-K391 HydrophobicContact CG2-CB 4.14Å; P363-K391 HydrophobicContact CB-CB 4.39Å; N388-K391 PolarHBondContact O-NZ 3.27Å; N388-K391 VanDerWaalsContact O-NZ 3.08Å; D389-K391 PolarHBondContact O-N 3.07Å; D389-K391 VanDerWaalsContact O-N 3.16Å; D389-K391 IonicContact OD1-NZ 3.47Å
392P88.7Confident93Very high17 Ų1731 Ų3111%0.1116%0.156CC..SBendcis-70.7148.8-6.930.1-33.9000112.2L15 V361 Q397L15-P392 HydrophobicContact CD2-CG 4.33Å; V361-P392 HydrophobicContact CB-CB 4Å; V361-P392 HydrophobicContact CG1-CB 4.01Å; V361-P392 HydrophobicContact CG1-CG 4.4Å; P392-Q397 HydrophobicContact CB-CB 4.07Å; P392-Q397 HydrophobicContact CB-CG 3.96Å
393F91Very high93.1Very high13 Ų1329.1 Ų29.16%0.05714%0.143CC..  trans-85111.8164.2176.7-142.5000109.7W321 L323 I362 K364 W395 A396 Q397W321-F393 HydrophobicContact CE3-CE1 4.12Å; W321-F393 AromaticContact CZ3-CE1 3.84Å; W321-F393 HydrophobicContact CZ3-CE1 3.84Å; W321-F393 HydrophobicContact CZ3-CZ 4.16Å; L323-F393 HydrophobicContact CD2-CE1 4.22Å; I362-F393 PolarHBondContact O-N 2.68Å; K364-F393 VanDerWaalsContact CA-CB 3.47Å; K364-F393 HydrophobicContact CB-CB 3.82Å; K364-F393 HydrophobicContact CB-CD1 4.28Å; K364-F393 HydrophobicContact CB-CD2 4.46Å; K364-F393 HydrophobicContact CB-CG 3.95Å; K364-F393 HydrophobicContact CG-CB 4.4Å; K364-F393 HydrophobicContact CG-CD1 4.05Å; K364-F393 HydrophobicContact CG-CD2 4.19Å; K364-F393 HydrophobicContact CG-CE1 4.39Å; K364-F393 HydrophobicContact CG-CG 3.96Å; F393-W395 VanDerWaalsContact C-N 3.32Å; F393-W395 HydrophobicContact CE1-CB 4.04Å; F393-W395 HydrophobicContact CE1-CE3 4.43Å; F393-W395 HydrophobicContact CE2-CB 4.15Å; F393-W395 HydrophobicContact CZ-CB 3.78Å; F393-W395 HydrophobicContact CZ-CD2 4.46Å; F393-W395 AromaticContact CZ-CE3 3.92Å; F393-W395 HydrophobicContact CZ-CE3 3.92Å; F393-W395 HydrophobicContact CZ-CG 4.48Å; F393-W395 PolarHBondContact O-N 2.81Å; F393-W395 VanDerWaalsContact O-N 3.17Å; F393-A396 HydrophobicContact CB-CB 4.35Å; F393-A396 HydrophobicContact CD1-CB 3.6Å; F393-A396 HydrophobicContact CE1-CB 4.32Å; F393-A396 HydrophobicContact CG-CB 4.32Å; F393-A396 PolarHBondContact O-N 2.77Å; F393-A396 VanDerWaalsContact O-N 3.09Å; F393-Q397 VanDerWaalsContact O-CB 3.29Å; F393-Q397 WeakPolarHBondContact O-CB 3.34Å; F393-Q397 PolarHBondContact O-N 3.22Å
394L90.6Very high92.9Very high12 Ų1227.4 Ų27.46%0.06314%0.136CC..Hα-helixtrans-49.1-48.5-168.5-178.759.6000113.5L15 F24 D39 A43 S398L15-L394 HydrophobicContact CB-CD1 4.24Å; L15-L394 HydrophobicContact CD1-CD1 3.71Å; L15-L394 HydrophobicContact CD2-CD1 3.63Å; L15-L394 HydrophobicContact CG-CD1 4.04Å; F24-L394 HydrophobicContact CB-CD2 3.47Å; F24-L394 VanDerWaalsContact CB-CD2 3.47Å; F24-L394 HydrophobicContact CD1-CD1 4.46Å; F24-L394 HydrophobicContact CG-CD2 4.09Å; D39-L394 HydrophobicContact CB-CB 4.48Å; D39-L394 HydrophobicContact CB-CD2 3.98Å; D39-L394 HydrophobicContact CB-CG 4.38Å; A43-L394 HydrophobicContact CB-CD1 3.77Å; A43-L394 HydrophobicContact CB-CD2 4.1Å; A43-L394 HydrophobicContact CB-CG 4.01Å; L394-S398 VanDerWaalsContact O-CB 3.3Å; L394-S398 WeakPolarHBondContact O-CB 3.11Å; L394-S398 PolarHBondContact O-N 2.99Å; L394-S398 PolarHBondContact O-OG 2.99Å
395W94.3Very high92.8Very high7 Ų722.9 Ų22.93%0.02711%0.112CC..Hα-helixtrans-62.4-52.2179.4-179.82000112.1R38 Y42 I176 W177 L323 Y327 F393 Q397 S398 L399R38-W395 HydrophobicContact CG-CE3 4.28Å; R38-W395 HydrophobicContact CG-CZ3 4.28Å; Y42-W395 AromaticContact CD1-CD1 3.86Å; Y42-W395 AromaticContact CD1-NE1 3.79Å; Y42-W395 AromaticContact CD2-CD1 3.21Å; Y42-W395 AromaticContact CD2-CD2 3.83Å; Y42-W395 HydrophobicContact CD2-CD2 3.83Å; Y42-W395 AromaticContact CD2-CE2 3.54Å; Y42-W395 AromaticContact CD2-CG 3.68Å; Y42-W395 HydrophobicContact CD2-CG 3.68Å; Y42-W395 HydrophobicContact CD2-CZ2 4.32Å; Y42-W395 AromaticContact CD2-NE1 3.13Å; Y42-W395 AromaticContact CE1-NE1 3.77Å; Y42-W395 AromaticContact CE2-CD1 3.72Å; Y42-W395 HydrophobicContact CE2-CD2 4.01Å; Y42-W395 AromaticContact CE2-CE2 3.28Å; Y42-W395 HydrophobicContact CE2-CG 4.28Å; Y42-W395 AromaticContact CE2-CZ2 3.64Å; Y42-W395 HydrophobicContact CE2-CZ2 3.64Å; Y42-W395 AromaticContact CE2-NE1 3.08Å; Y42-W395 AromaticContact CG-CD1 3.29Å; Y42-W395 HydrophobicContact CG-CG 4.07Å; Y42-W395 AromaticContact CG-NE1 3.5Å; Y42-W395 AromaticContact CZ-CE2 3.94Å; Y42-W395 AromaticContact CZ-NE1 3.44Å; I176-W395 HydrophobicContact CD1-CH2 3.46Å; I176-W395 VanDerWaalsContact CD1-CH2 3.46Å; I176-W395 HydrophobicContact CD1-CZ2 3.99Å; I176-W395 HydrophobicContact CD1-CZ3 4.5Å; I176-W395 HydrophobicContact CG1-CH2 3.73Å; I176-W395 HydrophobicContact CG1-CZ3 4.35Å; W177-W395 HydrophobicContact CH2-CH2 4.12Å; W177-W395 HydrophobicContact CH2-CZ3 4.38Å; W177-W395 HydrophobicContact CZ3-CH2 4.1Å; W177-W395 AromaticContact CZ3-CZ3 3.94Å; W177-W395 HydrophobicContact CZ3-CZ3 3.94Å; L323-W395 HydrophobicContact CD1-CD2 4.12Å; L323-W395 HydrophobicContact CD1-CG 3.9Å; L323-W395 HydrophobicContact CD2-CD2 3.95Å; L323-W395 HydrophobicContact CD2-CE3 4.13Å; L323-W395 HydrophobicContact CD2-CH2 4.1Å; L323-W395 HydrophobicContact CD2-CZ2 4Å; L323-W395 HydrophobicContact CD2-CZ3 4.19Å; Y327-W395 HydrophobicContact CE2-CZ2 4.04Å; Y327-W395 AromaticContact CE2-NE1 3.86Å; Y327-W395 AromaticContact CZ-NE1 3.8Å; Y327-W395 VanDerWaalsContact OH-CZ2 3.25Å; Y327-W395 WeakPolarHBondContact OH-CZ2 3.5Å; Y327-W395 PolarHBondContact OH-NE1 3.13Å; F393-W395 VanDerWaalsContact C-N 3.32Å; F393-W395 HydrophobicContact CE1-CB 4.04Å; F393-W395 HydrophobicContact CE1-CE3 4.43Å; F393-W395 HydrophobicContact CE2-CB 4.15Å; F393-W395 HydrophobicContact CZ-CB 3.78Å; F393-W395 HydrophobicContact CZ-CD2 4.46Å; F393-W395 AromaticContact CZ-CE3 3.92Å; F393-W395 HydrophobicContact CZ-CE3 3.92Å; F393-W395 HydrophobicContact CZ-CG 4.48Å; F393-W395 PolarHBondContact O-N 2.81Å; F393-W395 VanDerWaalsContact O-N 3.17Å; W395-Q397 PolarHBondContact O-N 2.6Å; W395-S398 PolarHBondContact O-N 3.38Å; W395-L399 PolarHBondContact O-N 3.09Å
396A95.2Very high92.7Very high0 Ų022.8 Ų22.80%011%0.112CC..Hα-helixtrans-66.1-38.8-179.100000112.5L323 I362 F393 S398 L399 Y400L323-A396 HydrophobicContact CB-CB 3.91Å; L323-A396 HydrophobicContact CD1-CB 3.78Å; L323-A396 HydrophobicContact CG-CB 4.46Å; I362-A396 HydrophobicContact CB-CB 4.17Å; I362-A396 HydrophobicContact CG2-CB 3.54Å; F393-A396 HydrophobicContact CB-CB 4.35Å; F393-A396 HydrophobicContact CD1-CB 3.6Å; F393-A396 HydrophobicContact CE1-CB 4.32Å; F393-A396 HydrophobicContact CG-CB 4.32Å; F393-A396 PolarHBondContact O-N 2.77Å; F393-A396 VanDerWaalsContact O-N 3.09Å; A396-S398 VanDerWaalsContact C-N 3.29Å; A396-S398 PolarHBondContact O-N 3.2Å; A396-L399 PolarHBondContact O-N 2.76Å; A396-Y400 WeakPolarHBondContact O-CB 3.44Å; A396-Y400 PolarHBondContact O-N 3.29Å
397Q93.3Very high92.6Very high0 Ų019.4 Ų19.40%010%0.101CC..Hα-helixtrans-60.3-42.2175.5-167.763.442.400111.4L11 K360 V361 P392 F393 W395 Y400 I401L11-Q397 HydrophobicContact CG-CG 4.36Å; K360-Q397 PolarHBondContact O-NE2 3.18Å; K360-Q397 VanDerWaalsContact O-NE2 3.17Å; V361-Q397 VanDerWaalsContact CA-OE1 3.24Å; P392-Q397 HydrophobicContact CB-CB 4.07Å; P392-Q397 HydrophobicContact CB-CG 3.96Å; F393-Q397 VanDerWaalsContact O-CB 3.29Å; F393-Q397 WeakPolarHBondContact O-CB 3.34Å; F393-Q397 PolarHBondContact O-N 3.22Å; W395-Q397 PolarHBondContact O-N 2.6Å; Q397-Y400 PolarHBondContact O-N 2.97Å; Q397-I401 HydrophobicContact CG-CD1 4.13Å; Q397-I401 WeakPolarHBondContact O-CG1 3.26Å; Q397-I401 PolarHBondContact O-N 3.39Å
398S94.1Very high92.5Very high1 Ų121.3 Ų21.31%0.00711%0.107CC..Hα-helixtrans-64.7-44.2-179.1-60.30000111.7Y42 A43 L394 W395 A396 L402Y42-S398 WeakPolarHBondContact O-CB 3.34Å; A43-S398 VanDerWaalsContact CA-OG 3.32Å; A43-S398 WeakPolarHBondContact CA-OG 2.93Å; L394-S398 VanDerWaalsContact O-CB 3.3Å; L394-S398 WeakPolarHBondContact O-CB 3.11Å; L394-S398 PolarHBondContact O-N 2.99Å; L394-S398 PolarHBondContact O-OG 2.99Å; W395-S398 PolarHBondContact O-N 3.38Å; A396-S398 VanDerWaalsContact C-N 3.29Å; A396-S398 PolarHBondContact O-N 3.2Å; S398-L402 WeakPolarHBondContact O-CB 3.16Å; S398-L402 PolarHBondContact O-N 3.46Å
399L96.3Very high92.5Very high1 Ų127 Ų271%0.00514%0.137CC..Hα-helixtrans-69.3-34.9175.6-66.7178.9000112.4Y42 Y258 L323 C326 Y327 I330 W395 A396 L402 G403Y42-L399 HydrophobicContact CD1-CD2 3.87Å; Y42-L399 HydrophobicContact CD1-CG 4.27Å; Y42-L399 HydrophobicContact CE1-CD2 4.09Å; Y258-L399 HydrophobicContact CD1-CD2 4.22Å; Y258-L399 HydrophobicContact CE1-CD2 3.99Å; L323-L399 HydrophobicContact CD1-CD1 3.8Å; C326-L399 HydrophobicContact CB-CB 3.68Å; Y327-L399 HydrophobicContact CD1-CD1 4.15Å; Y327-L399 HydrophobicContact CD2-CD1 3.79Å; Y327-L399 HydrophobicContact CE1-CD1 3.81Å; Y327-L399 HydrophobicContact CE2-CD1 3.44Å; Y327-L399 VanDerWaalsContact CE2-CD1 3.44Å; Y327-L399 HydrophobicContact CG-CD1 4.13Å; Y327-L399 VanDerWaalsContact CZ-CD1 3.43Å; I330-L399 HydrophobicContact CD1-CB 4.03Å; I330-L399 HydrophobicContact CD1-CD2 3.89Å; I330-L399 WeakPolarHBondContact CD1-O 3.1Å; W395-L399 PolarHBondContact O-N 3.09Å; A396-L399 PolarHBondContact O-N 2.76Å; L399-L402 PolarHBondContact O-N 2.96Å; L399-G403 PolarHBondContact O-N 3.34Å
400Y95.2Very high92.7Very high12 Ų1220.8 Ų20.85%0.04710%0.104CC..Hα-helixtrans-61.1-51.5175.3175.1-109.4000111.4L348 V352 K360 I362 A396 Q397 L402 G403 C404L348-Y400 HydrophobicContact CB-CE2 4.32Å; L348-Y400 HydrophobicContact CD1-CD2 4.23Å; L348-Y400 HydrophobicContact CD1-CE2 4.44Å; L348-Y400 HydrophobicContact CD2-CD2 4.22Å; V352-Y400 HydrophobicContact CG1-CD2 4.46Å; V352-Y400 HydrophobicContact CG1-CE1 4.32Å; V352-Y400 HydrophobicContact CG1-CE2 3.88Å; K360-Y400 HydrophobicContact CB-CE1 4.35Å; I362-Y400 HydrophobicContact CD1-CD2 4.03Å; I362-Y400 HydrophobicContact CD1-CG 4.02Å; I362-Y400 HydrophobicContact CG1-CD1 4.25Å; I362-Y400 HydrophobicContact CG1-CD2 4.38Å; I362-Y400 HydrophobicContact CG1-CG 3.87Å; A396-Y400 WeakPolarHBondContact O-CB 3.44Å; A396-Y400 PolarHBondContact O-N 3.29Å; Q397-Y400 PolarHBondContact O-N 2.97Å; Y400-L402 VanDerWaalsContact C-N 3.31Å; Y400-L402 PolarHBondContact O-N 2.71Å; Y400-G403 PolarHBondContact O-N 3.15Å; Y400-C404 PolarHBondContact O-N 3.08Å; Y400-C404 PolarHBondContact O-SG 3.38Å; Y400-C404 VanDerWaalsContact O-SG 3.4Å
401I92.4Very high93Very high2 Ų220.5 Ų20.51%0.0110%0.102CC..Hα-helixtrans-55.6-49.1175.6-71165.3000110.5T8 L11 C46 Q397 G403 C404 L405T8-I401 HydrophobicContact CG2-CB 4.29Å; T8-I401 HydrophobicContact CG2-CG1 4.21Å; T8-I401 HydrophobicContact CG2-CG2 3.25Å; L11-I401 HydrophobicContact CB-CD1 4.28Å; L11-I401 HydrophobicContact CD2-CD1 3.75Å; L11-I401 HydrophobicContact CD2-CG1 3.65Å; L11-I401 HydrophobicContact CG-CD1 3.98Å; L11-I401 HydrophobicContact CG-CG1 4.44Å; C46-I401 WeakPolarHBondContact SG-CD1 3.31Å; C46-I401 WeakPolarHBondContact SG-CG2 3.49Å; Q397-I401 HydrophobicContact CG-CD1 4.13Å; Q397-I401 WeakPolarHBondContact O-CG1 3.26Å; Q397-I401 PolarHBondContact O-N 3.39Å; I401-G403 VanDerWaalsContact C-N 3.29Å; I401-G403 PolarHBondContact O-N 3.43Å; I401-C404 WeakPolarHBondContact O-CB 3.4Å; I401-C404 PolarHBondContact O-N 3.26Å; I401-C404 VanDerWaalsContact O-N 3.11Å; I401-L405 HydrophobicContact CG2-CD1 4.15Å; I401-L405 HydrophobicContact CG2-CG 4.36Å; I401-L405 WeakPolarHBondContact O-CG 3.41Å; I401-L405 PolarHBondContact O-N 3.29Å
402L94.2Very high93.3Very high1 Ų124.3 Ų24.31%0.00512%0.118CC..Hα-helixtrans-59-42.4-179.4-168.965.8000111.7H45 Y258 I330 S398 L399 Y400 L405 I406 I411 L416H45-L402 HydrophobicContact CB-CD2 4.36Å; Y258-L402 HydrophobicContact CE1-CD2 3.65Å; Y258-L402 HydrophobicContact CE2-CD2 4.5Å; Y258-L402 WeakPolarHBondContact OH-CD2 3.26Å; I330-L402 HydrophobicContact CD1-CB 4.39Å; I330-L402 HydrophobicContact CD1-CD2 4.3Å; S398-L402 WeakPolarHBondContact O-CB 3.16Å; S398-L402 PolarHBondContact O-N 3.46Å; L399-L402 PolarHBondContact O-N 2.96Å; Y400-L402 VanDerWaalsContact C-N 3.31Å; Y400-L402 PolarHBondContact O-N 2.71Å; L402-L405 PolarHBondContact O-N 3.21Å; L402-I406 HydrophobicContact CG-CD1 4.33Å; L402-I406 WeakPolarHBondContact O-CD1 3.25Å; L402-I406 VanDerWaalsContact O-CG1 3.25Å; L402-I406 WeakPolarHBondContact O-CG1 3.16Å; L402-I406 PolarHBondContact O-N 2.79Å; L402-I406 VanDerWaalsContact O-N 3.11Å; L402-I411 HydrophobicContact CD1-CD1 3.83Å; L402-L416 HydrophobicContact CD1-CD1 3.71Å; L402-L416 HydrophobicContact CD1-CD2 3.77Å; L402-L416 HydrophobicContact CD1-CG 4.39Å; L402-L416 HydrophobicContact CD2-CD1 4.18Å; L402-L416 HydrophobicContact CG-CD1 3.99Å
403G95.7Very high93.5Very high0 Ų025.4 Ų25.40%012%0.123CC..Hα-helixtrans-59.5-44.3173.700000112.9L399 Y400 I401 I406 E407L399-G403 PolarHBondContact O-N 3.34Å; Y400-G403 PolarHBondContact O-N 3.15Å; I401-G403 VanDerWaalsContact C-N 3.29Å; I401-G403 PolarHBondContact O-N 3.43Å; G403-I406 PolarHBondContact O-N 3.25Å; G403-E407 PolarHBondContact O-N 3.34Å
404C93.7Very high93.5Very high11 Ų1127 Ų277%0.07414%0.138CC..Hα-helixtrans-62.3-44.4176.7-65.50000112.1Y400 I401 I406 E407 E408Y400-C404 PolarHBondContact O-N 3.08Å; Y400-C404 PolarHBondContact O-SG 3.38Å; Y400-C404 VanDerWaalsContact O-SG 3.4Å; I401-C404 WeakPolarHBondContact O-CB 3.4Å; I401-C404 PolarHBondContact O-N 3.26Å; I401-C404 VanDerWaalsContact O-N 3.11Å; C404-I406 VanDerWaalsContact C-N 3.25Å; C404-I406 PolarHBondContact O-N 3.49Å; C404-E407 PolarHBondContact O-N 2.98Å; C404-E408 WeakPolarHBondContact O-CB 3.25Å; C404-E408 WeakPolarHBondContact O-CG 3.49Å; C404-E408 PolarHBondContact O-N 3.46Å
405L93Very high93.6Very high1 Ų128 Ų281%0.00514%0.143CC..Hα-helixtrans-59.6-37.5176.7-65.6176.8000112.4L50 A53 I401 L402 N409 L410 I411L50-L405 HydrophobicContact CD2-CD1 4.11Å; L50-L405 HydrophobicContact CD2-CD2 4.22Å; L50-L405 HydrophobicContact CG-CD1 4.17Å; A53-L405 HydrophobicContact CB-CD2 4.42Å; I401-L405 HydrophobicContact CG2-CD1 4.15Å; I401-L405 HydrophobicContact CG2-CG 4.36Å; I401-L405 WeakPolarHBondContact O-CG 3.41Å; I401-L405 PolarHBondContact O-N 3.29Å; L402-L405 PolarHBondContact O-N 3.21Å; L405-N409 PolarHBondContact O-N 3.25Å; L405-L410 HydrophobicContact CD2-CB 4.39Å; L405-L410 HydrophobicContact CD2-CD1 3.7Å; L405-L410 PolarHBondContact O-N 2.88Å; L405-I411 HydrophobicContact CB-CD1 3.69Å; L405-I411 HydrophobicContact CB-CG1 3.94Å; L405-I411 HydrophobicContact CD1-CD1 4.27Å
406I95Very high93.5Very high8 Ų827.9 Ų27.94%0.04114%0.142CC..Hα-helixtrans-68.2-49.3175.5-66.5163.8000110.6I330 H333 L402 G403 C404 E408 N409 I411 L413 L416I330-I406 HydrophobicContact CG1-CD1 4.48Å; I330-I406 HydrophobicContact CG2-CD1 4.46Å; H333-I406 HydrophobicContact CB-CG2 3.68Å; L402-I406 HydrophobicContact CG-CD1 4.33Å; L402-I406 WeakPolarHBondContact O-CD1 3.25Å; L402-I406 VanDerWaalsContact O-CG1 3.25Å; L402-I406 WeakPolarHBondContact O-CG1 3.16Å; L402-I406 PolarHBondContact O-N 2.79Å; L402-I406 VanDerWaalsContact O-N 3.11Å; G403-I406 PolarHBondContact O-N 3.25Å; C404-I406 VanDerWaalsContact C-N 3.25Å; C404-I406 PolarHBondContact O-N 3.49Å; I406-E408 VanDerWaalsContact C-N 3.3Å; I406-E408 PolarHBondContact O-N 2.89Å; I406-N409 PolarHBondContact O-N 3.2Å; I406-I411 HydrophobicContact CG1-CD1 4.06Å; I406-I411 HydrophobicContact CG1-CG1 4.03Å; I406-L413 HydrophobicContact CD1-CD2 3.97Å; I406-L413 HydrophobicContact CG1-CD2 4.15Å; I406-L413 HydrophobicContact CG2-CD2 3.62Å; I406-L413 HydrophobicContact CG2-CG 4.47Å; I406-L416 HydrophobicContact CD1-CD1 3.75Å; I406-L416 HydrophobicContact CG1-CD1 3.98Å
407E95.1Very high93.5Very high60 Ų6027.9 Ų27.928%0.2814%0.143SC..Hα-helixtrans-60.3-40-178.9-174.8177.6-140.600112.2F329 R345 G403 C404 N409F329-E407 HydrophobicContact CZ-CB 4Å; F329-E407 HydrophobicContact CZ-CG 4.28Å; R345-E407 IonicContact CZ-OE2 3.84Å; R345-E407 IonicContact NE-OE2 3.89Å; R345-E407 IonicContact NH1-OE2 3.57Å; R345-E407 PolarHBondContact NH1-OE2 3.08Å; G403-E407 PolarHBondContact O-N 3.34Å; C404-E407 PolarHBondContact O-N 2.98Å; E407-N409 PolarHBondContact O-N 3.41Å; E407-N409 PolarHBondContact O-ND2 2.51Å
408E91.8Very high93.4Very high61 Ų6129.5 Ų29.529%0.28515%0.153SC..THydrogen-bonded Turntrans-75.6-0.9177.5-68.6173.9-147.600113.3C404 I406 L410C404-E408 WeakPolarHBondContact O-CB 3.25Å; C404-E408 WeakPolarHBondContact O-CG 3.49Å; C404-E408 PolarHBondContact O-N 3.46Å; I406-E408 VanDerWaalsContact C-N 3.3Å; I406-E408 PolarHBondContact O-N 2.89Å; E408-L410 HydrophobicContact CB-CD1 4.17Å; E408-L410 HydrophobicContact CB-CG 3.94Å; E408-L410 PolarHBondContact O-N 2.98Å; E408-L410 WeakPolarHBondContact OE2-CD1 3.49Å
409N92.1Very high93.4Very high132 Ų13232.2 Ų32.271%0.70617%0.167SC*.THydrogen-bonded Turntrans57.328.7-176.6-57.5-82.2000113.9L405 I406 E407 I411L405-N409 PolarHBondContact O-N 3.25Å; I406-N409 PolarHBondContact O-N 3.2Å; E407-N409 PolarHBondContact O-N 3.41Å; E407-N409 PolarHBondContact O-ND2 2.51Å; N409-I411 VanDerWaalsContact C-N 3.31Å
410L91.4Very high93.2Very high11 Ų1135.5 Ų35.56%0.05819%0.185CC..SBendtrans-76.2-25.2175.3-63.2177.5000111.9M1 A53 N56 H57 L405 E408M1-L410 HydrophobicContact CE-CD2 4.07Å; M1-L410 HydrophobicContact CG-CD2 4.39Å; A53-L410 HydrophobicContact CB-CB 3.96Å; N56-L410 PolarHBondContact ND2-O 3.21Å; H57-L410 PolarHBondContact NE2-O 3.19Å; L405-L410 HydrophobicContact CD2-CB 4.39Å; L405-L410 HydrophobicContact CD2-CD1 3.7Å; L405-L410 PolarHBondContact O-N 2.88Å; E408-L410 HydrophobicContact CB-CD1 4.17Å; E408-L410 HydrophobicContact CB-CG 3.94Å; E408-L410 PolarHBondContact O-N 2.98Å; E408-L410 WeakPolarHBondContact OE2-CD1 3.49Å
411I93.3Very high93.1Very high5 Ų535.8 Ų35.83%0.02619%0.186CC..SBendtrans-133.4146.717459.5-175.9000110.4G49 L52 A53 L402 L405 I406 N409 L416G49-I411 VanDerWaalsContact O-CG2 3.31Å; G49-I411 WeakPolarHBondContact O-CG2 3.25Å; L52-I411 HydrophobicContact CB-CG2 3.67Å; A53-I411 HydrophobicContact CB-CG2 3.9Å; L402-I411 HydrophobicContact CD1-CD1 3.83Å; L405-I411 HydrophobicContact CB-CD1 3.69Å; L405-I411 HydrophobicContact CB-CG1 3.94Å; L405-I411 HydrophobicContact CD1-CD1 4.27Å; I406-I411 HydrophobicContact CG1-CD1 4.06Å; I406-I411 HydrophobicContact CG1-CG1 4.03Å; N409-I411 VanDerWaalsContact C-N 3.31Å; I411-L416 HydrophobicContact CD1-CD1 3.73Å; I411-L416 HydrophobicContact CD1-CD2 4.04Å; I411-L416 HydrophobicContact CD1-CG 4.03Å
412K92.7Very high92.9Very high155 Ų15538.5 Ų38.567%0.67420%0.196SC*.  trans-90.1145.4173.2-60.5174.8-176.91710109.8A414 E415K412-A414 PolarHBondContact O-N 2.94Å; K412-A414 VanDerWaalsContact O-N 3.16Å; K412-E415 HydrophobicContact CB-CG 4.14Å; K412-E415 WeakPolarHBondContact CB-OE2 3.46Å; K412-E415 PolarHBondContact N-OE2 2.79Å; K412-E415 WeakPolarHBondContact O-CB 3.34Å; K412-E415 PolarHBondContact O-N 3.09Å
413L92.6Very high92.6Very high41 Ų4141.3 Ų41.322%0.21521%0.21CC..Hα-helixtrans-55.4-35.7177.3-63.7176.3000113.3H333 F334 I406 E415 L416 D417H333-L413 HydrophobicContact CB-CD2 4.45Å; F334-L413 HydrophobicContact CD1-CB 4.24Å; F334-L413 HydrophobicContact CD1-CD1 4.11Å; F334-L413 HydrophobicContact CD1-CD2 4.15Å; F334-L413 HydrophobicContact CD1-CG 4.41Å; F334-L413 HydrophobicContact CD2-CD2 4.11Å; F334-L413 HydrophobicContact CE1-CB 3.84Å; F334-L413 HydrophobicContact CE1-CD1 4.49Å; F334-L413 HydrophobicContact CE1-CD2 3.95Å; F334-L413 HydrophobicContact CE1-CG 4.31Å; F334-L413 HydrophobicContact CE2-CD2 3.89Å; F334-L413 HydrophobicContact CG-CD1 4.39Å; F334-L413 HydrophobicContact CG-CD2 4.23Å; F334-L413 HydrophobicContact CZ-CB 4.35Å; F334-L413 HydrophobicContact CZ-CD2 3.81Å; I406-L413 HydrophobicContact CD1-CD2 3.97Å; I406-L413 HydrophobicContact CG1-CD2 4.15Å; I406-L413 HydrophobicContact CG2-CD2 3.62Å; I406-L413 HydrophobicContact CG2-CG 4.47Å; L413-E415 PolarHBondContact O-N 2.96Å; L413-L416 PolarHBondContact O-N 3.07Å; L413-D417 PolarHBondContact O-N 2.88Å
414A92.1Very high91.9Very high45 Ų4542.5 Ų42.537%0.37222%0.219SC..Hα-helixtrans-66.7-20.3177.600000113.6K412 D417 P418K412-A414 PolarHBondContact O-N 2.94Å; K412-A414 VanDerWaalsContact O-N 3.16Å; A414-D417 CarbonylContact O-C 3.25Å; A414-D417 VanDerWaalsContact O-C 3.25Å; A414-P418 WeakPolarHBondContact O-CA 3.3Å
415E92.4Very high91.2Very high34 Ų3445 Ų4516%0.15923%0.234CC..Hα-helixtrans-81.7-26.3177.5-61177.295.800112.2W48 L52 R55 N56 K412 L413W48-E415 WeakPolarHBondContact CZ2-O 3.45Å; L52-E415 HydrophobicContact CD1-CB 3.97Å; L52-E415 HydrophobicContact CD2-CB 4.37Å; R55-E415 IonicContact NH2-OE1 3.93Å; N56-E415 PolarHBondContact ND2-OE1 2.87Å; N56-E415 PolarHBondContact ND2-OE2 3.17Å; N56-E415 PolarHBondContact OD1-OE1 3.37Å; K412-E415 HydrophobicContact CB-CG 4.14Å; K412-E415 WeakPolarHBondContact CB-OE2 3.46Å; K412-E415 PolarHBondContact N-OE2 2.79Å; K412-E415 WeakPolarHBondContact O-CB 3.34Å; K412-E415 PolarHBondContact O-N 3.09Å; L413-E415 PolarHBondContact O-N 2.96Å
416L92.2Very high90.5Very high4 Ų450.6 Ų50.62%0.02126%0.26CS..Hα-helixtrans-83-18.6172.3-65.5177.5000113L52 Y258 L402 I406 I411 L413 P418L52-L416 HydrophobicContact CD1-CD2 3.86Å; Y258-L416 HydrophobicContact CE2-CB 4.29Å; L402-L416 HydrophobicContact CD1-CD1 3.71Å; L402-L416 HydrophobicContact CD1-CD2 3.77Å; L402-L416 HydrophobicContact CD1-CG 4.39Å; L402-L416 HydrophobicContact CD2-CD1 4.18Å; L402-L416 HydrophobicContact CG-CD1 3.99Å; I406-L416 HydrophobicContact CD1-CD1 3.75Å; I406-L416 HydrophobicContact CG1-CD1 3.98Å; I411-L416 HydrophobicContact CD1-CD1 3.73Å; I411-L416 HydrophobicContact CD1-CD2 4.04Å; I411-L416 HydrophobicContact CD1-CG 4.03Å; L413-L416 PolarHBondContact O-N 3.07Å; L416-P418 VanDerWaalsContact C-CD 3.41Å
417D94.1Very high88.8Confident1 Ų155 Ų551%0.00530%0.298CS..  trans-130.364.4177.1175.938.5000110.4Q140 L413 A414 L419 N420 R421 R422Q140-D417 PolarHBondContact NE2-OD1 3.14Å; L413-D417 PolarHBondContact O-N 2.88Å; A414-D417 CarbonylContact O-C 3.25Å; A414-D417 VanDerWaalsContact O-C 3.25Å; D417-L419 PolarHBondContact O-N 3.27Å; D417-N420 PolarHBondContact O-N 3.01Å; D417-N420 PolarHBondContact OD1-N 3.02Å; D417-N420 VanDerWaalsContact OD2-CA 3.28Å; D417-N420 WeakPolarHBondContact OD2-CA 3.26Å; D417-R421 VanDerWaalsContact CG-N 3.26Å; D417-R421 WeakPolarHBondContact OD1-CB 3.49Å; D417-R421 PolarHBondContact OD1-N 2.96Å; D417-R421 PolarHBondContact OD2-N 3.31Å; D417-R422 PolarHBondContact O-NH1 3.49Å; D417-R422 WeakPolarHBondContact OD2-CB 3.3Å; D417-R422 WeakPolarHBondContact OD2-CG 3.36Å; D417-R422 PolarHBondContact OD2-N 3.34Å; D417-R422 IonicContact OD2-NH1 2.62Å; D417-R422 PolarHBondContact OD2-NH1 3.37Å
418P92.6Very high87.1Confident33 Ų3362.4 Ų62.421%0.21432%0.323CS..THydrogen-bonded Turntrans-61.4-23.8-179.822.9-34.3000113.4W48 Q140 A143 A414 L416 N420W48-P418 HydrophobicContact CH2-CG 4.2Å; Q140-P418 HydrophobicContact CB-CG 4.27Å; Q140-P418 WeakPolarHBondContact O-CG 3.02Å; A143-P418 HydrophobicContact CB-CB 4.16Å; A143-P418 HydrophobicContact CB-CG 4.12Å; A414-P418 WeakPolarHBondContact O-CA 3.3Å; L416-P418 VanDerWaalsContact C-CD 3.41Å; P418-N420 PolarHBondContact O-N 2.74Å
419L92.9Very high85.1Confident58 Ų5865.1 Ų65.130%0.30435%0.346SS..THydrogen-bonded Turntrans-82.83.6173.9-63.1174.1000113.5A139 Q140 A143 A204 D417 R421A139-L419 HydrophobicContact CB-CD1 4Å; Q140-L419 HydrophobicContact CG-CD1 4.33Å; A143-L419 HydrophobicContact CB-CD2 3.61Å; A143-L419 HydrophobicContact CB-CG 3.89Å; A204-L419 HydrophobicContact CB-CD1 3.62Å; D417-L419 PolarHBondContact O-N 3.27Å; L419-R421 HydrophobicContact CB-CG 4.17Å; L419-R421 PolarHBondContact O-N 3.47Å
420N92.7Very high82.8Confident71 Ų7165.9 Ų65.938%0.3835%0.35SS..  trans52.534.5177.2-62.7-65.6000114.3D417 P418 R422 L423D417-N420 PolarHBondContact O-N 3.01Å; D417-N420 PolarHBondContact OD1-N 3.02Å; D417-N420 VanDerWaalsContact OD2-CA 3.28Å; D417-N420 WeakPolarHBondContact OD2-CA 3.26Å; P418-N420 PolarHBondContact O-N 2.74Å; N420-R422 PolarHBondContact O-N 3.38Å; N420-R422 PolarHBondContact OD1-NH1 3.12Å; N420-R422 PolarHBondContact OD1-NH2 2.85Å; N420-L423 HydrophobicContact CB-CD1 3.92Å; N420-L423 HydrophobicContact CB-CG 4.16Å; N420-L423 WeakPolarHBondContact O-CB 3.23Å; N420-L423 PolarHBondContact O-N 3.13Å
421R92.2Very high80.5Confident17 Ų1771.7 Ų71.76%0.06439%0.386CS..G310 helixtrans-61.3-29179.4-63.2-169.357.466.922.3112.4A200 E203 A260 F261 D417 L419 L423 S424A200-R421 VanDerWaalsContact CA-CZ 3.43Å; A200-R421 VanDerWaalsContact CA-NH2 3.31Å; A200-R421 PolarHBondContact O-NH1 2.8Å; A200-R421 VanDerWaalsContact O-NH1 3.1Å; E203-R421 IonicContact OE2-CZ 3.89Å; E203-R421 VanDerWaalsContact OE2-CZ 3.27Å; E203-R421 IonicContact OE2-NH1 3.44Å; E203-R421 PolarHBondContact OE2-NH1 2.81Å; E203-R421 IonicContact OE2-NH2 2.87Å; E203-R421 PolarHBondContact OE2-NH2 3.28Å; A260-R421 VanDerWaalsContact O-CZ 3.32Å; A260-R421 PolarHBondContact O-NE 2.92Å; A260-R421 PolarHBondContact O-NH2 3.5Å; F261-R421 HydrophobicContact CB-CB 4.08Å; F261-R421 WeakPolarHBondContact CB-O 3.19Å; F261-R421 HydrophobicContact CD2-CB 4.06Å; F261-R421 HydrophobicContact CG-CB 4.49Å; D417-R421 VanDerWaalsContact CG-N 3.26Å; D417-R421 WeakPolarHBondContact OD1-CB 3.49Å; D417-R421 PolarHBondContact OD1-N 2.96Å; D417-R421 PolarHBondContact OD2-N 3.31Å; L419-R421 HydrophobicContact CB-CG 4.17Å; L419-R421 PolarHBondContact O-N 3.47Å; R421-L423 PolarHBondContact O-N 3.48Å; R421-L423 VanDerWaalsContact O-N 3.12Å; R421-S424 WeakPolarHBondContact O-CB 3.45Å; R421-S424 PolarHBondContact O-N 2.55Å; R421-S424 PolarHBondContact O-OG 3.34Å; R421-S424 VanDerWaalsContact O-OG 3.04Å
422R89Confident78.1Confident60 Ų6077.1 Ų77.123%0.22642%0.419CS..G310 helixtrans-59.3-21.417476.5-170.7176.6-73.2-7.8113.5F261 F334 D417 N420 S424F261-R422 HydrophobicContact CD1-CB 3.97Å; F261-R422 HydrophobicContact CD2-CB 4.26Å; F261-R422 HydrophobicContact CE1-CB 3.88Å; F261-R422 HydrophobicContact CE2-CB 4.18Å; F261-R422 HydrophobicContact CG-CB 4.16Å; F261-R422 HydrophobicContact CZ-CB 3.99Å; F334-R422 HydrophobicContact CD1-CB 4.16Å; F334-R422 HydrophobicContact CE1-CB 4.45Å; D417-R422 PolarHBondContact O-NH1 3.49Å; D417-R422 WeakPolarHBondContact OD2-CB 3.3Å; D417-R422 WeakPolarHBondContact OD2-CG 3.36Å; D417-R422 PolarHBondContact OD2-N 3.34Å; D417-R422 IonicContact OD2-NH1 2.62Å; D417-R422 PolarHBondContact OD2-NH1 3.37Å; N420-R422 PolarHBondContact O-N 3.38Å; N420-R422 PolarHBondContact OD1-NH1 3.12Å; N420-R422 PolarHBondContact OD1-NH2 2.85Å; R422-S424 PolarHBondContact O-N 3.32Å
423L87.8Confident75.8Confident59 Ų5975.8 Ų75.831%0.30942%0.424SS..G310 helixtrans-86.810177.3-48.8-177.1000112N420 R421 T425 E426N420-L423 HydrophobicContact CB-CD1 3.92Å; N420-L423 HydrophobicContact CB-CG 4.16Å; N420-L423 WeakPolarHBondContact O-CB 3.23Å; N420-L423 PolarHBondContact O-N 3.13Å; R421-L423 PolarHBondContact O-N 3.48Å; R421-L423 VanDerWaalsContact O-N 3.12Å; L423-T425 PolarHBondContact O-N 2.88Å; L423-E426 HydrophobicContact CB-CG 4.26Å; L423-E426 HydrophobicContact CD2-CG 4.48Å; L423-E426 WeakPolarHBondContact CD2-OE1 3.37Å; L423-E426 WeakPolarHBondContact O-CB 3.44Å; L423-E426 PolarHBondContact O-N 3.36Å
424S82.1Confident73.3Confident26 Ų2682.5 Ų82.518%0.18245%0.454CS..G310 helixtrans-60.2-23.617860.50000113.4F261 R421 R422F261-S424 PolarHBondContact O-OG 2.82Å; R421-S424 WeakPolarHBondContact O-CB 3.45Å; R421-S424 PolarHBondContact O-N 2.55Å; R421-S424 PolarHBondContact O-OG 3.34Å; R421-S424 VanDerWaalsContact O-OG 3.04Å; R422-S424 PolarHBondContact O-N 3.32Å
425T77.3Confident70.9Confident64 Ų6482.9 Ų82.939%0.39346%0.462SS..G310 helixtrans-83.8-10.9174.8600000113.6I269 L423I269-T425 HydrophobicContact CD1-CG2 3.52Å; L423-T425 PolarHBondContact O-N 2.88Å
426E79.3Confident68.4Low117 Ų11790.6 Ų90.655%0.54750%0.495SS..SBendtrans-82.3136.7179.2-61.3-171.6170.500110.5L423 R428L423-E426 HydrophobicContact CB-CG 4.26Å; L423-E426 HydrophobicContact CD2-CG 4.48Å; L423-E426 WeakPolarHBondContact CD2-OE1 3.37Å; L423-E426 WeakPolarHBondContact O-CB 3.44Å; L423-E426 PolarHBondContact O-N 3.36Å; E426-R428 PolarHBondContact O-N 3.12Å
427A60.1Low66Low101 Ų101100.9 Ų100.984%0.83554%0.535SS*.  trans-62.6114.8175.600000109.5
428R58Low63.4Low216 Ų216109 Ų10982%0.81557%0.573SS**PPolyproline II helixtrans-65.7132.1170-64.1-176.2-176.4-177.62.2108E426 D430E426-R428 PolarHBondContact O-N 3.12Å; R428-D430 PolarHBondContact O-N 3.5Å
429P50.1Low60.8Low117 Ų117116.3 Ų116.376%0.7661%0.605SS**PPolyproline II helixtrans-58.313617821.4-30.3000110.3T431P429-T431 PolarHBondContact O-N 2.89Å
430D44.5Very low58.3Low149 Ų149122.2 Ų122.280%0.79763%0.628SS**PPolyproline II helixtrans-52.7124.7176.2-81.2-30.7000109.5R428 V432R428-D430 PolarHBondContact O-N 3.5Å; D430-V432 WeakPolarHBondContact O-CG2 3.49Å; D430-V432 PolarHBondContact O-N 3.39Å
431T43.5Very low55.9Low132 Ų132124.5 Ų124.581%0.8165%0.647SS**  trans-73.482.8175.8-48.30000108.1P429 V433P429-T431 PolarHBondContact O-N 2.89Å; T431-V433 PolarHBondContact O-N 2.9Å
432V41.6Very low53.4Low119 Ų119135.5 Ų135.572%0.72169%0.688SS**  trans-70.1102.7176.3-147.40000107.3D430 Q434D430-V432 WeakPolarHBondContact O-CG2 3.49Å; D430-V432 PolarHBondContact O-N 3.39Å; V432-Q434 PolarHBondContact O-N 3.18Å
433V44.6Very low51.1Low128 Ų128142.4 Ų142.478%0.77672%0.72SS**  trans-61.4101.4169.9179.80000106.7T431 G435T431-V433 PolarHBondContact O-N 2.9Å; V433-G435 PolarHBondContact O-N 2.86Å
434Q40.9Very low48.9Very low181 Ų181148.8 Ų148.885%0.84675%0.748SS**  trans-69.284.3172.4-74-166-7.400108.6V432 K436V432-Q434 PolarHBondContact O-N 3.18Å; Q434-K436 PolarHBondContact O-N 3.37Å
435G40.8Very low46.9Very low53 Ų53158.8 Ų158.855%0.54678%0.782SS.*  trans-63.9102.1166.400000108.7V433 Y437V433-G435 PolarHBondContact O-N 2.86Å; G435-Y437 VanDerWaalsContact C-N 3.31Å; G435-Y437 PolarHBondContact O-N 3.03Å
436K39.5Very low45.2Very low196 Ų196165.8 Ų165.885%0.85280%0.803SS**  trans-61.795.6166.3-78.3-175.6177.1178.40108.1Q434 E438Q434-K436 PolarHBondContact O-N 3.37Å; K436-E438 VanDerWaalsContact C-N 3.32Å; K436-E438 PolarHBondContact O-N 3.01Å
437Y41.8Very low43.3Very low220 Ų220167.6 Ų167.686%0.86382%0.816SS**  trans-66.995.2162.8-88.4-89.1000107.9G435 Q439G435-Y437 VanDerWaalsContact C-N 3.31Å; G435-Y437 PolarHBondContact O-N 3.03Å; Y437-Q439 PolarHBondContact O-N 2.75Å
438E40.8Very low42.2Very low171 Ų171169 Ų16980%0.79981%0.814SS**  trans-62.1100.6165.7-75.5-175.216300109K436 K440K436-E438 VanDerWaalsContact C-N 3.32Å; K436-E438 PolarHBondContact O-N 3.01Å; E438-K440 PolarHBondContact O-N 3.33Å
439Q38.1Very low40.9Very low187 Ų187166.3 Ų166.387%0.87482%0.815SS**  trans-65.197.2167.3-73.7-175.41.900108.8Y437Y437-Q439 PolarHBondContact O-N 2.75Å
440K39.5Very low40.6Very low182 Ų182170.8 Ų170.879%0.79184%0.84SS**  trans-62.8125.4166.7-79.5-176.9177.4175.40109.1E438 R442E438-K440 PolarHBondContact O-N 3.33Å; K440-R442 PolarHBondContact O-N 2.7Å
441P42.4Very low40.4Very low120 Ų120171.9 Ų171.978%0.77984%0.842SS**  trans-65.6128.1-177.623.8-30.8000110.7K443P441-K443 PolarHBondContact O-N 2.83Å; P441-K443 VanDerWaalsContact O-N 3.16Å
442R39.7Very low40.2Very low248 Ų248173.9 Ų173.994%0.93684%0.843SS**  trans-57.6115.1172.4-81.2178.6168.3176.7-3.2109K440 Q444K440-R442 PolarHBondContact O-N 2.7Å; R442-Q444 PolarHBondContact O-N 2.94Å
443K41.8Very low40.1Very low204 Ų204177 Ų17789%0.88785%0.85SS**  trans-52.2126.4172.5-75.2-177.1173.7-1780110P441P441-K443 PolarHBondContact O-N 2.83Å; P441-K443 VanDerWaalsContact O-N 3.16Å
444Q41.6Very low39.9Very low194 Ų194179.9 Ų179.991%0.90786%0.855SS**  trans-55.2135.2175.6-79.5165.1-28.400110.9R442R442-Q444 PolarHBondContact O-N 2.94Å
445R38.7Very low39.8Very low236 Ų236179.8 Ų179.889%0.89186%0.855SS**  trans-85.8110.5-176-143.5177.3-173.5176.9-0.1107.8
446Y41.3Very low39.7Very low210 Ų210188.3 Ų188.382%0.82488%0.876SS**  trans19.9106.4152.6-58-86.7000117.9V448Y446-V448 PolarHBondContact O-N 2.93Å
447D39.5Very low39.8Very low156 Ų156187.7 Ų187.783%0.83488%0.877SS**  trans-65114.5153.6-70.2-43.9000108.9
448V37.7Very low39.6Very low131 Ų131185.2 Ų185.279%0.79488%0.879SS**  trans-90.8100163.8179.40000106.2Y446Y446-V448 PolarHBondContact O-N 2.93Å
449L31.3Very low39.5Very low158 Ų158186.4 Ų186.483%0.82789%0.885SS**  trans-128.294.1165.7-80.1168000107.4
450V42.4Very low39.6Very low211 Ų211186.4 Ų186.4100%1.27989%0.886SS**  trans156.70136.2177.90000107.9

Retrieved 450 of 450 residues in 1487.5 ms (Link to these results)

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