A0A5K4F635_SCHMA Loading...

Chloride channel CLIC-like protein 1

AlphaFold DB , UniProt , Accession A0A5K4F635, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 346 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
1M35Very low54Low246 Ų246134.5 Ų134.5100%1.21268%0.683SS**  0100.20-154.9161.4-174.400105.6L3M1-L3 PolarHBondContact O-N 3.35Å
2S37.1Very low56.8Low100 Ų100126.9 Ų126.970%0.69964%0.644SS**  trans-72.6122.4-177.744.90000109.1Y4S2-Y4 PolarHBondContact O-N 3.05Å
3L38.7Very low59.1Low161 Ų161121.5 Ų121.584%0.84362%0.618SS**  trans-61.8106.6163.8-84.9143.3000107.4M1 N5M1-L3 PolarHBondContact O-N 3.35Å; L3-N5 PolarHBondContact O-N 3.43Å
4Y42Very low61.1Low205 Ų205121.5 Ų121.580%0.80463%0.63SS**  trans-66.8118.7158-94.1-95.1000106.3S2 D6S2-Y4 PolarHBondContact O-N 3.05Å; Y4-D6 PolarHBondContact O-N 3.38Å
5N43.6Very low63Low103 Ų103119.5 Ų119.555%0.55163%0.631SS**  trans-68.5117.2170.6-73.5-16.6000108L3 E7 D8L3-N5 PolarHBondContact O-N 3.43Å; N5-E7 PolarHBondContact O-N 3.49Å; N5-D8 PolarHBondContact O-N 3.13Å
6D51.4Low64.5Low133 Ų133115.1 Ų115.171%0.71160%0.604SS**THydrogen-bonded Turntrans-57.8-15.4175.9-104.9-29.8000112.9Y4 D8 K33Y4-D6 PolarHBondContact O-N 3.38Å; D6-D8 VanDerWaalsContact C-N 3.35Å; D6-D8 PolarHBondContact O-N 3Å; D6-K33 PolarHBondContact O-NZ 2.73Å
7E55.2Low65.8Low164 Ų164118.2 Ų118.277%0.76661%0.614SS**THydrogen-bonded Turntrans-65-34.4178.3-58.6-169.4167.200112.4N5 K33N5-E7 PolarHBondContact O-N 3.49Å; E7-K33 VanDerWaalsContact C-NZ 3.33Å; E7-K33 PolarHBondContact O-NZ 3.26Å
8D60.6Low67Low133 Ų133114.6 Ų114.671%0.71160%0.596SS**SBendtrans-91.3-7.6-176.9-69.8-38.7000114.6N5 D6 I10N5-D8 PolarHBondContact O-N 3.13Å; D6-D8 VanDerWaalsContact C-N 3.35Å; D6-D8 PolarHBondContact O-N 3Å; D8-I10 PolarHBondContact O-N 2.77Å; D8-I10 VanDerWaalsContact O-N 3.13Å
9L70.5Confident67.9Low94 Ų94111.2 Ų111.249%0.49258%0.578SS.*  trans-71.2111.3178.9-163.375.8000110.1I11 K33L9-I11 HydrophobicContact CD2-CD1 4.38Å; L9-I11 HydrophobicContact CD2-CG1 4.36Å; L9-K33 PolarHBondContact O-NZ 3.5Å
10I78Confident68.7Low74 Ų74110.6 Ų110.638%0.37958%0.579SS.*PPolyproline II helixtrans-97.2118173.9-55.9174.4000109D8 I12 L19 D29 I35D8-I10 PolarHBondContact O-N 2.77Å; D8-I10 VanDerWaalsContact O-N 3.13Å; I10-I12 HydrophobicContact CG2-CG2 4.4Å; I10-L19 HydrophobicContact CD1-CD2 4.14Å; I10-L19 HydrophobicContact CG2-CD1 3.76Å; I10-D29 VanDerWaalsContact CA-OD2 3.25Å; I10-D29 WeakPolarHBondContact CA-OD2 3.25Å; I10-D29 HydrophobicContact CG2-CB 4.16Å; I10-I35 HydrophobicContact CD1-CG2 4.42Å; I10-I35 HydrophobicContact CG2-CD1 3.91Å; I10-I35 HydrophobicContact CG2-CG1 4.2Å; I10-I35 HydrophobicContact CG2-CG2 4.33Å
11I82.4Confident69.5Low67 Ų67107.4 Ų107.434%0.34456%0.563SS.*PPolyproline II helixtrans-97.8116.9176.2-50.2-164.5000110L9 D29 L30 I31L9-I11 HydrophobicContact CD2-CD1 4.38Å; L9-I11 HydrophobicContact CD2-CG1 4.36Å; I11-D29 VanDerWaalsContact N-CG 3.29Å; I11-D29 PolarHBondContact N-OD2 2.85Å; I11-L30 HydrophobicContact CG2-CB 4.47Å; I11-L30 HydrophobicContact CG2-CD1 4.12Å; I11-L30 PolarHBondContact O-N 3.34Å; I11-I31 HydrophobicContact CB-CD1 4.48Å; I11-I31 HydrophobicContact CD1-CD1 3.51Å; I11-I31 HydrophobicContact CD1-CG1 4.2Å; I11-I31 HydrophobicContact CG1-CD1 3.81Å; I11-I31 HydrophobicContact CG1-CG1 4.49Å
12I87.1Confident72Confident43 Ų4395.8 Ų95.822%0.22151%0.506CS..PPolyproline II helixtrans-100.9156.1172.262.5175.6000110.6I10 L19 F22I10-I12 HydrophobicContact CG2-CG2 4.4Å; I12-L19 HydrophobicContact CG2-CD1 3.41Å; I12-L19 VanDerWaalsContact CG2-CD1 3.41Å; I12-F22 HydrophobicContact CB-CB 4.24Å; I12-F22 HydrophobicContact CB-CD1 4.41Å; I12-F22 HydrophobicContact CB-CD2 4.02Å; I12-F22 HydrophobicContact CB-CG 3.96Å; I12-F22 HydrophobicContact CG2-CB 4.01Å; I12-F22 HydrophobicContact CG2-CD1 3.91Å; I12-F22 HydrophobicContact CG2-CD2 4.39Å; I12-F22 HydrophobicContact CG2-CG 3.84Å
13D86.4Confident74.3Confident57 Ų5796.8 Ų96.831%0.30549%0.494SS..PPolyproline II helixtrans-63.7126.5168.9-173.8-49000109.6S15 Y16 F22 L30D13-S15 VanDerWaalsContact CG-OG 3.24Å; D13-S15 PolarHBondContact O-N 3.2Å; D13-S15 VanDerWaalsContact O-N 3.08Å; D13-S15 VanDerWaalsContact OD1-CB 3.24Å; D13-S15 WeakPolarHBondContact OD1-CB 3.4Å; D13-S15 PolarHBondContact OD1-N 2.79Å; D13-S15 PolarHBondContact OD1-OG 2.79Å; D13-Y16 HydrophobicContact CB-CD2 4.02Å; D13-Y16 HydrophobicContact CB-CE2 4.44Å; D13-Y16 PolarHBondContact O-N 2.78Å; D13-F22 HydrophobicContact CB-CD2 4.15Å; D13-F22 HydrophobicContact CB-CE2 3.75Å; D13-L30 HydrophobicContact CB-CD1 4.44Å; D13-L30 HydrophobicContact CB-CD2 4.41Å
14P87.4Confident76.6Confident121 Ų12195.9 Ų95.979%0.78648%0.484SS*.THydrogen-bonded Turntrans-66.9-7.2-176.428.9-36.8000114.3Y16P14-Y16 PolarHBondContact O-N 3.13Å
15S89.2Confident78.7Confident91 Ų9191.1 Ų91.164%0.63647%0.472SS*.THydrogen-bonded Turntrans-69.4-17.6167.161.70000113.3D13D13-S15 VanDerWaalsContact CG-OG 3.24Å; D13-S15 PolarHBondContact O-N 3.2Å; D13-S15 VanDerWaalsContact O-N 3.08Å; D13-S15 VanDerWaalsContact OD1-CB 3.24Å; D13-S15 WeakPolarHBondContact OD1-CB 3.4Å; D13-S15 PolarHBondContact OD1-N 2.79Å; D13-S15 PolarHBondContact OD1-OG 2.79Å
16Y87.8Confident80.7Confident50 Ų5091.9 Ų91.920%0.19647%0.468CS..SBendtrans-94.9126.4175.9-71.2-99.2000111.4D13 P14 N18 N21 F22 D25 Y26D13-Y16 HydrophobicContact CB-CD2 4.02Å; D13-Y16 HydrophobicContact CB-CE2 4.44Å; D13-Y16 PolarHBondContact O-N 2.78Å; P14-Y16 PolarHBondContact O-N 3.13Å; Y16-N18 PolarHBondContact O-N 3.08Å; Y16-N18 VanDerWaalsContact O-N 3.15Å; Y16-N21 HydrophobicContact CD1-CB 4.01Å; Y16-F22 VanDerWaalsContact CD1-CA 3.48Å; Y16-F22 HydrophobicContact CD1-CB 4.1Å; Y16-F22 HydrophobicContact CD1-CD2 4.49Å; Y16-F22 AromaticContact CD2-CD2 3.67Å; Y16-F22 HydrophobicContact CD2-CD2 3.67Å; Y16-F22 HydrophobicContact CD2-CE2 4.41Å; Y16-F22 HydrophobicContact CE2-CD2 4.03Å; Y16-F22 HydrophobicContact CG-CB 4.02Å; Y16-F22 AromaticContact CG-CD2 3.92Å; Y16-F22 HydrophobicContact CG-CD2 3.92Å; Y16-F22 HydrophobicContact CG-CG 4.47Å; Y16-D25 VanDerWaalsContact CE1-OD2 3.22Å; Y16-D25 WeakPolarHBondContact CE1-OD2 3.3Å; Y16-D25 PolarHBondContact OH-OD2 3.49Å; Y16-Y26 HydrophobicContact CE2-CE2 4.09Å; Y16-Y26 WeakPolarHBondContact OH-CE2 3.28Å
17E86.9Confident82.2Confident167 Ų16788.9 Ų88.978%0.7845%0.452SS*.SBendtrans-54.7-33.6178.9-178.6-171.6-158.100113.9N21E17-N21 PolarHBondContact OE2-ND2 3.3Å; E17-N21 VanDerWaalsContact OE2-ND2 3.14Å
18N86.8Confident83.5Confident53 Ų5386.1 Ų86.128%0.28344%0.435SS..SBendtrans-162.1166.4-177.457.366.8000112Y16 T20 N21 F22Y16-N18 PolarHBondContact O-N 3.08Å; Y16-N18 VanDerWaalsContact O-N 3.15Å; N18-T20 PolarHBondContact O-N 2.91Å; N18-T20 WeakPolarHBondContact OD1-CA 3.26Å; N18-T20 VanDerWaalsContact OD1-CB 3.28Å; N18-T20 WeakPolarHBondContact OD1-CB 3.49Å; N18-T20 PolarHBondContact OD1-N 3.38Å; N18-T20 VanDerWaalsContact OD1-N 3.08Å; N18-N21 PolarHBondContact ND2-ND2 3.34Å; N18-N21 PolarHBondContact O-N 2.91Å; N18-N21 VanDerWaalsContact O-N 3.11Å; N18-N21 PolarHBondContact OD1-N 3.41Å; N18-F22 PolarHBondContact O-N 2.78Å; N18-F22 VanDerWaalsContact O-N 3.11Å
19L83.3Confident84.7Confident50 Ų5080.1 Ų80.126%0.26240%0.403SS..Hα-helixtrans-56-33.3177.9-173.163.2000113.5I10 I12 F22 R23 I35I10-L19 HydrophobicContact CD1-CD2 4.14Å; I10-L19 HydrophobicContact CG2-CD1 3.76Å; I12-L19 HydrophobicContact CG2-CD1 3.41Å; I12-L19 VanDerWaalsContact CG2-CD1 3.41Å; L19-F22 PolarHBondContact O-N 3.31Å; L19-R23 HydrophobicContact CD1-CG 4.48Å; L19-R23 HydrophobicContact CG-CG 4.38Å; L19-R23 VanDerWaalsContact O-CB 3.31Å; L19-R23 WeakPolarHBondContact O-CB 3.41Å; L19-R23 WeakPolarHBondContact O-CG 3.4Å; L19-R23 PolarHBondContact O-N 3.46Å; L19-I35 HydrophobicContact CD1-CD1 4.05Å; L19-I35 HydrophobicContact CD1-CG2 3.67Å; L19-I35 HydrophobicContact CD2-CG2 4.45Å; L19-I35 HydrophobicContact CG-CG2 4.3Å
20T84.8Confident85.3Confident99 Ų9980.6 Ų80.661%0.60741%0.406SS*.Hα-helixtrans-70.5-32.9179.7-50.50000112.2N18N18-T20 PolarHBondContact O-N 2.91Å; N18-T20 WeakPolarHBondContact OD1-CA 3.26Å; N18-T20 VanDerWaalsContact OD1-CB 3.28Å; N18-T20 WeakPolarHBondContact OD1-CB 3.49Å; N18-T20 PolarHBondContact OD1-N 3.38Å; N18-T20 VanDerWaalsContact OD1-N 3.08Å
21N85.3Confident85.6Confident44 Ų4482.4 Ų82.424%0.23542%0.415CS..Hα-helixtrans-74.1-43.3172.5-72.9-26.3000110.6Y16 E17 N18 R23 K24Y16-N21 HydrophobicContact CD1-CB 4.01Å; E17-N21 PolarHBondContact OE2-ND2 3.3Å; E17-N21 VanDerWaalsContact OE2-ND2 3.14Å; N18-N21 PolarHBondContact ND2-ND2 3.34Å; N18-N21 PolarHBondContact O-N 2.91Å; N18-N21 VanDerWaalsContact O-N 3.11Å; N18-N21 PolarHBondContact OD1-N 3.41Å; N21-R23 PolarHBondContact O-N 3.43Å; N21-K24 WeakPolarHBondContact O-CB 3.24Å; N21-K24 PolarHBondContact O-N 2.98Å; N21-K24 PolarHBondContact OD1-NZ 2.88Å
22F88.1Confident85.5Confident3 Ų381.2 Ų81.21%0.01342%0.419CS..Hα-helixtrans-60.5-42.8177.3-172.9-90.9000112.6I12 D13 Y16 N18 L19 K24 D25 Y26 Y28 L30 I35I12-F22 HydrophobicContact CB-CB 4.24Å; I12-F22 HydrophobicContact CB-CD1 4.41Å; I12-F22 HydrophobicContact CB-CD2 4.02Å; I12-F22 HydrophobicContact CB-CG 3.96Å; I12-F22 HydrophobicContact CG2-CB 4.01Å; I12-F22 HydrophobicContact CG2-CD1 3.91Å; I12-F22 HydrophobicContact CG2-CD2 4.39Å; I12-F22 HydrophobicContact CG2-CG 3.84Å; D13-F22 HydrophobicContact CB-CD2 4.15Å; D13-F22 HydrophobicContact CB-CE2 3.75Å; Y16-F22 VanDerWaalsContact CD1-CA 3.48Å; Y16-F22 HydrophobicContact CD1-CB 4.1Å; Y16-F22 HydrophobicContact CD1-CD2 4.49Å; Y16-F22 AromaticContact CD2-CD2 3.67Å; Y16-F22 HydrophobicContact CD2-CD2 3.67Å; Y16-F22 HydrophobicContact CD2-CE2 4.41Å; Y16-F22 HydrophobicContact CE2-CD2 4.03Å; Y16-F22 HydrophobicContact CG-CB 4.02Å; Y16-F22 AromaticContact CG-CD2 3.92Å; Y16-F22 HydrophobicContact CG-CD2 3.92Å; Y16-F22 HydrophobicContact CG-CG 4.47Å; N18-F22 PolarHBondContact O-N 2.78Å; N18-F22 VanDerWaalsContact O-N 3.11Å; L19-F22 PolarHBondContact O-N 3.31Å; F22-K24 PolarHBondContact O-N 3.39Å; F22-D25 PolarHBondContact O-N 3.36Å; F22-D25 VanDerWaalsContact O-N 3.15Å; F22-Y26 HydrophobicContact CD2-CD2 4.04Å; F22-Y26 HydrophobicContact CE1-CD2 4.27Å; F22-Y26 HydrophobicContact CE1-CG 4.22Å; F22-Y26 AromaticContact CE2-CD2 3.63Å; F22-Y26 HydrophobicContact CE2-CD2 3.63Å; F22-Y26 HydrophobicContact CE2-CE2 4.2Å; F22-Y26 HydrophobicContact CE2-CG 4.24Å; F22-Y26 AromaticContact CZ-CD2 3.77Å; F22-Y26 HydrophobicContact CZ-CD2 3.77Å; F22-Y26 AromaticContact CZ-CG 3.89Å; F22-Y26 HydrophobicContact CZ-CG 3.89Å; F22-Y26 PolarHBondContact O-N 2.58Å; F22-Y28 VanDerWaalsContact CE1-O 3.3Å; F22-Y28 WeakPolarHBondContact CE1-O 3.37Å; F22-L30 HydrophobicContact CZ-CD2 4.47Å; F22-I35 HydrophobicContact CD1-CD1 3.55Å; F22-I35 HydrophobicContact CE1-CD1 3.44Å; F22-I35 VanDerWaalsContact CE1-CD1 3.44Å
23R85.3Confident85Confident120 Ų12082 Ų8245%0.45342%0.421SS..Hα-helixtrans-61.1-11.1176.2-79.2175.1-179.1-156.8-5.6115.5L19 N21 I35L19-R23 HydrophobicContact CD1-CG 4.48Å; L19-R23 HydrophobicContact CG-CG 4.38Å; L19-R23 VanDerWaalsContact O-CB 3.31Å; L19-R23 WeakPolarHBondContact O-CB 3.41Å; L19-R23 WeakPolarHBondContact O-CG 3.4Å; L19-R23 PolarHBondContact O-N 3.46Å; N21-R23 PolarHBondContact O-N 3.43Å; R23-I35 HydrophobicContact CG-CB 4.3Å; R23-I35 HydrophobicContact CG-CG2 3.75Å
24K85.4Confident84.6Confident143 Ų14380.3 Ų80.362%0.62242%0.415SS*.Hα-helixtrans-78.4-33.1175.7-67.9166.8-173.9166.70111.8N21 F22N21-K24 WeakPolarHBondContact O-CB 3.24Å; N21-K24 PolarHBondContact O-N 2.98Å; N21-K24 PolarHBondContact OD1-NZ 2.88Å; F22-K24 PolarHBondContact O-N 3.39Å
25D87.5Confident84.1Confident105 Ų10574.9 Ų74.956%0.56138%0.379SS*.Hα-helixtrans-106.5-26.2-172.2-58.6-22.9000111.8Y16 F22Y16-D25 VanDerWaalsContact CE1-OD2 3.22Å; Y16-D25 WeakPolarHBondContact CE1-OD2 3.3Å; Y16-D25 PolarHBondContact OH-OD2 3.49Å; F22-D25 PolarHBondContact O-N 3.36Å; F22-D25 VanDerWaalsContact O-N 3.15Å
26Y84.5Confident83.1Confident118 Ų11871 Ų7146%0.46335%0.354SS..  trans-130130.5-176.2-60.4-78.1000113.5Y16 F22Y16-Y26 HydrophobicContact CE2-CE2 4.09Å; Y16-Y26 WeakPolarHBondContact OH-CE2 3.28Å; F22-Y26 HydrophobicContact CD2-CD2 4.04Å; F22-Y26 HydrophobicContact CE1-CD2 4.27Å; F22-Y26 HydrophobicContact CE1-CG 4.22Å; F22-Y26 AromaticContact CE2-CD2 3.63Å; F22-Y26 HydrophobicContact CE2-CD2 3.63Å; F22-Y26 HydrophobicContact CE2-CE2 4.2Å; F22-Y26 HydrophobicContact CE2-CG 4.24Å; F22-Y26 AromaticContact CZ-CD2 3.77Å; F22-Y26 HydrophobicContact CZ-CD2 3.77Å; F22-Y26 AromaticContact CZ-CG 3.89Å; F22-Y26 HydrophobicContact CZ-CG 3.89Å; F22-Y26 PolarHBondContact O-N 2.58Å
27D82.7Confident82.2Confident71 Ų7174.4 Ų74.438%0.3838%0.375SS..SBendtrans-78.7-17.3172-94.7-38.8000112.9I35 G36 A39D27-I35 PolarHBondContact O-N 2.85Å; D27-G36 PolarHBondContact O-N 2.93Å; D27-A39 HydrophobicContact CB-CB 4.07Å
28Y84.1Confident81.5Confident105 Ų10575 Ų7541%0.41237%0.37SS..BIsolated β-bridgetrans-132.7148.1-174.7-60.4-92.3000112.3F22 G32 K33 A34 A39F22-Y28 VanDerWaalsContact CE1-O 3.3Å; F22-Y28 WeakPolarHBondContact CE1-O 3.37Å; Y28-G32 WeakPolarHBondContact CD1-O 3.26Å; Y28-K33 CarbonylContact C-O 3.56Å; Y28-K33 VanDerWaalsContact CA-O 3.26Å; Y28-K33 WeakPolarHBondContact CA-O 3.4Å; Y28-A34 HydrophobicContact CD1-CB 4.11Å; Y28-A34 HydrophobicContact CE1-CB 3.95Å; Y28-A39 HydrophobicContact CE1-CB 3.98Å; Y28-A39 HydrophobicContact CE2-CB 4.11Å
29D84.5Confident80.7Confident7 Ų772.6 Ų72.64%0.03736%0.357CS..  trans-69.7162.1172.2153.9-14.1000110.7I10 I11 I31 G32 K33 I35I10-D29 VanDerWaalsContact CA-OD2 3.25Å; I10-D29 WeakPolarHBondContact CA-OD2 3.25Å; I10-D29 HydrophobicContact CG2-CB 4.16Å; I11-D29 VanDerWaalsContact N-CG 3.29Å; I11-D29 PolarHBondContact N-OD2 2.85Å; D29-I31 PolarHBondContact O-N 3.47Å; D29-I31 VanDerWaalsContact O-N 3.13Å; D29-I31 PolarHBondContact OD1-N 2.97Å; D29-G32 WeakPolarHBondContact O-CA 3.46Å; D29-G32 PolarHBondContact O-N 3.08Å; D29-K33 HydrophobicContact CB-CB 4.14Å; D29-K33 PolarHBondContact N-O 3.49Å; D29-I35 HydrophobicContact CB-CD1 3.7Å; D29-I35 HydrophobicContact CB-CG1 3.73Å; D29-I35 VanDerWaalsContact N-CG1 3.33Å
30L84.6Confident80Confident104 Ų10472.1 Ų72.155%0.54536%0.358SS..THydrogen-bonded Turntrans-55.5-23.4177.3-61-174.5000114.6I11 D13 F22I11-L30 HydrophobicContact CG2-CB 4.47Å; I11-L30 HydrophobicContact CG2-CD1 4.12Å; I11-L30 PolarHBondContact O-N 3.34Å; D13-L30 HydrophobicContact CB-CD1 4.44Å; D13-L30 HydrophobicContact CB-CD2 4.41Å; F22-L30 HydrophobicContact CZ-CD2 4.47Å
31I83.5Confident79.4Confident112 Ų11271.8 Ų71.857%0.57435%0.349SS*.THydrogen-bonded Turntrans-89.5-3.6172.7-50.1165000112.1I11 D29I11-I31 HydrophobicContact CB-CD1 4.48Å; I11-I31 HydrophobicContact CD1-CD1 3.51Å; I11-I31 HydrophobicContact CD1-CG1 4.2Å; I11-I31 HydrophobicContact CG1-CD1 3.81Å; I11-I31 HydrophobicContact CG1-CG1 4.49Å; D29-I31 PolarHBondContact O-N 3.47Å; D29-I31 VanDerWaalsContact O-N 3.13Å; D29-I31 PolarHBondContact OD1-N 2.97Å
32G79.6Confident79.1Confident42 Ų4275.2 Ų75.243%0.43337%0.366SS..  trans84.814.5-177.800000114.7Y28 D29Y28-G32 WeakPolarHBondContact CD1-O 3.26Å; D29-G32 WeakPolarHBondContact O-CA 3.46Å; D29-G32 PolarHBondContact O-N 3.08Å
33K78.1Confident78.4Confident59 Ų5981.3 Ų81.326%0.25740%0.395SS..  trans-70.8135.3169.4-66.7-177.7-179.6179.70110.2D6 E7 L9 Y28 D29 I35D6-K33 PolarHBondContact O-NZ 2.73Å; E7-K33 VanDerWaalsContact C-NZ 3.33Å; E7-K33 PolarHBondContact O-NZ 3.26Å; L9-K33 PolarHBondContact O-NZ 3.5Å; Y28-K33 CarbonylContact C-O 3.56Å; Y28-K33 VanDerWaalsContact CA-O 3.26Å; Y28-K33 WeakPolarHBondContact CA-O 3.4Å; D29-K33 HydrophobicContact CB-CB 4.14Å; D29-K33 PolarHBondContact N-O 3.49Å; K33-I35 PolarHBondContact O-N 3.31Å
34A77.6Confident77.9Confident22 Ų2279.7 Ų79.718%0.18240%0.395CS..BIsolated β-bridgetrans-69.6117.5178.400000111.6Y28 A39 S40Y28-A34 HydrophobicContact CD1-CB 4.11Å; Y28-A34 HydrophobicContact CE1-CB 3.95Å; A34-A39 HydrophobicContact CB-CB 3.63Å; A34-S40 PolarHBondContact O-OG 2.9Å
35I75.7Confident77.4Confident7 Ų775.8 Ų75.84%0.03638%0.384CS..  trans-103-33.3176.7-32.4178.9000112.2I10 L19 F22 R23 D27 D29 K33I10-I35 HydrophobicContact CD1-CG2 4.42Å; I10-I35 HydrophobicContact CG2-CD1 3.91Å; I10-I35 HydrophobicContact CG2-CG1 4.2Å; I10-I35 HydrophobicContact CG2-CG2 4.33Å; L19-I35 HydrophobicContact CD1-CD1 4.05Å; L19-I35 HydrophobicContact CD1-CG2 3.67Å; L19-I35 HydrophobicContact CD2-CG2 4.45Å; L19-I35 HydrophobicContact CG-CG2 4.3Å; F22-I35 HydrophobicContact CD1-CD1 3.55Å; F22-I35 HydrophobicContact CE1-CD1 3.44Å; F22-I35 VanDerWaalsContact CE1-CD1 3.44Å; R23-I35 HydrophobicContact CG-CB 4.3Å; R23-I35 HydrophobicContact CG-CG2 3.75Å; D27-I35 PolarHBondContact O-N 2.85Å; D29-I35 HydrophobicContact CB-CD1 3.7Å; D29-I35 HydrophobicContact CB-CG1 3.73Å; D29-I35 VanDerWaalsContact N-CG1 3.33Å; K33-I35 PolarHBondContact O-N 3.31Å
36G69.6Low76.9Confident10 Ų1074 Ų7410%0.10339%0.385CS..SBendtrans-73136.717800000111.2D27 R38 A39 S40D27-G36 PolarHBondContact O-N 2.93Å; G36-R38 PolarHBondContact O-N 2.97Å; G36-A39 WeakPolarHBondContact O-CA 3.26Å; G36-A39 WeakPolarHBondContact O-CB 3.46Å; G36-A39 PolarHBondContact O-N 3.19Å; G36-S40 PolarHBondContact O-N 3.31Å; G36-S40 PolarHBondContact O-OG 2.95Å
37L68.5Low76.4Confident122 Ų12269.9 Ų69.964%0.63938%0.378SS*.Hα-helixtrans-48.5-38.2176.3-74163.9000112.3F41 Y48L37-F41 WeakPolarHBondContact O-CB 3.5Å; L37-F41 PolarHBondContact O-N 3.03Å; L37-F41 VanDerWaalsContact O-N 3.08Å; L37-Y48 HydrophobicContact CD2-CE2 3.9Å
38R71.4Confident75.9Confident180 Ų18069.8 Ų69.868%0.67937%0.372SS*.Hα-helixtrans-67.6-43.6177-173-177.4-177.6-168.70.6112.5G36 F41 L42G36-R38 PolarHBondContact O-N 2.97Å; R38-F41 PolarHBondContact O-N 3.48Å; R38-L42 HydrophobicContact CG-CD1 4.12Å; R38-L42 WeakPolarHBondContact O-CB 3.49Å; R38-L42 VanDerWaalsContact O-CG 3.26Å; R38-L42 WeakPolarHBondContact O-CG 3.3Å; R38-L42 PolarHBondContact O-N 3.43Å
39A70.9Confident75.4Confident1 Ų169 Ų691%0.00838%0.375CS..Hα-helixtrans-66.9-43178.200000111.4D27 Y28 A34 G36 F41 L42 Q43D27-A39 HydrophobicContact CB-CB 4.07Å; Y28-A39 HydrophobicContact CE1-CB 3.98Å; Y28-A39 HydrophobicContact CE2-CB 4.11Å; A34-A39 HydrophobicContact CB-CB 3.63Å; G36-A39 WeakPolarHBondContact O-CA 3.26Å; G36-A39 WeakPolarHBondContact O-CB 3.46Å; G36-A39 PolarHBondContact O-N 3.19Å; A39-F41 VanDerWaalsContact C-N 3.33Å; A39-F41 PolarHBondContact O-N 3.08Å; A39-L42 PolarHBondContact O-N 2.96Å; A39-Q43 WeakPolarHBondContact O-CB 3.49Å; A39-Q43 PolarHBondContact O-N 2.89Å
40S67.3Low75.1Confident41 Ų4174.6 Ų74.629%0.28740%0.401SS..Hα-helixtrans-61.7-41.3176.1-47.80000111.7A34 G36 Q43 N44A34-S40 PolarHBondContact O-OG 2.9Å; G36-S40 PolarHBondContact O-N 3.31Å; G36-S40 PolarHBondContact O-OG 2.95Å; S40-Q43 PolarHBondContact O-N 3.05Å; S40-N44 PolarHBondContact O-N 3.24Å; S40-N44 VanDerWaalsContact O-N 3.08Å
41F72.9Confident74.6Confident92 Ų9274.5 Ų74.540%0.40440%0.401SS..Hα-helixtrans-64.6-39.8173.7178.6-98.5000113.1L37 R38 A39 P45 Y48L37-F41 WeakPolarHBondContact O-CB 3.5Å; L37-F41 PolarHBondContact O-N 3.03Å; L37-F41 VanDerWaalsContact O-N 3.08Å; R38-F41 PolarHBondContact O-N 3.48Å; A39-F41 VanDerWaalsContact C-N 3.33Å; A39-F41 PolarHBondContact O-N 3.08Å; F41-P45 HydrophobicContact CD2-CB 4.11Å; F41-P45 HydrophobicContact CE2-CB 3.84Å; F41-P45 HydrophobicContact CZ-CB 4.13Å; F41-P45 VanDerWaalsContact O-CA 3.26Å; F41-P45 WeakPolarHBondContact O-CA 3.16Å; F41-P45 WeakPolarHBondContact O-CB 3.33Å; F41-P45 VanDerWaalsContact O-CD 3.28Å; F41-P45 WeakPolarHBondContact O-CD 3.2Å; F41-P45 VanDerWaalsContact O-N 3.11Å; F41-Y48 HydrophobicContact CB-CD1 4.37Å; F41-Y48 HydrophobicContact CB-CG 4.26Å; F41-Y48 AromaticContact CD2-CD1 3.66Å; F41-Y48 HydrophobicContact CD2-CD1 3.66Å; F41-Y48 HydrophobicContact CD2-CE1 4.22Å; F41-Y48 HydrophobicContact CD2-CG 4.18Å; F41-Y48 HydrophobicContact CG-CD1 4.49Å
42L78.3Confident74.2Confident115 Ų11572.1 Ų72.160%0.60239%0.389SS*.Hα-helixtrans-70.6-34.3178.3-73.8170.6000112.8R38 A39R38-L42 HydrophobicContact CG-CD1 4.12Å; R38-L42 WeakPolarHBondContact O-CB 3.49Å; R38-L42 VanDerWaalsContact O-CG 3.26Å; R38-L42 WeakPolarHBondContact O-CG 3.3Å; R38-L42 PolarHBondContact O-N 3.43Å; A39-L42 PolarHBondContact O-N 2.96Å
43Q73.8Confident74.2Confident131 Ų13174.3 Ų74.361%0.61239%0.39SS*.Hα-helixtrans-77-39.6-179.2-168.9174.717.300112.3A39 S40A39-Q43 WeakPolarHBondContact O-CB 3.49Å; A39-Q43 PolarHBondContact O-N 2.89Å; S40-Q43 PolarHBondContact O-N 3.05Å
44N74.5Confident74.2Confident87 Ų8777.5 Ų77.547%0.46541%0.406SS..  trans-149.886.3175.2-172.2-5.8000111.5S40 A46 G47 Y48S40-N44 PolarHBondContact O-N 3.24Å; S40-N44 VanDerWaalsContact O-N 3.08Å; N44-A46 VanDerWaalsContact C-N 3.26Å; N44-A46 PolarHBondContact O-N 2.87Å; N44-A46 PolarHBondContact OD1-N 2.97Å; N44-G47 PolarHBondContact O-N 2.92Å; N44-G47 PolarHBondContact OD1-N 3.12Å; N44-Y48 WeakPolarHBondContact O-CB 3.38Å; N44-Y48 PolarHBondContact O-N 2.63Å
45P76.1Confident74.3Confident60 Ų6083.4 Ų83.439%0.3943%0.429SS..Hα-helixtrans-65.3-30.8-177.324.6-33.2000112.4F41 L49F41-P45 HydrophobicContact CD2-CB 4.11Å; F41-P45 HydrophobicContact CE2-CB 3.84Å; F41-P45 HydrophobicContact CZ-CB 4.13Å; F41-P45 VanDerWaalsContact O-CA 3.26Å; F41-P45 WeakPolarHBondContact O-CA 3.16Å; F41-P45 WeakPolarHBondContact O-CB 3.33Å; F41-P45 VanDerWaalsContact O-CD 3.28Å; F41-P45 WeakPolarHBondContact O-CD 3.2Å; F41-P45 VanDerWaalsContact O-N 3.11Å; P45-L49 WeakPolarHBondContact O-CB 3.33Å; P45-L49 VanDerWaalsContact O-CG 3.26Å; P45-L49 WeakPolarHBondContact O-CG 3.29Å; P45-L49 PolarHBondContact O-N 2.87Å
46A77.4Confident74.4Confident69 Ų6985.9 Ų85.957%0.5744%0.441SS*.Hα-helixtrans-71-45.7177.600000111.8N44 L49 H50N44-A46 VanDerWaalsContact C-N 3.26Å; N44-A46 PolarHBondContact O-N 2.87Å; N44-A46 PolarHBondContact OD1-N 2.97Å; A46-L49 PolarHBondContact O-N 3.44Å; A46-H50 WeakPolarHBondContact O-CB 3.43Å; A46-H50 PolarHBondContact O-N 3.47Å
47G74.1Confident74.9Confident31 Ų3188.9 Ų88.932%0.3246%0.457SS..Hα-helixtrans-64.7-39.6175.500000112.6N44 H50 N51N44-G47 PolarHBondContact O-N 2.92Å; N44-G47 PolarHBondContact OD1-N 3.12Å; G47-H50 PolarHBondContact O-N 3.35Å; G47-N51 PolarHBondContact O-N 3.11Å
48Y71.1Confident75.5Confident68 Ų6889 Ų8927%0.26746%0.457SS..Hα-helixtrans-61.2-48173.3178.9-92.2000111.9L37 F41 N44 H50 N51 L52L37-Y48 HydrophobicContact CD2-CE2 3.9Å; F41-Y48 HydrophobicContact CB-CD1 4.37Å; F41-Y48 HydrophobicContact CB-CG 4.26Å; F41-Y48 AromaticContact CD2-CD1 3.66Å; F41-Y48 HydrophobicContact CD2-CD1 3.66Å; F41-Y48 HydrophobicContact CD2-CE1 4.22Å; F41-Y48 HydrophobicContact CD2-CG 4.18Å; F41-Y48 HydrophobicContact CG-CD1 4.49Å; N44-Y48 WeakPolarHBondContact O-CB 3.38Å; N44-Y48 PolarHBondContact O-N 2.63Å; Y48-H50 VanDerWaalsContact C-N 3.34Å; Y48-H50 PolarHBondContact O-N 2.96Å; Y48-N51 PolarHBondContact O-N 3.15Å; Y48-L52 HydrophobicContact CD1-CD1 4.49Å; Y48-L52 HydrophobicContact CE1-CD1 3.58Å; Y48-L52 WeakPolarHBondContact O-CB 3.22Å; Y48-L52 PolarHBondContact O-N 2.79Å
49L74.6Confident76Confident90 Ų9086.4 Ų86.447%0.47145%0.453SS..Hα-helixtrans-62.6-40.1176.8-75.3170.8000111.9P45 A46 L52 I53P45-L49 WeakPolarHBondContact O-CB 3.33Å; P45-L49 VanDerWaalsContact O-CG 3.26Å; P45-L49 WeakPolarHBondContact O-CG 3.29Å; P45-L49 PolarHBondContact O-N 2.87Å; A46-L49 PolarHBondContact O-N 3.44Å; L49-L52 PolarHBondContact O-N 3.33Å; L49-I53 WeakPolarHBondContact O-CB 3.37Å; L49-I53 WeakPolarHBondContact O-CD1 3.22Å; L49-I53 WeakPolarHBondContact O-CG1 3.31Å; L49-I53 PolarHBondContact O-N 2.87Å
50H78.6Confident76.6Confident123 Ų12390.8 Ų90.857%0.56948%0.475SS*.Hα-helixtrans-61.3-49176-169.6-43.8000111.6A46 G47 Y48 L52 I53 E54A46-H50 WeakPolarHBondContact O-CB 3.43Å; A46-H50 PolarHBondContact O-N 3.47Å; G47-H50 PolarHBondContact O-N 3.35Å; Y48-H50 VanDerWaalsContact C-N 3.34Å; Y48-H50 PolarHBondContact O-N 2.96Å; H50-L52 VanDerWaalsContact C-N 3.35Å; H50-L52 PolarHBondContact O-N 2.97Å; H50-I53 PolarHBondContact O-N 3.43Å; H50-E54 IonicContact CE1-OE2 3.46Å; H50-E54 PolarHBondContact CE1-OE2 3.08Å; H50-E54 IonicContact ND1-OE2 3.43Å; H50-E54 PolarHBondContact ND1-OE2 3.22Å; H50-E54 VanDerWaalsContact O-CB 3.3Å; H50-E54 WeakPolarHBondContact O-CB 3.36Å; H50-E54 PolarHBondContact O-N 3.11Å
51N73.6Confident77.5Confident103 Ų10393.9 Ų93.955%0.55149%0.488SS*.Hα-helixtrans-64.9-39.3179.5-168.27.4000111.6G47 Y48 E54 Q55G47-N51 PolarHBondContact O-N 3.11Å; Y48-N51 PolarHBondContact O-N 3.15Å; N51-E54 PolarHBondContact O-N 2.93Å; N51-Q55 VanDerWaalsContact O-CB 3.29Å; N51-Q55 WeakPolarHBondContact O-CB 3.3Å; N51-Q55 PolarHBondContact O-N 3.05Å
52L74.6Confident78.2Confident61 Ų6195.3 Ų95.332%0.31950%0.495SS..Hα-helixtrans-64.7-44.3176-164.8157.3000111.5Y48 L49 H50 H56Y48-L52 HydrophobicContact CD1-CD1 4.49Å; Y48-L52 HydrophobicContact CE1-CD1 3.58Å; Y48-L52 WeakPolarHBondContact O-CB 3.22Å; Y48-L52 PolarHBondContact O-N 2.79Å; L49-L52 PolarHBondContact O-N 3.33Å; H50-L52 VanDerWaalsContact C-N 3.35Å; H50-L52 PolarHBondContact O-N 2.97Å; L52-H56 WeakPolarHBondContact O-CB 3.28Å; L52-H56 PolarHBondContact O-N 2.98Å; L52-H56 PolarHBondContact O-ND1 3.15Å
53I79Confident78.8Confident88 Ų8893.9 Ų93.945%0.45149%0.49SS..Hα-helixtrans-60.7-46.8174-71.6163.8000110.4L49 H50 H56 T57L49-I53 WeakPolarHBondContact O-CB 3.37Å; L49-I53 WeakPolarHBondContact O-CD1 3.22Å; L49-I53 WeakPolarHBondContact O-CG1 3.31Å; L49-I53 PolarHBondContact O-N 2.87Å; H50-I53 PolarHBondContact O-N 3.43Å; I53-H56 CarbonylContact O-C 3.43Å; I53-H56 PolarHBondContact O-N 3.41Å; I53-T57 WeakPolarHBondContact O-CA 3.26Å; I53-T57 WeakPolarHBondContact O-CB 3.39Å; I53-T57 PolarHBondContact O-N 3.38Å; I53-T57 PolarHBondContact O-OG1 3.36Å
54E78.7Confident79.5Confident127 Ų12791.1 Ų91.159%0.59349%0.486SS*.Hα-helixtrans-62-48.9-179.4-172.9167-179.100111.5H50 N51 H56 T57H50-E54 IonicContact CE1-OE2 3.46Å; H50-E54 PolarHBondContact CE1-OE2 3.08Å; H50-E54 IonicContact ND1-OE2 3.43Å; H50-E54 PolarHBondContact ND1-OE2 3.22Å; H50-E54 VanDerWaalsContact O-CB 3.3Å; H50-E54 WeakPolarHBondContact O-CB 3.36Å; H50-E54 PolarHBondContact O-N 3.11Å; N51-E54 PolarHBondContact O-N 2.93Å; E54-H56 VanDerWaalsContact C-N 3.33Å; E54-H56 PolarHBondContact O-N 3.05Å; E54-T57 PolarHBondContact O-OG1 3.07Å
55Q79.2Confident80.3Confident145 Ų14592 Ų9268%0.67849%0.49SS*.Hα-helixtrans-62.5-35.8176.8-173.4178.812.400113.1N51N51-Q55 VanDerWaalsContact O-CB 3.29Å; N51-Q55 WeakPolarHBondContact O-CB 3.3Å; N51-Q55 PolarHBondContact O-N 3.05Å
56H78.7Confident81.1Confident60 Ų6094 Ų9428%0.27850%0.496SS..THydrogen-bonded Turntrans-109.217.8-175.1-57.374.6000113.3L52 I53 E54 I58 E59 L60L52-H56 WeakPolarHBondContact O-CB 3.28Å; L52-H56 PolarHBondContact O-N 2.98Å; L52-H56 PolarHBondContact O-ND1 3.15Å; I53-H56 CarbonylContact O-C 3.43Å; I53-H56 PolarHBondContact O-N 3.41Å; E54-H56 VanDerWaalsContact C-N 3.33Å; E54-H56 PolarHBondContact O-N 3.05Å; H56-I58 PolarHBondContact O-N 3.19Å; H56-I58 VanDerWaalsContact O-N 3.15Å; H56-E59 IonicContact CD2-OE2 3.56Å; H56-E59 PolarHBondContact O-N 2.92Å; H56-E59 VanDerWaalsContact O-N 3.09Å; H56-L60 WeakPolarHBondContact O-CB 3.3Å; H56-L60 PolarHBondContact O-N 2.76Å
57T79.9Confident81.8Confident73 Ų7394.2 Ų94.245%0.44849%0.493SS..Hα-helixtrans-55.2-40.8-174-73.30000111.7I53 E54 L61I53-T57 WeakPolarHBondContact O-CA 3.26Å; I53-T57 WeakPolarHBondContact O-CB 3.39Å; I53-T57 PolarHBondContact O-N 3.38Å; I53-T57 PolarHBondContact O-OG1 3.36Å; E54-T57 PolarHBondContact O-OG1 3.07Å; T57-L61 VanDerWaalsContact O-CB 3.3Å; T57-L61 WeakPolarHBondContact O-CB 3.44Å; T57-L61 PolarHBondContact O-N 3.15Å
58I80.7Confident82.7Confident124 Ų12498.3 Ų98.364%0.63650%0.502SS*.Hα-helixtrans-67.3-47.7179.3-61.4173.6000110.9H56 L60 L61 F62H56-I58 PolarHBondContact O-N 3.19Å; H56-I58 VanDerWaalsContact O-N 3.15Å; I58-L60 VanDerWaalsContact C-N 3.34Å; I58-L60 PolarHBondContact O-N 3.44Å; I58-L61 PolarHBondContact O-N 2.96Å; I58-F62 HydrophobicContact CG2-CD2 3.82Å; I58-F62 HydrophobicContact CG2-CE2 3.8Å; I58-F62 VanDerWaalsContact O-CD2 3.31Å; I58-F62 WeakPolarHBondContact O-CD2 3.39Å; I58-F62 PolarHBondContact O-N 2.89Å
59E82.8Confident83.8Confident126 Ų12697 Ų9759%0.58951%0.509SS*.Hα-helixtrans-65.1-37.9179.3-63.4-171.5178.600112.3H56 F62 T63H56-E59 IonicContact CD2-OE2 3.56Å; H56-E59 PolarHBondContact O-N 2.92Å; H56-E59 VanDerWaalsContact O-N 3.09Å; E59-F62 PolarHBondContact O-N 3.33Å; E59-T63 VanDerWaalsContact O-CB 3.3Å; E59-T63 WeakPolarHBondContact O-CB 3.31Å; E59-T63 PolarHBondContact O-N 2.61Å; E59-T63 PolarHBondContact O-OG1 2.9Å
60L83.1Confident84.7Confident92 Ų9298 Ų9848%0.48251%0.514SS..Hα-helixtrans-70-37.3178.2-155.8152.9000110.9H56 I58 S64H56-L60 WeakPolarHBondContact O-CB 3.3Å; H56-L60 PolarHBondContact O-N 2.76Å; I58-L60 VanDerWaalsContact C-N 3.34Å; I58-L60 PolarHBondContact O-N 3.44Å; L60-S64 WeakPolarHBondContact O-CB 3.24Å; L60-S64 PolarHBondContact O-N 3.34Å
61L86Confident85.4Confident107 Ų10798.3 Ų98.356%0.5651%0.514SS*.Hα-helixtrans-63-48.9171.1-170.1161.3000111.3T57 I58 T63 S64 L65T57-L61 VanDerWaalsContact O-CB 3.3Å; T57-L61 WeakPolarHBondContact O-CB 3.44Å; T57-L61 PolarHBondContact O-N 3.15Å; I58-L61 PolarHBondContact O-N 2.96Å; L61-T63 PolarHBondContact O-N 3.43Å; L61-S64 PolarHBondContact O-N 3.36Å; L61-L65 WeakPolarHBondContact O-CB 3.41Å; L61-L65 PolarHBondContact O-N 3.49Å
62F88.2Confident86.3Confident122 Ų12297.2 Ų97.254%0.53551%0.508SS..Hα-helixtrans-61.2-44176.2-87.7-70.3000112.3I58 E59 L65 I66I58-F62 HydrophobicContact CG2-CD2 3.82Å; I58-F62 HydrophobicContact CG2-CE2 3.8Å; I58-F62 VanDerWaalsContact O-CD2 3.31Å; I58-F62 WeakPolarHBondContact O-CD2 3.39Å; I58-F62 PolarHBondContact O-N 2.89Å; E59-F62 PolarHBondContact O-N 3.33Å; F62-L65 PolarHBondContact O-N 2.74Å; F62-I66 WeakPolarHBondContact O-CD1 3.47Å; F62-I66 VanDerWaalsContact O-CG1 3.27Å; F62-I66 WeakPolarHBondContact O-CG1 3.42Å; F62-I66 PolarHBondContact O-N 3.18Å
63T89.3Confident87.1Confident84 Ų8496.2 Ų96.252%0.51551%0.512SS..Hα-helixtrans-62.4-45.2177.8-57.50000110.8E59 L61 L65 I66 C67E59-T63 VanDerWaalsContact O-CB 3.3Å; E59-T63 WeakPolarHBondContact O-CB 3.31Å; E59-T63 PolarHBondContact O-N 2.61Å; E59-T63 PolarHBondContact O-OG1 2.9Å; L61-T63 PolarHBondContact O-N 3.43Å; T63-L65 PolarHBondContact O-N 2.85Å; T63-I66 PolarHBondContact O-N 3.18Å; T63-C67 WeakPolarHBondContact O-CB 3.24Å; T63-C67 PolarHBondContact O-N 2.88Å; T63-C67 PolarHBondContact O-SG 2.73Å; T63-C67 VanDerWaalsContact O-SG 3.34Å
64S89.7Confident87.7Confident74 Ų7495.5 Ų95.552%0.51751%0.512SS..Hα-helixtrans-59.8-43.7174.9-175.20000112.1L60 L61 I66 C67 F68L60-S64 WeakPolarHBondContact O-CB 3.24Å; L60-S64 PolarHBondContact O-N 3.34Å; L61-S64 PolarHBondContact O-N 3.36Å; S64-I66 PolarHBondContact O-N 3.33Å; S64-C67 PolarHBondContact O-N 3.47Å; S64-F68 VanDerWaalsContact O-CB 3.3Å; S64-F68 WeakPolarHBondContact O-CB 3.34Å; S64-F68 PolarHBondContact O-N 2.87Å
65L91.1Very high88.3Confident104 Ų10492.8 Ų92.855%0.54550%0.504SS..Hα-helixtrans-63.3-42.1177.3-171.470000112L61 F62 T63 F68 G69L61-L65 WeakPolarHBondContact O-CB 3.41Å; L61-L65 PolarHBondContact O-N 3.49Å; F62-L65 PolarHBondContact O-N 2.74Å; T63-L65 PolarHBondContact O-N 2.85Å; L65-F68 PolarHBondContact O-N 3.09Å; L65-G69 PolarHBondContact O-N 3.14Å
66I92.4Very high88.8Confident102 Ų10290.2 Ų90.252%0.52350%0.498SS..Hα-helixtrans-64.4-47.8175.6-68.4163.1000110.4F62 T63 S64 F68 G69 I70F62-I66 WeakPolarHBondContact O-CD1 3.47Å; F62-I66 VanDerWaalsContact O-CG1 3.27Å; F62-I66 WeakPolarHBondContact O-CG1 3.42Å; F62-I66 PolarHBondContact O-N 3.18Å; T63-I66 PolarHBondContact O-N 3.18Å; S64-I66 PolarHBondContact O-N 3.33Å; I66-F68 VanDerWaalsContact C-N 3.32Å; I66-F68 PolarHBondContact O-N 3.02Å; I66-G69 PolarHBondContact O-N 2.97Å; I66-I70 HydrophobicContact CG2-CD1 3.87Å; I66-I70 WeakPolarHBondContact O-CG1 3.2Å; I66-I70 PolarHBondContact O-N 3.01Å
67C93.1Very high89.3Confident75 Ų7592.3 Ų92.351%0.50751%0.51SS..Hα-helixtrans-59.6-41.5176.3-72.70000112.2T63 S64 I70 F71T63-C67 WeakPolarHBondContact O-CB 3.24Å; T63-C67 PolarHBondContact O-N 2.88Å; T63-C67 PolarHBondContact O-SG 2.73Å; T63-C67 VanDerWaalsContact O-SG 3.34Å; S64-C67 PolarHBondContact O-N 3.47Å; C67-I70 PolarHBondContact O-N 3.24Å; C67-F71 WeakPolarHBondContact O-CB 3.44Å; C67-F71 PolarHBondContact O-N 3.4Å
68F93Very high89.8Confident116 Ų11694 Ų9451%0.50952%0.516SS..Hα-helixtrans-66.1-41.6176.1-175.2-108.5000112.2S64 L65 I66 F71 L72S64-F68 VanDerWaalsContact O-CB 3.3Å; S64-F68 WeakPolarHBondContact O-CB 3.34Å; S64-F68 PolarHBondContact O-N 2.87Å; L65-F68 PolarHBondContact O-N 3.09Å; I66-F68 VanDerWaalsContact C-N 3.32Å; I66-F68 PolarHBondContact O-N 3.02Å; F68-F71 PolarHBondContact O-N 3.46Å; F68-L72 HydrophobicContact CD1-CD1 3.94Å; F68-L72 HydrophobicContact CD1-CG 4.41Å; F68-L72 HydrophobicContact CE1-CD1 3.42Å; F68-L72 VanDerWaalsContact CE1-CD1 3.42Å; F68-L72 HydrophobicContact CE1-CG 4.07Å; F68-L72 HydrophobicContact CE2-CG 4.42Å; F68-L72 HydrophobicContact CZ-CD1 3.79Å; F68-L72 HydrophobicContact CZ-CD2 4.28Å; F68-L72 HydrophobicContact CZ-CG 4.07Å; F68-L72 WeakPolarHBondContact O-CG 3.3Å; F68-L72 PolarHBondContact O-N 3.22Å
69G93Very high89.9Confident41 Ų4194 Ų9442%0.42351%0.512SS..Hα-helixtrans-61.5-43.1173.900000112.9L65 I66 G73L65-G69 PolarHBondContact O-N 3.14Å; I66-G69 PolarHBondContact O-N 2.97Å; G69-G73 PolarHBondContact O-N 3.04Å
70I94.4Very high90.1Very high110 Ų11091.9 Ų91.956%0.56451%0.507SS*.Hα-helixtrans-62.4-45.9173.9-67.6165.2000110.4I66 C67 G73 V74I66-I70 HydrophobicContact CG2-CD1 3.87Å; I66-I70 WeakPolarHBondContact O-CG1 3.2Å; I66-I70 PolarHBondContact O-N 3.01Å; C67-I70 PolarHBondContact O-N 3.24Å; I70-G73 PolarHBondContact O-N 3.31Å; I70-V74 WeakPolarHBondContact O-CG2 3.27Å; I70-V74 PolarHBondContact O-N 2.89Å
71F93.4Very high90.3Very high131 Ų13191.2 Ų91.258%0.57550%0.504SS*.Hα-helixtrans-59.6-48.9178.3177.5-97.7000112.1C67 F68 G73 V74 V75C67-F71 WeakPolarHBondContact O-CB 3.44Å; C67-F71 PolarHBondContact O-N 3.4Å; F68-F71 PolarHBondContact O-N 3.46Å; F71-G73 VanDerWaalsContact C-N 3.33Å; F71-G73 PolarHBondContact O-N 3.42Å; F71-V74 PolarHBondContact O-N 3.08Å; F71-V75 HydrophobicContact CD1-CG2 4.4Å; F71-V75 HydrophobicContact CE1-CG2 4.01Å; F71-V75 HydrophobicContact CE2-CG2 4.43Å; F71-V75 HydrophobicContact CZ-CG2 4.03Å; F71-V75 WeakPolarHBondContact O-CG2 3.29Å; F71-V75 PolarHBondContact O-N 3.28Å
72L91.1Very high90.2Very high79 Ų7993.8 Ų93.841%0.41451%0.51SS..Hα-helixtrans-60.1-42.4174.4-73.4-178.5000111.9F68 V74 V75 V76F68-L72 HydrophobicContact CD1-CD1 3.94Å; F68-L72 HydrophobicContact CD1-CG 4.41Å; F68-L72 HydrophobicContact CE1-CD1 3.42Å; F68-L72 VanDerWaalsContact CE1-CD1 3.42Å; F68-L72 HydrophobicContact CE1-CG 4.07Å; F68-L72 HydrophobicContact CE2-CG 4.42Å; F68-L72 HydrophobicContact CZ-CD1 3.79Å; F68-L72 HydrophobicContact CZ-CD2 4.28Å; F68-L72 HydrophobicContact CZ-CG 4.07Å; F68-L72 WeakPolarHBondContact O-CG 3.3Å; F68-L72 PolarHBondContact O-N 3.22Å; L72-V74 VanDerWaalsContact C-N 3.34Å; L72-V74 PolarHBondContact O-N 3.5Å; L72-V75 PolarHBondContact O-N 2.85Å; L72-V76 WeakPolarHBondContact O-CG2 3.34Å; L72-V76 PolarHBondContact O-N 3.03Å
73G91.7Very high89.9Confident40 Ų4093.2 Ų93.241%0.41251%0.508SS..Hα-helixtrans-57.3-44.2175.300000112.7G69 I70 F71 L77G69-G73 PolarHBondContact O-N 3.04Å; I70-G73 PolarHBondContact O-N 3.31Å; F71-G73 VanDerWaalsContact C-N 3.33Å; F71-G73 PolarHBondContact O-N 3.42Å; G73-L77 WeakPolarHBondContact O-CB 3.5Å; G73-L77 PolarHBondContact O-N 2.93Å
74V92.4Very high89.6Confident74 Ų7495.4 Ų95.445%0.44851%0.51SS..Hα-helixtrans-64.2-44.4175.1172.10000111.5I70 F71 L72 L77 L78I70-V74 WeakPolarHBondContact O-CG2 3.27Å; I70-V74 PolarHBondContact O-N 2.89Å; F71-V74 PolarHBondContact O-N 3.08Å; L72-V74 VanDerWaalsContact C-N 3.34Å; L72-V74 PolarHBondContact O-N 3.5Å; V74-L77 PolarHBondContact O-N 3.44Å; V74-L78 HydrophobicContact CG1-CD1 4.03Å; V74-L78 HydrophobicContact CG1-CG 4.42Å; V74-L78 WeakPolarHBondContact O-CB 3.43Å; V74-L78 VanDerWaalsContact O-CG 3.29Å; V74-L78 WeakPolarHBondContact O-CG 3.38Å; V74-L78 PolarHBondContact O-N 3.47Å
75V90.4Very high89.4Confident70 Ų7096.4 Ų96.442%0.42451%0.509SS..Hα-helixtrans-62.4-45.4178.61720000111.5F71 L72 L78 F79F71-V75 HydrophobicContact CD1-CG2 4.4Å; F71-V75 HydrophobicContact CE1-CG2 4.01Å; F71-V75 HydrophobicContact CE2-CG2 4.43Å; F71-V75 HydrophobicContact CZ-CG2 4.03Å; F71-V75 WeakPolarHBondContact O-CG2 3.29Å; F71-V75 PolarHBondContact O-N 3.28Å; L72-V75 PolarHBondContact O-N 2.85Å; V75-L78 PolarHBondContact O-N 3.36Å; V75-F79 PolarHBondContact O-N 2.89Å
76V89.9Confident88.8Confident91 Ų9194.4 Ų94.455%0.55250%0.496SS*.Hα-helixtrans-63.7-43.8176172.80000110.9L72 L78 F79 V80L72-V76 WeakPolarHBondContact O-CG2 3.34Å; L72-V76 PolarHBondContact O-N 3.03Å; V76-L78 PolarHBondContact O-N 3.1Å; V76-F79 WeakPolarHBondContact O-CB 3.44Å; V76-F79 PolarHBondContact O-N 3.39Å; V76-V80 HydrophobicContact CG1-CG2 4.39Å; V76-V80 WeakPolarHBondContact O-CG2 3.48Å; V76-V80 PolarHBondContact O-N 3.07Å
77L89.8Confident88.2Confident103 Ų10394.7 Ų94.754%0.53949%0.492SS..Hα-helixtrans-60-44.2177.2-178.564000111.7G73 V74 F79 V80 L81G73-L77 WeakPolarHBondContact O-CB 3.5Å; G73-L77 PolarHBondContact O-N 2.93Å; V74-L77 PolarHBondContact O-N 3.44Å; L77-F79 VanDerWaalsContact C-N 3.32Å; L77-F79 PolarHBondContact O-N 3.07Å; L77-V80 PolarHBondContact O-N 2.93Å; L77-L81 HydrophobicContact CD1-CD1 4.3Å; L77-L81 HydrophobicContact CD1-CG 4.34Å; L77-L81 HydrophobicContact CG-CD1 3.95Å; L77-L81 HydrophobicContact CG-CG 4.43Å; L77-L81 WeakPolarHBondContact O-CB 3.35Å; L77-L81 VanDerWaalsContact O-CG 3.26Å; L77-L81 WeakPolarHBondContact O-CG 3.48Å; L77-L81 PolarHBondContact O-N 3.39Å
78L89.8Confident87.7Confident109 Ų10994.4 Ų94.457%0.57149%0.487SS*.Hα-helixtrans-61.5-39.2175.4-72.1171.5000112.1V74 V75 V76 K82V74-L78 HydrophobicContact CG1-CD1 4.03Å; V74-L78 HydrophobicContact CG1-CG 4.42Å; V74-L78 WeakPolarHBondContact O-CB 3.43Å; V74-L78 VanDerWaalsContact O-CG 3.29Å; V74-L78 WeakPolarHBondContact O-CG 3.38Å; V74-L78 PolarHBondContact O-N 3.47Å; V75-L78 PolarHBondContact O-N 3.36Å; V76-L78 PolarHBondContact O-N 3.1Å; L78-K82 WeakPolarHBondContact O-CB 3.43Å; L78-K82 PolarHBondContact O-N 3.02Å
79F84.1Confident87.2Confident125 Ų12595.7 Ų95.755%0.54849%0.493SS..Hα-helixtrans-66.4-43.5176.3-171.5-105.7000112.3V75 V76 L77 K82 K83V75-F79 PolarHBondContact O-N 2.89Å; V76-F79 WeakPolarHBondContact O-CB 3.44Å; V76-F79 PolarHBondContact O-N 3.39Å; L77-F79 VanDerWaalsContact C-N 3.32Å; L77-F79 PolarHBondContact O-N 3.07Å; F79-K82 PolarHBondContact O-N 3.02Å; F79-K83 HydrophobicContact CD1-CD 4.47Å; F79-K83 HydrophobicContact CE1-CD 4.08Å; F79-K83 VanDerWaalsContact CE1-CE 3.44Å; F79-K83 PolarHBondContact O-N 3.3Å
80V85.4Confident86.4Confident81 Ų8194.6 Ų94.649%0.49148%0.477SS..Hα-helixtrans-64.1-45.5175.2173.20000111V76 L77 K82 K83 F84V76-V80 HydrophobicContact CG1-CG2 4.39Å; V76-V80 WeakPolarHBondContact O-CG2 3.48Å; V76-V80 PolarHBondContact O-N 3.07Å; L77-V80 PolarHBondContact O-N 2.93Å; V80-K82 PolarHBondContact O-N 3.16Å; V80-K83 PolarHBondContact O-N 3.21Å; V80-F84 WeakPolarHBondContact O-CB 3.48Å; V80-F84 PolarHBondContact O-N 3.13Å
81L87.5Confident85.7Confident78 Ų7894.3 Ų94.341%0.40848%0.476SS..Hα-helixtrans-60.2-42.7176.2-75.2169.1000111.9L77 K83 F84 I85L77-L81 HydrophobicContact CD1-CD1 4.3Å; L77-L81 HydrophobicContact CD1-CG 4.34Å; L77-L81 HydrophobicContact CG-CD1 3.95Å; L77-L81 HydrophobicContact CG-CG 4.43Å; L77-L81 WeakPolarHBondContact O-CB 3.35Å; L77-L81 VanDerWaalsContact O-CG 3.26Å; L77-L81 WeakPolarHBondContact O-CG 3.48Å; L77-L81 PolarHBondContact O-N 3.39Å; L81-K83 PolarHBondContact O-N 2.71Å; L81-F84 PolarHBondContact O-N 2.91Å; L81-I85 WeakPolarHBondContact O-CB 3.25Å; L81-I85 VanDerWaalsContact O-CG1 3.28Å; L81-I85 WeakPolarHBondContact O-CG1 3.49Å; L81-I85 PolarHBondContact O-N 3.07Å
82K85.2Confident85.3Confident161 Ų16195.8 Ų95.870%0.748%0.482SS*.Hα-helixtrans-61.7-42.9176.2-172.5175.8179.8-1800111.8L78 F79 V80 H86L78-K82 WeakPolarHBondContact O-CB 3.43Å; L78-K82 PolarHBondContact O-N 3.02Å; F79-K82 PolarHBondContact O-N 3.02Å; V80-K82 PolarHBondContact O-N 3.16Å; K82-H86 PolarHBondContact O-N 3.19Å
83K80.4Confident84.7Confident109 Ų10994.5 Ų94.547%0.47448%0.475SS..Hα-helixtrans-63.2-45.9172.2-78-173.2173-176.40111.7F79 V80 L81 I85 H86 Y87F79-K83 HydrophobicContact CD1-CD 4.47Å; F79-K83 HydrophobicContact CE1-CD 4.08Å; F79-K83 VanDerWaalsContact CE1-CE 3.44Å; F79-K83 PolarHBondContact O-N 3.3Å; V80-K83 PolarHBondContact O-N 3.21Å; L81-K83 PolarHBondContact O-N 2.71Å; K83-I85 PolarHBondContact O-N 2.77Å; K83-H86 WeakPolarHBondContact O-CB 3.35Å; K83-H86 PolarHBondContact O-N 3.14Å; K83-H86 VanDerWaalsContact O-N 3.14Å; K83-Y87 HydrophobicContact CB-CE2 4.26Å; K83-Y87 WeakPolarHBondContact O-CD2 3.5Å; K83-Y87 PolarHBondContact O-N 3.15Å
84F84.5Confident84Confident131 Ų13195.9 Ų95.958%0.57547%0.473SS*.Hα-helixtrans-60.8-46.3-179.9-175.1-99.2000112.3V80 L81 H86 Y87 V88V80-F84 WeakPolarHBondContact O-CB 3.48Å; V80-F84 PolarHBondContact O-N 3.13Å; L81-F84 PolarHBondContact O-N 2.91Å; F84-H86 VanDerWaalsContact C-N 3.26Å; F84-H86 PolarHBondContact O-N 3.21Å; F84-Y87 PolarHBondContact O-N 3.44Å; F84-V88 HydrophobicContact CD1-CG2 4.02Å; F84-V88 HydrophobicContact CE1-CG2 3.63Å; F84-V88 HydrophobicContact CE2-CG2 4.36Å; F84-V88 HydrophobicContact CZ-CG2 3.82Å; F84-V88 WeakPolarHBondContact O-CG2 3.32Å; F84-V88 PolarHBondContact O-N 3.43Å
85I85.5Confident83.5Confident94 Ų9495.7 Ų95.748%0.48247%0.472SS..Hα-helixtrans-59.9-38175.3-68.2163.3000111L81 K83 K89L81-I85 WeakPolarHBondContact O-CB 3.25Å; L81-I85 VanDerWaalsContact O-CG1 3.28Å; L81-I85 WeakPolarHBondContact O-CG1 3.49Å; L81-I85 PolarHBondContact O-N 3.07Å; K83-I85 PolarHBondContact O-N 2.77Å; I85-K89 WeakPolarHBondContact O-CG 3.49Å; I85-K89 PolarHBondContact O-N 2.98Å
86H78.2Confident83.2Confident62 Ų6298.7 Ų98.729%0.28748%0.479SS..Hα-helixtrans-64.5-47.9174.8-174.253.1000111.7K82 K83 F84 V88 K89 L90 Q133K82-H86 PolarHBondContact O-N 3.19Å; K83-H86 WeakPolarHBondContact O-CB 3.35Å; K83-H86 PolarHBondContact O-N 3.14Å; K83-H86 VanDerWaalsContact O-N 3.14Å; F84-H86 VanDerWaalsContact C-N 3.26Å; F84-H86 PolarHBondContact O-N 3.21Å; H86-V88 PolarHBondContact O-N 3.24Å; H86-K89 PolarHBondContact O-N 3.44Å; H86-L90 WeakPolarHBondContact O-CG 3.47Å; H86-L90 PolarHBondContact O-N 3.44Å; H86-Q133 PolarHBondContact CE1-NE2 2.96Å; H86-Q133 PolarHBondContact NE2-NE2 2.91Å
87Y78.4Confident82.6Confident108 Ų10896 Ų9642%0.42446%0.46SS..Hα-helixtrans-60.7-42175.3-71-60000113K83 F84 K89 L90 I91 Y131K83-Y87 HydrophobicContact CB-CE2 4.26Å; K83-Y87 WeakPolarHBondContact O-CD2 3.5Å; K83-Y87 PolarHBondContact O-N 3.15Å; F84-Y87 PolarHBondContact O-N 3.44Å; Y87-K89 VanDerWaalsContact C-N 3.34Å; Y87-K89 PolarHBondContact O-N 2.92Å; Y87-L90 HydrophobicContact CD1-CD1 4.39Å; Y87-L90 PolarHBondContact O-N 3Å; Y87-I91 VanDerWaalsContact O-CG1 3.29Å; Y87-I91 WeakPolarHBondContact O-CG1 3.27Å; Y87-I91 PolarHBondContact O-N 2.78Å; Y87-Y131 HydrophobicContact CE1-CE2 4.1Å
88V83.3Confident82Confident69 Ų6994.8 Ų94.842%0.41845%0.451SS..Hα-helixtrans-63-39.5176.5171.50000111.5F84 H86 K92F84-V88 HydrophobicContact CD1-CG2 4.02Å; F84-V88 HydrophobicContact CE1-CG2 3.63Å; F84-V88 HydrophobicContact CE2-CG2 4.36Å; F84-V88 HydrophobicContact CZ-CG2 3.82Å; F84-V88 WeakPolarHBondContact O-CG2 3.32Å; F84-V88 PolarHBondContact O-N 3.43Å; H86-V88 PolarHBondContact O-N 3.24Å; V88-K92 WeakPolarHBondContact O-CB 3.32Å; V88-K92 PolarHBondContact O-N 2.89Å
89K83.5Confident81.6Confident144 Ų14493.5 Ų93.563%0.62645%0.445SS*.Hα-helixtrans-62.7-42.9173-74.8178.6179.7-174.80111.8I85 H86 Y87 K92 L93I85-K89 WeakPolarHBondContact O-CG 3.49Å; I85-K89 PolarHBondContact O-N 2.98Å; H86-K89 PolarHBondContact O-N 3.44Å; Y87-K89 VanDerWaalsContact C-N 3.34Å; Y87-K89 PolarHBondContact O-N 2.92Å; K89-K92 PolarHBondContact O-N 3.34Å; K89-L93 WeakPolarHBondContact O-CB 3.4Å; K89-L93 PolarHBondContact O-N 2.93Å
90L75.3Confident81.3Confident17 Ų1789.6 Ų89.69%0.08943%0.433CS..Hα-helixtrans-65.3-43.8177.7-71.4163.8000112.3H86 Y87 K92 L93 L94 Y131H86-L90 WeakPolarHBondContact O-CG 3.47Å; H86-L90 PolarHBondContact O-N 3.44Å; Y87-L90 HydrophobicContact CD1-CD1 4.39Å; Y87-L90 PolarHBondContact O-N 3Å; L90-K92 VanDerWaalsContact C-N 3.33Å; L90-K92 PolarHBondContact O-N 3.28Å; L90-L93 PolarHBondContact O-N 2.92Å; L90-L94 WeakPolarHBondContact O-CB 3.42Å; L90-L94 PolarHBondContact O-N 3.44Å; L90-Y131 HydrophobicContact CD1-CD2 3.69Å; L90-Y131 HydrophobicContact CD1-CE2 4.29Å; L90-Y131 HydrophobicContact CD1-CG 4.5Å
91I79.5Confident80.8Confident105 Ų10586 Ų8654%0.53841%0.411SS..Hα-helixtrans-61.3-43.4174.6-67.9163.2000110.2Y87 L93 L94 V95Y87-I91 VanDerWaalsContact O-CG1 3.29Å; Y87-I91 WeakPolarHBondContact O-CG1 3.27Å; Y87-I91 PolarHBondContact O-N 2.78Å; I91-L93 VanDerWaalsContact C-N 3.33Å; I91-L93 PolarHBondContact O-N 2.92Å; I91-L94 PolarHBondContact O-N 2.96Å; I91-V95 HydrophobicContact CG2-CG2 4.36Å; I91-V95 WeakPolarHBondContact O-CB 3.48Å; I91-V95 VanDerWaalsContact O-CG2 3.3Å; I91-V95 WeakPolarHBondContact O-CG2 3.11Å; I91-V95 PolarHBondContact O-N 3.42Å
92K85.6Confident80.5Confident162 Ų16289.9 Ų89.970%0.70442%0.42SS*.Hα-helixtrans-62.3-39.3176.4-173.8175.8-179.5177.60112.2V88 K89 L90 K96V88-K92 WeakPolarHBondContact O-CB 3.32Å; V88-K92 PolarHBondContact O-N 2.89Å; K89-K92 PolarHBondContact O-N 3.34Å; L90-K92 VanDerWaalsContact C-N 3.33Å; L90-K92 PolarHBondContact O-N 3.28Å; K92-K96 WeakPolarHBondContact O-CB 3.28Å; K92-K96 PolarHBondContact O-N 3.38Å
93L78.6Confident80.3Confident52 Ų5286.9 Ų86.927%0.27241%0.411SS..Hα-helixtrans-67.3-47.1175.2-170.2153.9000111K89 L90 I91 V95 K96 E97 V127K89-L93 WeakPolarHBondContact O-CB 3.4Å; K89-L93 PolarHBondContact O-N 2.93Å; L90-L93 PolarHBondContact O-N 2.92Å; I91-L93 VanDerWaalsContact C-N 3.33Å; I91-L93 PolarHBondContact O-N 2.92Å; L93-V95 PolarHBondContact O-N 3.25Å; L93-K96 WeakPolarHBondContact O-CB 3.39Å; L93-K96 PolarHBondContact O-N 3.41Å; L93-K96 VanDerWaalsContact O-N 3.14Å; L93-E97 HydrophobicContact CD2-CG 4.03Å; L93-E97 PolarHBondContact O-N 3.48Å; L93-V127 HydrophobicContact CD2-CB 4.47Å; L93-V127 HydrophobicContact CD2-CG2 3.79Å
94L76.7Confident80.1Confident69 Ų6985.2 Ų85.236%0.36141%0.405SS..Hα-helixtrans-56.2-49174.9-177.2157.8000111.1L90 I91 K96 E97 F98 V127L90-L94 WeakPolarHBondContact O-CB 3.42Å; L90-L94 PolarHBondContact O-N 3.44Å; I91-L94 PolarHBondContact O-N 2.96Å; L94-K96 VanDerWaalsContact C-N 3.31Å; L94-K96 PolarHBondContact O-N 3.34Å; L94-E97 PolarHBondContact O-N 3.35Å; L94-F98 HydrophobicContact CD1-CE2 4.4Å; L94-F98 HydrophobicContact CD2-CD2 3.52Å; L94-F98 HydrophobicContact CD2-CE2 3.9Å; L94-F98 HydrophobicContact CD2-CG 4.44Å; L94-F98 HydrophobicContact CG-CD2 3.72Å; L94-F98 HydrophobicContact CG-CE2 3.86Å; L94-F98 WeakPolarHBondContact O-CB 3.48Å; L94-F98 WeakPolarHBondContact O-CD2 3.36Å; L94-F98 PolarHBondContact O-N 3.09Å; L94-V127 HydrophobicContact CB-CG1 4.19Å; L94-V127 HydrophobicContact CB-CG2 3.83Å; L94-V127 HydrophobicContact CD1-CG1 4.19Å; L94-V127 HydrophobicContact CG-CG2 4.15Å
95V81.9Confident79.8Confident70 Ų7081.2 Ų81.242%0.42439%0.39SS..Hα-helixtrans-62.2-38.1177.7170.40000111.6I91 L93 N99I91-V95 HydrophobicContact CG2-CG2 4.36Å; I91-V95 WeakPolarHBondContact O-CB 3.48Å; I91-V95 VanDerWaalsContact O-CG2 3.3Å; I91-V95 WeakPolarHBondContact O-CG2 3.11Å; I91-V95 PolarHBondContact O-N 3.42Å; L93-V95 PolarHBondContact O-N 3.25Å; V95-N99 VanDerWaalsContact O-CB 3.23Å; V95-N99 WeakPolarHBondContact O-CB 3.22Å; V95-N99 PolarHBondContact O-N 3.06Å; V95-N99 PolarHBondContact O-ND2 3.42Å; V95-N99 VanDerWaalsContact O-ND2 3.15Å
96K84.4Confident79.7Confident132 Ų13283 Ų8357%0.57439%0.394SS*.Hα-helixtrans-62.7-50.4175.1-176.2-163.4171.3-149.90111.3K92 L93 L94 N99 S100K92-K96 WeakPolarHBondContact O-CB 3.28Å; K92-K96 PolarHBondContact O-N 3.38Å; L93-K96 WeakPolarHBondContact O-CB 3.39Å; L93-K96 PolarHBondContact O-N 3.41Å; L93-K96 VanDerWaalsContact O-N 3.14Å; L94-K96 VanDerWaalsContact C-N 3.31Å; L94-K96 PolarHBondContact O-N 3.34Å; K96-N99 PolarHBondContact O-N 3.02Å; K96-S100 PolarHBondContact O-N 3.14Å
97E76Confident79.8Confident34 Ų3485.3 Ų85.316%0.15941%0.405CS..Hα-helixtrans-66.2-45.9-179.4-65-49.5129.700111.6L93 L94 N99 S100 V101 A123 T126L93-E97 HydrophobicContact CD2-CG 4.03Å; L93-E97 PolarHBondContact O-N 3.48Å; L94-E97 PolarHBondContact O-N 3.35Å; E97-N99 VanDerWaalsContact C-N 3.3Å; E97-N99 PolarHBondContact O-N 2.92Å; E97-S100 WeakPolarHBondContact O-CA 3.37Å; E97-S100 VanDerWaalsContact O-CB 3.32Å; E97-S100 WeakPolarHBondContact O-CB 3.38Å; E97-S100 PolarHBondContact O-N 3.26Å; E97-V101 WeakPolarHBondContact O-CG2 3.22Å; E97-V101 PolarHBondContact O-N 3.45Å; E97-A123 HydrophobicContact CB-CB 4.17Å; E97-T126 HydrophobicContact CG-CG2 4.3Å
98F77Confident79.6Confident79 Ų7981.6 Ų81.635%0.34639%0.392SS..Hα-helixtrans-61.8-35.1175.2-90.1-85.5000113.2L94 R102 Y120 V124L94-F98 HydrophobicContact CD1-CE2 4.4Å; L94-F98 HydrophobicContact CD2-CD2 3.52Å; L94-F98 HydrophobicContact CD2-CE2 3.9Å; L94-F98 HydrophobicContact CD2-CG 4.44Å; L94-F98 HydrophobicContact CG-CD2 3.72Å; L94-F98 HydrophobicContact CG-CE2 3.86Å; L94-F98 WeakPolarHBondContact O-CB 3.48Å; L94-F98 WeakPolarHBondContact O-CD2 3.36Å; L94-F98 PolarHBondContact O-N 3.09Å; F98-R102 VanDerWaalsContact O-CB 3.26Å; F98-R102 WeakPolarHBondContact O-CB 3.34Å; F98-R102 PolarHBondContact O-N 3.44Å; F98-Y120 HydrophobicContact CD1-CE1 4.45Å; F98-Y120 HydrophobicContact CE1-CD1 4.18Å; F98-Y120 HydrophobicContact CE1-CE1 4.22Å; F98-V124 HydrophobicContact CZ-CG2 4.37Å
99N81.9Confident79.3Confident82 Ų8286.2 Ų86.244%0.43941%0.406SS..Hα-helixtrans-68.5-38172.5-77.8-28.2000111.9V95 K96 E97 R102 L103V95-N99 VanDerWaalsContact O-CB 3.23Å; V95-N99 WeakPolarHBondContact O-CB 3.22Å; V95-N99 PolarHBondContact O-N 3.06Å; V95-N99 PolarHBondContact O-ND2 3.42Å; V95-N99 VanDerWaalsContact O-ND2 3.15Å; K96-N99 PolarHBondContact O-N 3.02Å; E97-N99 VanDerWaalsContact C-N 3.3Å; E97-N99 PolarHBondContact O-N 2.92Å; N99-R102 PolarHBondContact O-N 3.38Å; N99-L103 WeakPolarHBondContact O-CG 3.29Å; N99-L103 PolarHBondContact O-N 2.85Å
100S79.1Confident79.1Confident43 Ų4387.9 Ų87.930%0.30141%0.414SS..Hα-helixtrans-61-49.3173.1-171.60000111.5K96 E97 R102 L103 Q104K96-S100 PolarHBondContact O-N 3.14Å; E97-S100 WeakPolarHBondContact O-CA 3.37Å; E97-S100 VanDerWaalsContact O-CB 3.32Å; E97-S100 WeakPolarHBondContact O-CB 3.38Å; E97-S100 PolarHBondContact O-N 3.26Å; S100-R102 VanDerWaalsContact C-N 3.29Å; S100-R102 PolarHBondContact O-N 3.37Å; S100-L103 PolarHBondContact O-N 3.05Å; S100-L103 VanDerWaalsContact O-N 3.1Å; S100-Q104 WeakPolarHBondContact O-CG 3.35Å; S100-Q104 PolarHBondContact O-N 3.5Å; S100-Q104 PolarHBondContact OG-NE2 2.97Å
101V75.1Confident79.2Confident6 Ų693.1 Ų93.14%0.03644%0.438CS..Hα-helixtrans-57.3-42.4173.6173.90000111.3E97 L103 Q104 L105 I119 Y120 A123E97-V101 WeakPolarHBondContact O-CG2 3.22Å; E97-V101 PolarHBondContact O-N 3.45Å; V101-L103 VanDerWaalsContact C-N 3.3Å; V101-L103 PolarHBondContact O-N 2.84Å; V101-Q104 PolarHBondContact O-N 3.29Å; V101-L105 VanDerWaalsContact O-CB 3.23Å; V101-L105 WeakPolarHBondContact O-CB 3.41Å; V101-L105 PolarHBondContact O-N 3.09Å; V101-I119 HydrophobicContact CB-CG2 4.24Å; V101-I119 HydrophobicContact CG1-CG2 3.87Å; V101-I119 HydrophobicContact CG2-CG2 3.84Å; V101-Y120 HydrophobicContact CG1-CD1 3.89Å; V101-Y120 HydrophobicContact CG1-CD2 4.1Å; V101-Y120 HydrophobicContact CG1-CE1 3.66Å; V101-Y120 HydrophobicContact CG1-CE2 3.87Å; V101-Y120 HydrophobicContact CG1-CG 4.11Å; V101-A123 HydrophobicContact CG2-CB 3.57Å
102R79.9Confident78.8Confident159 Ų15995.2 Ų95.260%0.645%0.45SS*.Hα-helixtrans-68.4-26.8179-167.8176.9-174.6-1732.9113.2F98 N99 S100 K106F98-R102 VanDerWaalsContact O-CB 3.26Å; F98-R102 WeakPolarHBondContact O-CB 3.34Å; F98-R102 PolarHBondContact O-N 3.44Å; N99-R102 PolarHBondContact O-N 3.38Å; S100-R102 VanDerWaalsContact C-N 3.29Å; S100-R102 PolarHBondContact O-N 3.37Å; R102-K106 WeakPolarHBondContact O-CG 3.39Å; R102-K106 PolarHBondContact O-N 3.24Å
103L81.7Confident78.1Confident97 Ų9792 Ų9251%0.50844%0.44SS..Hα-helixtrans-75.5-50.8172.2-71.8169.4000110.8N99 S100 V101 L105 K106 E107N99-L103 WeakPolarHBondContact O-CG 3.29Å; N99-L103 PolarHBondContact O-N 2.85Å; S100-L103 PolarHBondContact O-N 3.05Å; S100-L103 VanDerWaalsContact O-N 3.1Å; V101-L103 VanDerWaalsContact C-N 3.3Å; V101-L103 PolarHBondContact O-N 2.84Å; L103-L105 PolarHBondContact O-N 3.47Å; L103-K106 WeakPolarHBondContact O-CA 3.38Å; L103-K106 WeakPolarHBondContact O-CB 3.23Å; L103-K106 PolarHBondContact O-N 3.22Å; L103-E107 PolarHBondContact O-N 2.94Å
104Q76.8Confident77.7Confident74 Ų7495 Ų9535%0.34646%0.463SS..Hα-helixtrans-55.7-39.5174.9-68.9172.820.100111.7S100 V101 K106 E107 I108S100-Q104 WeakPolarHBondContact O-CG 3.35Å; S100-Q104 PolarHBondContact O-N 3.5Å; S100-Q104 PolarHBondContact OG-NE2 2.97Å; V101-Q104 PolarHBondContact O-N 3.29Å; Q104-K106 VanDerWaalsContact C-N 3.34Å; Q104-K106 PolarHBondContact O-N 2.94Å; Q104-E107 WeakPolarHBondContact O-CB 3.49Å; Q104-E107 PolarHBondContact O-N 3Å; Q104-I108 WeakPolarHBondContact O-CB 3.48Å; Q104-I108 VanDerWaalsContact O-CG1 3.29Å; Q104-I108 WeakPolarHBondContact O-CG1 3.29Å; Q104-I108 PolarHBondContact O-N 3.48Å
105L77.5Confident77.3Confident47 Ų4795.4 Ų95.425%0.24646%0.464CS..Hα-helixtrans-65.9-33.3175.7-179.556.1000113.2V101 L103 E107 K109 M115 Y120V101-L105 VanDerWaalsContact O-CB 3.23Å; V101-L105 WeakPolarHBondContact O-CB 3.41Å; V101-L105 PolarHBondContact O-N 3.09Å; L103-L105 PolarHBondContact O-N 3.47Å; L105-E107 VanDerWaalsContact C-N 3.34Å; L105-K109 WeakPolarHBondContact O-CB 3.18Å; L105-K109 PolarHBondContact O-N 3.12Å; L105-M115 HydrophobicContact CD1-CE 3.57Å; L105-M115 HydrophobicContact CD1-SD 3.31Å; L105-M115 WeakPolarHBondContact CD1-SD 3.44Å; L105-M115 HydrophobicContact CD2-CE 4.12Å; L105-M115 HydrophobicContact CG-CE 4.5Å; L105-Y120 HydrophobicContact CD2-CE2 4.42Å; L105-Y120 WeakPolarHBondContact CD2-OH 3.45Å
106K82.3Confident76.6Confident133 Ų13395.7 Ų95.758%0.57846%0.463SS*.Hα-helixtrans-68.7-36.2172.9-75.2171.7177.6-175.30111.4R102 L103 Q104 K110R102-K106 WeakPolarHBondContact O-CG 3.39Å; R102-K106 PolarHBondContact O-N 3.24Å; L103-K106 WeakPolarHBondContact O-CA 3.38Å; L103-K106 WeakPolarHBondContact O-CB 3.23Å; L103-K106 PolarHBondContact O-N 3.22Å; Q104-K106 VanDerWaalsContact C-N 3.34Å; Q104-K106 PolarHBondContact O-N 2.94Å; K106-K110 WeakPolarHBondContact O-CB 3.25Å; K106-K110 PolarHBondContact O-N 2.92Å
107E81.2Confident75.8Confident110 Ų11097.5 Ų97.551%0.51447%0.467SS..Hα-helixtrans-68.4-53.7176.6-68.8162.5176.900110.7L103 Q104 L105 K109 K110 E111L103-E107 PolarHBondContact O-N 2.94Å; Q104-E107 WeakPolarHBondContact O-CB 3.49Å; Q104-E107 PolarHBondContact O-N 3Å; L105-E107 VanDerWaalsContact C-N 3.34Å; E107-K109 VanDerWaalsContact C-N 3.26Å; E107-K109 PolarHBondContact O-N 3.33Å; E107-K110 WeakPolarHBondContact O-CA 3.36Å; E107-K110 WeakPolarHBondContact O-CB 3.35Å; E107-K110 PolarHBondContact O-N 3.26Å; E107-E111 PolarHBondContact O-N 3.01Å
108I74.8Confident75.5Confident30 Ų30101.2 Ų101.215%0.15449%0.488CS..Hα-helixtrans-52.8-43.6174.5-69.5165.5000111.4Q104 E111 N112 L113 I119Q104-I108 WeakPolarHBondContact O-CB 3.48Å; Q104-I108 VanDerWaalsContact O-CG1 3.29Å; Q104-I108 WeakPolarHBondContact O-CG1 3.29Å; Q104-I108 PolarHBondContact O-N 3.48Å; I108-E111 PolarHBondContact O-N 3.41Å; I108-N112 PolarHBondContact O-N 3.07Å; I108-L113 HydrophobicContact CG2-CB 3.93Å; I108-L113 WeakPolarHBondContact CG2-O 3.49Å; I108-L113 PolarHBondContact O-N 3.22Å; I108-L113 VanDerWaalsContact O-N 3.11Å; I108-I119 HydrophobicContact CD1-CD1 3.54Å
109K76.9Confident75.1Confident165 Ų16599.1 Ų99.172%0.71748%0.48SS*.Hα-helixtrans-68.8-31.1176.8-175.2173.8-179.5178.70113.3L105 E107 E111L105-K109 WeakPolarHBondContact O-CB 3.18Å; L105-K109 PolarHBondContact O-N 3.12Å; E107-K109 VanDerWaalsContact C-N 3.26Å; E107-K109 PolarHBondContact O-N 3.33Å; K109-E111 VanDerWaalsContact C-N 3.34Å
110K79.5Confident74.5Confident180 Ų18099 Ų9978%0.78347%0.474SS*.Hα-helixtrans-71.8-31.7175.3-174.2-173.4175.5-165.70111.5K106 E107K106-K110 WeakPolarHBondContact O-CB 3.25Å; K106-K110 PolarHBondContact O-N 2.92Å; E107-K110 WeakPolarHBondContact O-CA 3.36Å; E107-K110 WeakPolarHBondContact O-CB 3.35Å; E107-K110 PolarHBondContact O-N 3.26Å
111E77.6Confident74Confident127 Ų12798.9 Ų98.959%0.59348%0.476SS*.Hα-helixtrans-94.2-2.7-177.5-63.9177.8175.200113.7E107 I108 K109 L113E107-E111 PolarHBondContact O-N 3.01Å; I108-E111 PolarHBondContact O-N 3.41Å; K109-E111 VanDerWaalsContact C-N 3.34Å; E111-L113 HydrophobicContact CB-CD1 3.49Å; E111-L113 VanDerWaalsContact CB-CD1 3.49Å; E111-L113 PolarHBondContact O-N 2.99Å
112N70.4Confident73.7Confident149 Ų149102.9 Ų102.980%0.79749%0.493SS*.THydrogen-bonded Turntrans57.329-174.5-63.3-53.1000114.4I108I108-N112 PolarHBondContact O-N 3.07Å
113L71.7Confident73.1Confident95 Ų9595.5 Ų95.550%0.49747%0.465SS..  trans-72.9152.6174.6-93.280.2000111.6I108 E111I108-L113 HydrophobicContact CG2-CB 3.93Å; I108-L113 WeakPolarHBondContact CG2-O 3.49Å; I108-L113 PolarHBondContact O-N 3.22Å; I108-L113 VanDerWaalsContact O-N 3.11Å; E111-L113 HydrophobicContact CB-CD1 3.49Å; E111-L113 VanDerWaalsContact CB-CD1 3.49Å; E111-L113 PolarHBondContact O-N 2.99Å
114P70.5Confident72.6Confident115 Ų11593.9 Ų93.975%0.74746%0.459SS*.  trans-62.3138.6175.726.5-34.3000111.3N116P114-N116 PolarHBondContact O-N 3.25Å; P114-N116 VanDerWaalsContact O-N 3.11Å
115M66.9Low72.2Confident77 Ų7794.1 Ų94.138%0.37946%0.459SS..  trans-62.7108179.9-174.274.4-176.300111.2L105 Y117 Y120L105-M115 HydrophobicContact CD1-CE 3.57Å; L105-M115 HydrophobicContact CD1-SD 3.31Å; L105-M115 WeakPolarHBondContact CD1-SD 3.44Å; L105-M115 HydrophobicContact CD2-CE 4.12Å; L105-M115 HydrophobicContact CG-CE 4.5Å; M115-Y117 HydrophobicContact CB-CE2 4.45Å; M115-Y117 HydrophobicContact CG-CD2 4.45Å; M115-Y117 HydrophobicContact CG-CE1 4.27Å; M115-Y117 HydrophobicContact CG-CE2 4.08Å; M115-Y117 PolarHBondContact O-N 2.89Å; M115-Y120 HydrophobicContact CE-CD2 4.38Å; M115-Y120 HydrophobicContact CE-CE2 3.77Å
116N66.8Low71.8Confident75 Ų7592.5 Ų92.540%0.40145%0.451SS..  trans-88.4106.8171.5-168.3-12.4000111.1P114 D118 I119P114-N116 PolarHBondContact O-N 3.25Å; P114-N116 VanDerWaalsContact O-N 3.11Å; N116-D118 PolarHBondContact O-N 3.42Å; N116-D118 WeakPolarHBondContact OD1-CB 3.5Å; N116-D118 PolarHBondContact OD1-N 3.44Å; N116-D118 PolarHBondContact OD1-OD2 3.23Å; N116-I119 HydrophobicContact CB-CD1 4.14Å; N116-I119 HydrophobicContact CB-CG1 4.23Å; N116-I119 WeakPolarHBondContact O-CG1 3.26Å; N116-I119 PolarHBondContact O-N 3.33Å
117Y67.8Low71.2Confident171 Ų17187 Ų8767%0.67143%0.429SS*.THydrogen-bonded Turntrans-67.8-21.5177.3-68.4-82.6000113.4M115 I119 Y120 A121M115-Y117 HydrophobicContact CB-CE2 4.45Å; M115-Y117 HydrophobicContact CG-CD2 4.45Å; M115-Y117 HydrophobicContact CG-CE1 4.27Å; M115-Y117 HydrophobicContact CG-CE2 4.08Å; M115-Y117 PolarHBondContact O-N 2.89Å; Y117-I119 PolarHBondContact O-N 2.8Å; Y117-I119 VanDerWaalsContact O-N 3.13Å; Y117-Y120 PolarHBondContact O-N 3.46Å; Y117-A121 PolarHBondContact O-N 3.24Å
118D69.9Low70.8Confident111 Ų11183.9 Ų83.959%0.59442%0.415SS*.Hα-helixtrans-61.7-23.7178.2-57-22.3000112N116 Y120 A121 K122N116-D118 PolarHBondContact O-N 3.42Å; N116-D118 WeakPolarHBondContact OD1-CB 3.5Å; N116-D118 PolarHBondContact OD1-N 3.44Å; N116-D118 PolarHBondContact OD1-OD2 3.23Å; D118-Y120 VanDerWaalsContact C-N 3.3Å; D118-Y120 PolarHBondContact O-N 2.93Å; D118-A121 PolarHBondContact O-N 2.9Å; D118-K122 WeakPolarHBondContact O-CB 3.31Å; D118-K122 PolarHBondContact O-N 2.97Å
119I69.8Low70.6Confident35 Ų3583.1 Ų83.118%0.17941%0.412CS..Hα-helixtrans-62.3-39.6175.9-59.3175.9000110.6V101 I108 N116 Y117 A123V101-I119 HydrophobicContact CB-CG2 4.24Å; V101-I119 HydrophobicContact CG1-CG2 3.87Å; V101-I119 HydrophobicContact CG2-CG2 3.84Å; I108-I119 HydrophobicContact CD1-CD1 3.54Å; N116-I119 HydrophobicContact CB-CD1 4.14Å; N116-I119 HydrophobicContact CB-CG1 4.23Å; N116-I119 WeakPolarHBondContact O-CG1 3.26Å; N116-I119 PolarHBondContact O-N 3.33Å; Y117-I119 PolarHBondContact O-N 2.8Å; Y117-I119 VanDerWaalsContact O-N 3.13Å; I119-A123 PolarHBondContact O-N 3.48Å
120Y68.1Low70.3Confident81 Ų8177.1 Ų77.132%0.31839%0.39SS..Hα-helixtrans-71.2-43.6173.6-80.4-81.5000111.7F98 V101 L105 M115 Y117 D118 K122 A123 V124F98-Y120 HydrophobicContact CD1-CE1 4.45Å; F98-Y120 HydrophobicContact CE1-CD1 4.18Å; F98-Y120 HydrophobicContact CE1-CE1 4.22Å; V101-Y120 HydrophobicContact CG1-CD1 3.89Å; V101-Y120 HydrophobicContact CG1-CD2 4.1Å; V101-Y120 HydrophobicContact CG1-CE1 3.66Å; V101-Y120 HydrophobicContact CG1-CE2 3.87Å; V101-Y120 HydrophobicContact CG1-CG 4.11Å; L105-Y120 HydrophobicContact CD2-CE2 4.42Å; L105-Y120 WeakPolarHBondContact CD2-OH 3.45Å; M115-Y120 HydrophobicContact CE-CD2 4.38Å; M115-Y120 HydrophobicContact CE-CE2 3.77Å; Y117-Y120 PolarHBondContact O-N 3.46Å; D118-Y120 VanDerWaalsContact C-N 3.3Å; D118-Y120 PolarHBondContact O-N 2.93Å; Y120-K122 VanDerWaalsContact C-N 3.34Å; Y120-K122 PolarHBondContact O-N 2.89Å; Y120-A123 PolarHBondContact O-N 3.44Å; Y120-V124 WeakPolarHBondContact O-CG2 3.35Å; Y120-V124 PolarHBondContact O-N 3.46Å
121A68.3Low69.9Low40 Ų4073 Ų7333%0.33137%0.371SS..Hα-helixtrans-57.6-48.2177.100000110.9Y117 D118 A123 V124 F125Y117-A121 PolarHBondContact O-N 3.24Å; D118-A121 PolarHBondContact O-N 2.9Å; A121-A123 PolarHBondContact O-N 3.48Å; A121-V124 PolarHBondContact O-N 3.43Å; A121-F125 HydrophobicContact CB-CD2 4.32Å; A121-F125 HydrophobicContact CB-CE2 4.26Å; A121-F125 WeakPolarHBondContact O-CD2 3.39Å; A121-F125 PolarHBondContact O-N 3.32Å
122K70.3Confident69.5Low90 Ų9070.2 Ų70.239%0.39136%0.355SS..Hα-helixtrans-54.9-46.8175.6-177.8-178.4178.3-175.30112.5D118 Y120 F125 T126 I142D118-K122 WeakPolarHBondContact O-CB 3.31Å; D118-K122 PolarHBondContact O-N 2.97Å; Y120-K122 VanDerWaalsContact C-N 3.34Å; Y120-K122 PolarHBondContact O-N 2.89Å; K122-F125 PolarHBondContact O-N 3.46Å; K122-T126 WeakPolarHBondContact O-CB 3.45Å; K122-T126 PolarHBondContact O-N 3.41Å; K122-T126 PolarHBondContact O-OG1 3.25Å; K122-I142 HydrophobicContact CD-CG2 4.21Å; K122-I142 HydrophobicContact CG-CG2 3.89Å
123A67.2Low69.5Low3 Ų367.6 Ų67.63%0.02534%0.338CS..Hα-helixtrans-63.9-42.4177.300000112.2E97 V101 I119 Y120 A121 T126 V127E97-A123 HydrophobicContact CB-CB 4.17Å; V101-A123 HydrophobicContact CG2-CB 3.57Å; I119-A123 PolarHBondContact O-N 3.48Å; Y120-A123 PolarHBondContact O-N 3.44Å; A121-A123 PolarHBondContact O-N 3.48Å; A123-T126 PolarHBondContact O-N 2.78Å; A123-V127 WeakPolarHBondContact O-CG2 3.26Å; A123-V127 PolarHBondContact O-N 2.97Å; A123-V127 VanDerWaalsContact O-N 3.11Å
124V69.9Low69.2Low64 Ų6463.5 Ų63.539%0.38832%0.317SS..Hα-helixtrans-63.1-48.2175.8171.40000111.1F98 Y120 A121 T126 V127 L128F98-V124 HydrophobicContact CZ-CG2 4.37Å; Y120-V124 WeakPolarHBondContact O-CG2 3.35Å; Y120-V124 PolarHBondContact O-N 3.46Å; A121-V124 PolarHBondContact O-N 3.43Å; V124-T126 VanDerWaalsContact C-N 3.33Å; V124-T126 PolarHBondContact O-N 3.37Å; V124-V127 PolarHBondContact O-N 3.12Å; V124-L128 HydrophobicContact CG1-CD1 3.66Å; V124-L128 HydrophobicContact CG1-CG 4.34Å; V124-L128 WeakPolarHBondContact O-CB 3.18Å; V124-L128 VanDerWaalsContact O-CG 3.27Å; V124-L128 WeakPolarHBondContact O-CG 3.4Å; V124-L128 PolarHBondContact O-N 3.32Å
125F69.7Low69Low79 Ų7960 Ų6035%0.34629%0.29SS..Hα-helixtrans-60.3-40175-76.9-64000112.2A121 K122 V127 L128 I129 I153 L157A121-F125 HydrophobicContact CB-CD2 4.32Å; A121-F125 HydrophobicContact CB-CE2 4.26Å; A121-F125 WeakPolarHBondContact O-CD2 3.39Å; A121-F125 PolarHBondContact O-N 3.32Å; K122-F125 PolarHBondContact O-N 3.46Å; F125-V127 VanDerWaalsContact C-N 3.34Å; F125-V127 PolarHBondContact O-N 3.13Å; F125-L128 PolarHBondContact O-N 3.5Å; F125-I129 HydrophobicContact CB-CD1 4.47Å; F125-I129 WeakPolarHBondContact O-CB 3.27Å; F125-I129 WeakPolarHBondContact O-CD1 3.15Å; F125-I129 WeakPolarHBondContact O-CG1 3.46Å; F125-I129 PolarHBondContact O-N 2.99Å; F125-I153 HydrophobicContact CD1-CG2 4.2Å; F125-L157 HydrophobicContact CD1-CD1 3.69Å; F125-L157 HydrophobicContact CE1-CD1 3.56Å
126T69.3Low68.4Low12 Ų1263.7 Ų63.77%0.07430%0.304CS..Hα-helixtrans-59.5-44.5176.7-55.10000111.6E97 K122 A123 V124 S130 I142E97-T126 HydrophobicContact CG-CG2 4.3Å; K122-T126 WeakPolarHBondContact O-CB 3.45Å; K122-T126 PolarHBondContact O-N 3.41Å; K122-T126 PolarHBondContact O-OG1 3.25Å; A123-T126 PolarHBondContact O-N 2.78Å; V124-T126 VanDerWaalsContact C-N 3.33Å; V124-T126 PolarHBondContact O-N 3.37Å; T126-S130 WeakPolarHBondContact O-CB 3.4Å; T126-S130 PolarHBondContact O-N 3.4Å; T126-S130 VanDerWaalsContact O-N 3.13Å; T126-S130 PolarHBondContact O-OG 2.72Å; T126-I142 HydrophobicContact CG2-CG1 4.29Å
127V69.6Low67.9Low17 Ų1762.9 Ų62.910%0.10331%0.313CS..Hα-helixtrans-66.6-42.3175.7177.20000111.2L93 L94 A123 V124 F125 S130 Y131L93-V127 HydrophobicContact CD2-CB 4.47Å; L93-V127 HydrophobicContact CD2-CG2 3.79Å; L94-V127 HydrophobicContact CB-CG1 4.19Å; L94-V127 HydrophobicContact CB-CG2 3.83Å; L94-V127 HydrophobicContact CD1-CG1 4.19Å; L94-V127 HydrophobicContact CG-CG2 4.15Å; A123-V127 WeakPolarHBondContact O-CG2 3.26Å; A123-V127 PolarHBondContact O-N 2.97Å; A123-V127 VanDerWaalsContact O-N 3.11Å; V124-V127 PolarHBondContact O-N 3.12Å; F125-V127 VanDerWaalsContact C-N 3.34Å; F125-V127 PolarHBondContact O-N 3.13Å; V127-S130 CarbonylContact O-C 3.57Å; V127-S130 WeakPolarHBondContact O-CB 3.45Å; V127-S130 PolarHBondContact O-N 2.87Å; V127-Y131 WeakPolarHBondContact O-CB 3.44Å; V127-Y131 PolarHBondContact O-N 2.72Å
128L71.9Confident66.8Low45 Ų4562.9 Ų62.924%0.23633%0.325CS..Hα-helixtrans-65.4-45.5-179.6-75.2169000112.7V124 F125 S130 Y131 Y132 L157V124-L128 HydrophobicContact CG1-CD1 3.66Å; V124-L128 HydrophobicContact CG1-CG 4.34Å; V124-L128 WeakPolarHBondContact O-CB 3.18Å; V124-L128 VanDerWaalsContact O-CG 3.27Å; V124-L128 WeakPolarHBondContact O-CG 3.4Å; V124-L128 PolarHBondContact O-N 3.32Å; F125-L128 PolarHBondContact O-N 3.5Å; L128-S130 PolarHBondContact O-N 2.93Å; L128-Y131 WeakPolarHBondContact O-CB 3.2Å; L128-Y131 PolarHBondContact O-N 2.94Å; L128-Y131 VanDerWaalsContact O-N 3.13Å; L128-Y132 HydrophobicContact CD2-CE2 4.15Å; L128-Y132 VanDerWaalsContact O-CD2 3.25Å; L128-Y132 WeakPolarHBondContact O-CD2 3.23Å; L128-Y132 PolarHBondContact O-N 3.21Å; L128-L157 HydrophobicContact CB-CD1 4.39Å; L128-L157 HydrophobicContact CB-CD2 3.97Å; L128-L157 HydrophobicContact CD1-CD1 3.9Å; L128-L157 HydrophobicContact CD1-CD2 3.85Å; L128-L157 HydrophobicContact CD2-CD2 3.84Å; L128-L157 HydrophobicContact CG-CD2 4.1Å
129I70.2Confident65.9Low15 Ų1563.4 Ų63.48%0.07732%0.324CS..Hα-helixtrans-57.3-41.7173.2-70.4163.2000110.4F125 Q133 L134 F135 I153F125-I129 HydrophobicContact CB-CD1 4.47Å; F125-I129 WeakPolarHBondContact O-CB 3.27Å; F125-I129 WeakPolarHBondContact O-CD1 3.15Å; F125-I129 WeakPolarHBondContact O-CG1 3.46Å; F125-I129 PolarHBondContact O-N 2.99Å; I129-Q133 WeakPolarHBondContact O-CA 3.38Å; I129-Q133 PolarHBondContact O-N 3.14Å; I129-L134 PolarHBondContact O-N 3.33Å; I129-L134 VanDerWaalsContact O-N 3.13Å; I129-F135 HydrophobicContact CD1-CE2 4.48Å; I129-F135 HydrophobicContact CG2-CD2 3.48Å; I129-F135 VanDerWaalsContact CG2-CD2 3.48Å; I129-F135 HydrophobicContact CG2-CE2 3.75Å; I129-I153 HydrophobicContact CD1-CD1 3.82Å; I129-I153 HydrophobicContact CD1-CG1 4.41Å; I129-I153 HydrophobicContact CD1-CG2 4.44Å; I129-I153 HydrophobicContact CG1-CD1 4.19Å; I129-I153 HydrophobicContact CG1-CG1 4.23Å; I129-I153 HydrophobicContact CG1-CG2 4.1Å
130S70.5Confident65Low38 Ų3868.4 Ų68.427%0.26635%0.351SS..Hα-helixtrans-68.8-36.2176-57.50000113T126 V127 L128 Q133T126-S130 WeakPolarHBondContact O-CB 3.4Å; T126-S130 PolarHBondContact O-N 3.4Å; T126-S130 VanDerWaalsContact O-N 3.13Å; T126-S130 PolarHBondContact O-OG 2.72Å; V127-S130 CarbonylContact O-C 3.57Å; V127-S130 WeakPolarHBondContact O-CB 3.45Å; V127-S130 PolarHBondContact O-N 2.87Å; L128-S130 PolarHBondContact O-N 2.93Å; S130-Q133 WeakPolarHBondContact O-CG 3.5Å; S130-Q133 PolarHBondContact O-N 3.44Å
131Y71Confident64.5Low95 Ų9568.1 Ų68.137%0.37335%0.349SS..Hα-helixtrans-65.7-52.9178.1179.3-86.3000111.2Y87 L90 V127 L128 Q133Y87-Y131 HydrophobicContact CE1-CE2 4.1Å; L90-Y131 HydrophobicContact CD1-CD2 3.69Å; L90-Y131 HydrophobicContact CD1-CE2 4.29Å; L90-Y131 HydrophobicContact CD1-CG 4.5Å; V127-Y131 WeakPolarHBondContact O-CB 3.44Å; V127-Y131 PolarHBondContact O-N 2.72Å; L128-Y131 WeakPolarHBondContact O-CB 3.2Å; L128-Y131 PolarHBondContact O-N 2.94Å; L128-Y131 VanDerWaalsContact O-N 3.13Å; Y131-Q133 PolarHBondContact O-N 3.17Å
132Y70.2Confident63.8Low67 Ų6768.8 Ų68.826%0.26335%0.347SS..Hα-helixtrans-76.1-8.8177.2-66.6-70.2000112.8L128 L134 V156 L157 A160 K307L128-Y132 HydrophobicContact CD2-CE2 4.15Å; L128-Y132 VanDerWaalsContact O-CD2 3.25Å; L128-Y132 WeakPolarHBondContact O-CD2 3.23Å; L128-Y132 PolarHBondContact O-N 3.21Å; Y132-L134 VanDerWaalsContact C-N 3.32Å; Y132-L134 PolarHBondContact O-N 3.21Å; Y132-V156 HydrophobicContact CD1-CG1 4.12Å; Y132-V156 HydrophobicContact CD2-CG1 3.98Å; Y132-V156 HydrophobicContact CG-CG1 3.79Å; Y132-L157 HydrophobicContact CD2-CD2 3.94Å; Y132-L157 HydrophobicContact CE2-CD2 3.52Å; Y132-A160 HydrophobicContact CE1-CB 3.8Å; Y132-A160 HydrophobicContact CE2-CB 4.48Å; Y132-A160 WeakPolarHBondContact OH-CB 3.23Å; Y132-K307 WeakPolarHBondContact O-CE 3.5Å; Y132-K307 PolarHBondContact O-NZ 2.96Å
133Q70.2Confident63.2Low95 Ų9566.5 Ų66.544%0.44434%0.338SS..THydrogen-bonded Turntrans51.249.6-176.5-53.11672000111.1H86 I129 S130 Y131 K307H86-Q133 PolarHBondContact CE1-NE2 2.96Å; H86-Q133 PolarHBondContact NE2-NE2 2.91Å; I129-Q133 WeakPolarHBondContact O-CA 3.38Å; I129-Q133 PolarHBondContact O-N 3.14Å; S130-Q133 WeakPolarHBondContact O-CG 3.5Å; S130-Q133 PolarHBondContact O-N 3.44Å; Y131-Q133 PolarHBondContact O-N 3.17Å; Q133-K307 PolarHBondContact O-NZ 3.34Å
134L65Low63.1Low9 Ų967.1 Ų67.15%0.04734%0.342CS..  trans-68.1-37.7-170.6-67.3176.3000112.7I129 Y132 I153 V156 L304I129-L134 PolarHBondContact O-N 3.33Å; I129-L134 VanDerWaalsContact O-N 3.13Å; Y132-L134 VanDerWaalsContact C-N 3.32Å; Y132-L134 PolarHBondContact O-N 3.21Å; L134-I153 HydrophobicContact CD1-CB 4.49Å; L134-I153 HydrophobicContact CD1-CG1 4.08Å; L134-V156 HydrophobicContact CD1-CB 4.12Å; L134-V156 HydrophobicContact CD1-CG1 4.14Å; L134-V156 HydrophobicContact CD1-CG2 3.81Å; L134-V156 HydrophobicContact CD2-CB 4.27Å; L134-V156 HydrophobicContact CD2-CG1 3.94Å; L134-V156 HydrophobicContact CD2-CG2 3.46Å; L134-V156 VanDerWaalsContact CD2-CG2 3.46Å; L134-V156 HydrophobicContact CG-CG2 4.28Å; L134-L304 HydrophobicContact CB-CD2 4.42Å; L134-L304 HydrophobicContact CD2-CD2 4.03Å; L134-L304 WeakPolarHBondContact O-CD2 3.26Å
135F65.5Low62.7Low41 Ų4168.1 Ų68.118%0.1834%0.342CS..SBendtrans-100.1130.1175.2-56.3-71.8000110.5I129 G137 E149 I153I129-F135 HydrophobicContact CD1-CE2 4.48Å; I129-F135 HydrophobicContact CG2-CD2 3.48Å; I129-F135 VanDerWaalsContact CG2-CD2 3.48Å; I129-F135 HydrophobicContact CG2-CE2 3.75Å; F135-G137 PolarHBondContact O-N 2.84Å; F135-E149 HydrophobicContact CE1-CG 4.34Å; F135-E149 WeakPolarHBondContact CE1-OE1 3.23Å; F135-E149 HydrophobicContact CZ-CB 4.42Å; F135-I153 HydrophobicContact CE2-CD1 3.98Å; F135-I153 HydrophobicContact CE2-CG1 4.29Å; F135-I153 HydrophobicContact CZ-CD1 3.96Å; F135-I153 HydrophobicContact CZ-CG1 4.23Å
136K56Low62.3Low154 Ų15467.8 Ų67.867%0.6734%0.344SS*.  trans-92.374.1178.9-167.6-173.1-174.1-179.10109.6Y303K136-Y303 HydrophobicContact CB-CD1 4.02Å; K136-Y303 HydrophobicContact CB-CE1 3.74Å; K136-Y303 HydrophobicContact CD-CD2 3.96Å; K136-Y303 HydrophobicContact CD-CE1 4.4Å; K136-Y303 HydrophobicContact CD-CE2 3.81Å; K136-Y303 HydrophobicContact CD-CG 4.3Å; K136-Y303 HydrophobicContact CG-CE1 4.42Å; K136-Y303 HydrophobicContact CG-CE2 4.5Å
137G54.6Low62.2Low58 Ų5872 Ų7260%0.59837%0.366SS*.SBendtrans-162.2154.9-178.300000112.5F135 E139F135-G137 PolarHBondContact O-N 2.84Å; G137-E139 PolarHBondContact O-N 3.41Å
138N44.6Very low62.2Low172 Ų17277 Ų7792%0.9239%0.391SS*.SBendtrans-88.124.2179.7-158.931.6000112.1
139E52.3Low61.9Low122 Ų12275.8 Ų75.857%0.5738%0.384SS*.SBendtrans-112.9140.4-167.9-61.7-168.7167.800110.9G137 R141G137-E139 PolarHBondContact O-N 3.41Å; E139-R141 HydrophobicContact CB-CG 4.48Å; E139-R141 PolarHBondContact O-N 3.46Å; E139-R141 IonicContact OE2-NE 2.7Å
140N51.1Low61.8Low140 Ų14080.4 Ų80.475%0.74940%0.401SS*.  trans-75.854.6-178.4-57.1-67.6000111.6I142N140-I142 HydrophobicContact CB-CD1 4.02Å; N140-I142 HydrophobicContact CB-CG1 4.37Å; N140-I142 WeakPolarHBondContact O-CG1 3.37Å; N140-I142 PolarHBondContact O-N 3.47Å
141R56Low61.5Low75 Ų7582.4 Ų82.428%0.28341%0.406SS..  trans-71.982.3171.6-72-174.7175.3-119-9.8109E139 I143 E145E139-R141 HydrophobicContact CB-CG 4.48Å; E139-R141 PolarHBondContact O-N 3.46Å; E139-R141 IonicContact OE2-NE 2.7Å; R141-I143 VanDerWaalsContact C-N 3.29Å; R141-E145 IonicContact CZ-OE1 2.8Å; R141-E145 IonicContact CZ-OE2 3.2Å; R141-E145 IonicContact NH1-OE1 3.75Å; R141-E145 PolarHBondContact NH1-OE1 2.78Å; R141-E145 IonicContact NH1-OE2 3.83Å; R141-E145 PolarHBondContact NH1-OE2 2.89Å; R141-E145 IonicContact NH2-OE1 3Å; R141-E145 IonicContact NH2-OE2 2.85Å
142I55.2Low61.4Low54 Ų5480.1 Ų80.128%0.27740%0.4SS..  trans-82.8-9.5-177-67.9154.6000111.9K122 T126 N140K122-I142 HydrophobicContact CD-CG2 4.21Å; K122-I142 HydrophobicContact CG-CG2 3.89Å; T126-I142 HydrophobicContact CG2-CG1 4.29Å; N140-I142 HydrophobicContact CB-CD1 4.02Å; N140-I142 HydrophobicContact CB-CG1 4.37Å; N140-I142 WeakPolarHBondContact O-CG1 3.37Å; N140-I142 PolarHBondContact O-N 3.47Å
143I58Low61.4Low41 Ų4177.2 Ų77.221%0.2139%0.389CS..SBendtrans-139116.6-161.8-72.6-174.6000105.5R141 E145 W254R141-I143 VanDerWaalsContact C-N 3.29Å; I143-E145 PolarHBondContact O-N 3.48Å; I143-W254 HydrophobicContact CB-CH2 4.1Å; I143-W254 HydrophobicContact CB-CZ2 3.94Å; I143-W254 HydrophobicContact CD1-CH2 4.19Å; I143-W254 HydrophobicContact CD1-CZ3 4.49Å; I143-W254 HydrophobicContact CG1-CH2 3.68Å; I143-W254 HydrophobicContact CG1-CZ2 4.03Å; I143-W254 HydrophobicContact CG1-CZ3 4.4Å; I143-W254 HydrophobicContact CG2-CH2 3.95Å; I143-W254 HydrophobicContact CG2-CZ2 3.37Å
144P63.5Low61.4Low17 Ų1777.4 Ų77.411%0.1139%0.385CS..  trans-58.3127.6166.521.2-30.5000109.3E149 Y150 I153 W254P144-E149 WeakPolarHBondContact CA-OE2 3.47Å; P144-E149 HydrophobicContact CB-CB 3.63Å; P144-Y150 HydrophobicContact CG-CD2 4.39Å; P144-I153 HydrophobicContact CB-CD1 3.89Å; P144-I153 HydrophobicContact CG-CD1 4.06Å; P144-W254 HydrophobicContact CG-CZ2 4.44Å
145E62.3Low61.6Low85 Ų8581.8 Ų81.840%0.39740%0.404SS..SBendtrans-75.7-39.8-177.9-71.1175.2178.300110.1R141 I143 E149R141-E145 IonicContact CZ-OE1 2.8Å; R141-E145 IonicContact CZ-OE2 3.2Å; R141-E145 IonicContact NH1-OE1 3.75Å; R141-E145 PolarHBondContact NH1-OE1 2.78Å; R141-E145 IonicContact NH1-OE2 3.83Å; R141-E145 PolarHBondContact NH1-OE2 2.89Å; R141-E145 IonicContact NH2-OE1 3Å; R141-E145 IonicContact NH2-OE2 2.85Å; I143-E145 PolarHBondContact O-N 3.48Å; E145-E149 PolarHBondContact N-OE2 3.43Å
146D62.2Low61.7Low71 Ų7180.3 Ų80.338%0.3840%0.398SS..SBendtrans-115.4158.5-177.5-70-45.8000113.9I148 E149 Y150 Y297D146-I148 PolarHBondContact O-N 3.45Å; D146-E149 PolarHBondContact O-N 3.08Å; D146-E149 VanDerWaalsContact O-N 3.11Å; D146-Y150 PolarHBondContact O-N 3.33Å; D146-Y150 VanDerWaalsContact O-N 3.08Å; D146-Y297 WeakPolarHBondContact OD2-CE1 3.2Å
147L67.2Low62.4Low102 Ų10273.7 Ų73.753%0.53437%0.371SS..Hα-helixtrans-55.6-33.6170.4-17765.8000112Y150 E151L147-Y150 PolarHBondContact O-N 2.92Å; L147-E151 PolarHBondContact O-N 3.07Å
148I68Low63Low122 Ų12272.6 Ų72.663%0.62635%0.35SS*.Hα-helixtrans-65.2-45.9177.1-61.2173.2000110.5D146 Y150 E151 I152D146-I148 PolarHBondContact O-N 3.45Å; I148-Y150 VanDerWaalsContact C-N 3.33Å; I148-Y150 PolarHBondContact O-N 2.84Å; I148-E151 PolarHBondContact O-N 3.16Å; I148-I152 HydrophobicContact CG2-CD1 3.82Å; I148-I152 HydrophobicContact CG2-CG1 4.49Å; I148-I152 WeakPolarHBondContact O-CD1 3.33Å; I148-I152 VanDerWaalsContact O-CG1 3.23Å; I148-I152 WeakPolarHBondContact O-CG1 3.25Å; I148-I152 PolarHBondContact O-N 2.59Å
149E66.2Low63.9Low19 Ų1966.4 Ų66.49%0.08932%0.323CS..Hα-helixtrans-64-40176.6-66.8-165.9142.600111.5F135 P144 E145 D146 I152 I153F135-E149 HydrophobicContact CE1-CG 4.34Å; F135-E149 WeakPolarHBondContact CE1-OE1 3.23Å; F135-E149 HydrophobicContact CZ-CB 4.42Å; P144-E149 WeakPolarHBondContact CA-OE2 3.47Å; P144-E149 HydrophobicContact CB-CB 3.63Å; E145-E149 PolarHBondContact N-OE2 3.43Å; D146-E149 PolarHBondContact O-N 3.08Å; D146-E149 VanDerWaalsContact O-N 3.11Å; E149-I152 PolarHBondContact O-N 3.14Å; E149-I153 WeakPolarHBondContact O-CD1 3.39Å; E149-I153 VanDerWaalsContact O-CG1 3.23Å; E149-I153 WeakPolarHBondContact O-CG1 3.41Å; E149-I153 PolarHBondContact O-N 3.24Å
150Y68Low64.5Low112 Ų11262.6 Ų62.644%0.43931%0.312SS..Hα-helixtrans-60.3-51174.8174.6-93.5000111.9P144 D146 L147 I148 I152 I153 R154P144-Y150 HydrophobicContact CG-CD2 4.39Å; D146-Y150 PolarHBondContact O-N 3.33Å; D146-Y150 VanDerWaalsContact O-N 3.08Å; L147-Y150 PolarHBondContact O-N 2.92Å; I148-Y150 VanDerWaalsContact C-N 3.33Å; I148-Y150 PolarHBondContact O-N 2.84Å; Y150-I152 VanDerWaalsContact C-N 3.31Å; Y150-I152 PolarHBondContact O-N 3.49Å; Y150-I153 PolarHBondContact O-N 3.13Å; Y150-R154 VanDerWaalsContact O-CB 3.23Å; Y150-R154 WeakPolarHBondContact O-CB 3.47Å; Y150-R154 PolarHBondContact O-N 3.25Å
151E65.1Low65.1Low79 Ų7964.4 Ų64.437%0.36931%0.309SS..Hα-helixtrans-65.5-32.3178.9-78.1-62.8139.800112.1L147 I148 R154 F155L147-E151 PolarHBondContact O-N 3.07Å; I148-E151 PolarHBondContact O-N 3.16Å; E151-R154 IonicContact OE1-CZ 3.51Å; E151-R154 IonicContact OE1-NH1 3.86Å; E151-R154 PolarHBondContact OE1-NH1 3.5Å; E151-R154 IonicContact OE2-CZ 2.72Å; E151-R154 IonicContact OE2-NH1 3.47Å; E151-R154 PolarHBondContact OE2-NH1 3.45Å; E151-F155 WeakPolarHBondContact O-CB 3.2Å; E151-F155 PolarHBondContact O-N 3.46Å
152I68.9Low65.1Low47 Ų4770.5 Ų70.524%0.24134%0.337CS..Hα-helixtrans-66-50.9171.3-66.5162.2000111I148 E149 Y150 R154 F155 V156 L304 F308I148-I152 HydrophobicContact CG2-CD1 3.82Å; I148-I152 HydrophobicContact CG2-CG1 4.49Å; I148-I152 WeakPolarHBondContact O-CD1 3.33Å; I148-I152 VanDerWaalsContact O-CG1 3.23Å; I148-I152 WeakPolarHBondContact O-CG1 3.25Å; I148-I152 PolarHBondContact O-N 2.59Å; E149-I152 PolarHBondContact O-N 3.14Å; Y150-I152 VanDerWaalsContact C-N 3.31Å; Y150-I152 PolarHBondContact O-N 3.49Å; I152-R154 VanDerWaalsContact C-N 3.25Å; I152-R154 PolarHBondContact O-N 2.7Å; I152-F155 PolarHBondContact O-N 2.96Å; I152-F155 VanDerWaalsContact O-N 3.15Å; I152-V156 HydrophobicContact CG2-CG2 4.34Å; I152-V156 VanDerWaalsContact O-CG2 3.25Å; I152-V156 WeakPolarHBondContact O-CG2 3.32Å; I152-V156 PolarHBondContact O-N 3.48Å; I152-L304 HydrophobicContact CD1-CD1 4.29Å; I152-L304 HydrophobicContact CG2-CD1 4.16Å; I152-L304 HydrophobicContact CG2-CD2 4.33Å; I152-F308 HydrophobicContact CG2-CE2 4.38Å
153I70.5Confident65Low6 Ų673.9 Ų73.93%0.03136%0.356CS..Hα-helixtrans-57.8-43.7178.5-67158.4000110.1F125 I129 L134 F135 P144 E149 Y150 V156 L157F125-I153 HydrophobicContact CD1-CG2 4.2Å; I129-I153 HydrophobicContact CD1-CD1 3.82Å; I129-I153 HydrophobicContact CD1-CG1 4.41Å; I129-I153 HydrophobicContact CD1-CG2 4.44Å; I129-I153 HydrophobicContact CG1-CD1 4.19Å; I129-I153 HydrophobicContact CG1-CG1 4.23Å; I129-I153 HydrophobicContact CG1-CG2 4.1Å; L134-I153 HydrophobicContact CD1-CB 4.49Å; L134-I153 HydrophobicContact CD1-CG1 4.08Å; F135-I153 HydrophobicContact CE2-CD1 3.98Å; F135-I153 HydrophobicContact CE2-CG1 4.29Å; F135-I153 HydrophobicContact CZ-CD1 3.96Å; F135-I153 HydrophobicContact CZ-CG1 4.23Å; P144-I153 HydrophobicContact CB-CD1 3.89Å; P144-I153 HydrophobicContact CG-CD1 4.06Å; E149-I153 WeakPolarHBondContact O-CD1 3.39Å; E149-I153 VanDerWaalsContact O-CG1 3.23Å; E149-I153 WeakPolarHBondContact O-CG1 3.41Å; E149-I153 PolarHBondContact O-N 3.24Å; Y150-I153 PolarHBondContact O-N 3.13Å; I153-V156 PolarHBondContact O-N 2.91Å; I153-L157 HydrophobicContact CG2-CD1 3.85Å; I153-L157 WeakPolarHBondContact O-CB 3.23Å; I153-L157 VanDerWaalsContact O-CG 3.23Å; I153-L157 WeakPolarHBondContact O-CG 3.4Å; I153-L157 PolarHBondContact O-N 3.07Å; I153-L157 VanDerWaalsContact O-N 3.1Å
154R70.2Confident64.9Low99 Ų9972.9 Ų72.937%0.37435%0.351SS..Hα-helixtrans-59.5-49.6175179.8-176.1165.5-151.3-11.9111.2Y150 E151 I152 V156 L157 E158Y150-R154 VanDerWaalsContact O-CB 3.23Å; Y150-R154 WeakPolarHBondContact O-CB 3.47Å; Y150-R154 PolarHBondContact O-N 3.25Å; E151-R154 IonicContact OE1-CZ 3.51Å; E151-R154 IonicContact OE1-NH1 3.86Å; E151-R154 PolarHBondContact OE1-NH1 3.5Å; E151-R154 IonicContact OE2-CZ 2.72Å; E151-R154 IonicContact OE2-NH1 3.47Å; E151-R154 PolarHBondContact OE2-NH1 3.45Å; I152-R154 VanDerWaalsContact C-N 3.25Å; I152-R154 PolarHBondContact O-N 2.7Å; R154-V156 PolarHBondContact O-N 3.43Å; R154-L157 PolarHBondContact O-N 2.9Å; R154-L157 VanDerWaalsContact O-N 3.16Å; R154-E158 HydrophobicContact CG-CG 4.43Å; R154-E158 IonicContact CZ-OE1 3.84Å; R154-E158 IonicContact NE-OE1 3.35Å; R154-E158 PolarHBondContact NE-OE1 3.42Å; R154-E158 IonicContact NH2-OE1 3.19Å; R154-E158 PolarHBondContact NH2-OE1 3.16Å; R154-E158 WeakPolarHBondContact O-CG 3.12Å; R154-E158 PolarHBondContact O-N 3.26Å
155F67.9Low64.5Low102 Ų10277.2 Ų77.245%0.44737%0.373SS..Hα-helixtrans-62.7-40.2179.7-176.6-95.9000112.8E151 I152 L157 E158 A159 F308E151-F155 WeakPolarHBondContact O-CB 3.2Å; E151-F155 PolarHBondContact O-N 3.46Å; I152-F155 PolarHBondContact O-N 2.96Å; I152-F155 VanDerWaalsContact O-N 3.15Å; F155-L157 VanDerWaalsContact C-N 3.31Å; F155-L157 PolarHBondContact O-N 3.18Å; F155-E158 PolarHBondContact O-N 3.11Å; F155-A159 VanDerWaalsContact O-CB 3.26Å; F155-A159 WeakPolarHBondContact O-CB 3.33Å; F155-A159 PolarHBondContact O-N 3.47Å; F155-F308 HydrophobicContact CD1-CE1 4.26Å; F155-F308 HydrophobicContact CD1-CZ 4.02Å; F155-F308 HydrophobicContact CE1-CE1 4.35Å; F155-F308 HydrophobicContact CE1-CZ 4.46Å
156V68.9Low63.9Low9 Ų973.8 Ų73.86%0.05536%0.358CS..Hα-helixtrans-56.4-48.4172.1175.40000110.4Y132 L134 I152 I153 R154 A159 A160 F308Y132-V156 HydrophobicContact CD1-CG1 4.12Å; Y132-V156 HydrophobicContact CD2-CG1 3.98Å; Y132-V156 HydrophobicContact CG-CG1 3.79Å; L134-V156 HydrophobicContact CD1-CB 4.12Å; L134-V156 HydrophobicContact CD1-CG1 4.14Å; L134-V156 HydrophobicContact CD1-CG2 3.81Å; L134-V156 HydrophobicContact CD2-CB 4.27Å; L134-V156 HydrophobicContact CD2-CG1 3.94Å; L134-V156 HydrophobicContact CD2-CG2 3.46Å; L134-V156 VanDerWaalsContact CD2-CG2 3.46Å; L134-V156 HydrophobicContact CG-CG2 4.28Å; I152-V156 HydrophobicContact CG2-CG2 4.34Å; I152-V156 VanDerWaalsContact O-CG2 3.25Å; I152-V156 WeakPolarHBondContact O-CG2 3.32Å; I152-V156 PolarHBondContact O-N 3.48Å; I153-V156 PolarHBondContact O-N 2.91Å; R154-V156 PolarHBondContact O-N 3.43Å; V156-A159 PolarHBondContact O-N 3.22Å; V156-A160 VanDerWaalsContact O-CB 3.31Å; V156-A160 WeakPolarHBondContact O-CB 3.4Å; V156-A160 PolarHBondContact O-N 3.45Å; V156-F308 HydrophobicContact CB-CZ 4.45Å; V156-F308 HydrophobicContact CG2-CE1 3.97Å; V156-F308 HydrophobicContact CG2-CE2 4.31Å; V156-F308 HydrophobicContact CG2-CZ 3.39Å
157L69.7Low63.4Low16 Ų1672.2 Ų72.28%0.08435%0.352CS..Hα-helixtrans-74-33-174.6-68.8173.7000112.6F125 L128 Y132 I153 R154 F155 W161F125-L157 HydrophobicContact CD1-CD1 3.69Å; F125-L157 HydrophobicContact CE1-CD1 3.56Å; L128-L157 HydrophobicContact CB-CD1 4.39Å; L128-L157 HydrophobicContact CB-CD2 3.97Å; L128-L157 HydrophobicContact CD1-CD1 3.9Å; L128-L157 HydrophobicContact CD1-CD2 3.85Å; L128-L157 HydrophobicContact CD2-CD2 3.84Å; L128-L157 HydrophobicContact CG-CD2 4.1Å; Y132-L157 HydrophobicContact CD2-CD2 3.94Å; Y132-L157 HydrophobicContact CE2-CD2 3.52Å; I153-L157 HydrophobicContact CG2-CD1 3.85Å; I153-L157 WeakPolarHBondContact O-CB 3.23Å; I153-L157 VanDerWaalsContact O-CG 3.23Å; I153-L157 WeakPolarHBondContact O-CG 3.4Å; I153-L157 PolarHBondContact O-N 3.07Å; I153-L157 VanDerWaalsContact O-N 3.1Å; R154-L157 PolarHBondContact O-N 2.9Å; R154-L157 VanDerWaalsContact O-N 3.16Å; F155-L157 VanDerWaalsContact C-N 3.31Å; F155-L157 PolarHBondContact O-N 3.18Å; L157-W161 PolarHBondContact O-N 2.91Å
158E67Low62.8Low34 Ų3474.7 Ų74.716%0.15935%0.354CS..Hα-helixtrans-62.9-56.4167.4-71.7-166.8-146.900109.4R154 F155 A160 W161 T164 S166R154-E158 HydrophobicContact CG-CG 4.43Å; R154-E158 IonicContact CZ-OE1 3.84Å; R154-E158 IonicContact NE-OE1 3.35Å; R154-E158 PolarHBondContact NE-OE1 3.42Å; R154-E158 IonicContact NH2-OE1 3.19Å; R154-E158 PolarHBondContact NH2-OE1 3.16Å; R154-E158 WeakPolarHBondContact O-CG 3.12Å; R154-E158 PolarHBondContact O-N 3.26Å; F155-E158 PolarHBondContact O-N 3.11Å; E158-A160 VanDerWaalsContact C-N 3.33Å; E158-A160 PolarHBondContact O-N 2.91Å; E158-W161 PolarHBondContact O-N 3.4Å; E158-W161 VanDerWaalsContact O-N 3.13Å; E158-T164 VanDerWaalsContact C-OG1 3.3Å; E158-T164 HydrophobicContact CB-CG2 4.35Å; E158-T164 VanDerWaalsContact O-CB 3.27Å; E158-T164 WeakPolarHBondContact O-CB 3.49Å; E158-T164 WeakPolarHBondContact O-CG2 3.39Å; E158-T164 PolarHBondContact O-OG1 3.19Å; E158-S166 WeakPolarHBondContact CB-OG 3.33Å; E158-S166 PolarHBondContact OE2-OG 2.92Å
159A62.9Low62.3Low43 Ų4374.3 Ų74.336%0.35535%0.35SS..Hα-helixtrans-58-37.5-178.200000114.4F155 V156 W161 C167F155-A159 VanDerWaalsContact O-CB 3.26Å; F155-A159 WeakPolarHBondContact O-CB 3.33Å; F155-A159 PolarHBondContact O-N 3.47Å; V156-A159 PolarHBondContact O-N 3.22Å; A159-W161 VanDerWaalsContact C-N 3.32Å; A159-W161 PolarHBondContact O-N 3.42Å; A159-C167 PolarHBondContact O-SG 2.89Å
160A64.8Low61.9Low42 Ų4278.3 Ų78.335%0.34737%0.371SS..Hα-helixtrans-75.3-18.3-179.300000114Y132 V156 E158Y132-A160 HydrophobicContact CE1-CB 3.8Å; Y132-A160 HydrophobicContact CE2-CB 4.48Å; Y132-A160 WeakPolarHBondContact OH-CB 3.23Å; V156-A160 VanDerWaalsContact O-CB 3.31Å; V156-A160 WeakPolarHBondContact O-CB 3.4Å; V156-A160 PolarHBondContact O-N 3.45Å; E158-A160 VanDerWaalsContact C-N 3.33Å; E158-A160 PolarHBondContact O-N 2.91Å
161W65.2Low61.2Low178 Ų17879.9 Ų79.967%0.67438%0.377SS*.SBendtrans-87.8109.7171.1-86.1-30.9000110L157 E158 A159 N163 T164L157-W161 PolarHBondContact O-N 2.91Å; E158-W161 PolarHBondContact O-N 3.4Å; E158-W161 VanDerWaalsContact O-N 3.13Å; A159-W161 VanDerWaalsContact C-N 3.32Å; A159-W161 PolarHBondContact O-N 3.42Å; W161-N163 PolarHBondContact O-N 3.13Å; W161-T164 HydrophobicContact CB-CG2 3.41Å; W161-T164 VanDerWaalsContact CB-CG2 3.41Å; W161-T164 HydrophobicContact CE3-CG2 4.08Å; W161-T164 HydrophobicContact CG-CG2 4.4Å; W161-T164 WeakPolarHBondContact O-CG2 3.17Å; W161-T164 PolarHBondContact O-N 3.41Å; W161-T164 VanDerWaalsContact O-N 3.14Å; W161-T164 PolarHBondContact O-OG1 3.42Å; W161-T164 VanDerWaalsContact O-OG1 3.08Å
162K56.4Low60.7Low202 Ų20280.9 Ų80.988%0.87839%0.385SS*.THydrogen-bonded Turntrans-49-5.6-178.8-64-169.2173.1-166.20118
163N52.7Low60Low126 Ų12684.2 Ų84.267%0.67440%0.402SS*.THydrogen-bonded Turntrans-124.18.4-173.2-92.8-40.5000114.4W161 R168W161-N163 PolarHBondContact O-N 3.13Å; N163-R168 PolarHBondContact O-NE 3.42Å
164T55.2Low59Low19 Ų1990.6 Ų90.612%0.11743%0.432CS..SBendtrans-81167-169.953.60000114.6E158 W161 S166 C167 R168E158-T164 VanDerWaalsContact C-OG1 3.3Å; E158-T164 HydrophobicContact CB-CG2 4.35Å; E158-T164 VanDerWaalsContact O-CB 3.27Å; E158-T164 WeakPolarHBondContact O-CB 3.49Å; E158-T164 WeakPolarHBondContact O-CG2 3.39Å; E158-T164 PolarHBondContact O-OG1 3.19Å; W161-T164 HydrophobicContact CB-CG2 3.41Å; W161-T164 VanDerWaalsContact CB-CG2 3.41Å; W161-T164 HydrophobicContact CE3-CG2 4.08Å; W161-T164 HydrophobicContact CG-CG2 4.4Å; W161-T164 WeakPolarHBondContact O-CG2 3.17Å; W161-T164 PolarHBondContact O-N 3.41Å; W161-T164 VanDerWaalsContact O-N 3.14Å; W161-T164 PolarHBondContact O-OG1 3.42Å; W161-T164 VanDerWaalsContact O-OG1 3.08Å; T164-S166 VanDerWaalsContact C-N 3.31Å; T164-S166 PolarHBondContact O-N 2.84Å; T164-C167 PolarHBondContact O-N 3.34Å; T164-R168 WeakPolarHBondContact O-CG 3.43Å; T164-R168 PolarHBondContact O-N 3.15Å
165I54.7Low57.7Low109 Ų10992.8 Ų92.856%0.55945%0.445SS*.Hα-helixtrans-59.1-43.8177.7-62.9168.1000109.9C167 R168 Q169I165-C167 PolarHBondContact O-N 3.4Å; I165-R168 PolarHBondContact O-N 2.81Å; I165-Q169 HydrophobicContact CG2-CG 4.2Å; I165-Q169 WeakPolarHBondContact O-CB 3.36Å; I165-Q169 VanDerWaalsContact O-CG 3.28Å; I165-Q169 WeakPolarHBondContact O-CG 3.28Å; I165-Q169 PolarHBondContact O-N 3.34Å
166S49.7Very low56.6Low12 Ų1294.5 Ų94.58%0.08446%0.458CS..Hα-helixtrans-57.9-48175.9-520000113.1E158 T164 R168 Q169 L170E158-S166 WeakPolarHBondContact CB-OG 3.33Å; E158-S166 PolarHBondContact OE2-OG 2.92Å; T164-S166 VanDerWaalsContact C-N 3.31Å; T164-S166 PolarHBondContact O-N 2.84Å; S166-R168 PolarHBondContact O-N 3.28Å; S166-Q169 PolarHBondContact O-N 3.42Å; S166-L170 PolarHBondContact O-N 2.95Å
167C51.3Low55.3Low38 Ų38104.5 Ų104.526%0.25750%0.495SS..Hα-helixtrans-64.1-40.3176.8-65.90000112.1A159 T164 I165 L170 Y171A159-C167 PolarHBondContact O-SG 2.89Å; T164-C167 PolarHBondContact O-N 3.34Å; I165-C167 PolarHBondContact O-N 3.4Å; C167-L170 PolarHBondContact O-N 3.35Å; C167-Y171 WeakPolarHBondContact O-CB 3.37Å; C167-Y171 PolarHBondContact O-N 3.2Å
168R55.7Low53.9Low154 Ų154107.9 Ų107.958%0.58152%0.52SS*.Hα-helixtrans-66.6-36.6176.1-71.2177.4-178.6-160.7-2.3112.7N163 T164 I165 S166 Y171 N172N163-R168 PolarHBondContact O-NE 3.42Å; T164-R168 WeakPolarHBondContact O-CG 3.43Å; T164-R168 PolarHBondContact O-N 3.15Å; I165-R168 PolarHBondContact O-N 2.81Å; S166-R168 PolarHBondContact O-N 3.28Å; R168-Y171 PolarHBondContact O-N 3.44Å; R168-N172 WeakPolarHBondContact O-CB 3.49Å; R168-N172 PolarHBondContact O-N 3.42Å; R168-N172 PolarHBondContact O-ND2 3.16Å; R168-N172 PolarHBondContact O-OD1 2.88Å
169Q58Low52.6Low114 Ų114112.8 Ų112.853%0.53355%0.553SS.*Hα-helixtrans-65-44.2175.5-77.7171.7-28.600110.9I165 S166 N172 I173I165-Q169 HydrophobicContact CG2-CG 4.2Å; I165-Q169 WeakPolarHBondContact O-CB 3.36Å; I165-Q169 VanDerWaalsContact O-CG 3.28Å; I165-Q169 WeakPolarHBondContact O-CG 3.28Å; I165-Q169 PolarHBondContact O-N 3.34Å; S166-Q169 PolarHBondContact O-N 3.42Å; Q169-N172 PolarHBondContact O-N 2.97Å; Q169-I173 WeakPolarHBondContact O-CD1 3.43Å; Q169-I173 VanDerWaalsContact O-CG1 3.25Å; Q169-I173 WeakPolarHBondContact O-CG1 3.27Å; Q169-I173 PolarHBondContact O-N 3Å
170L56.3Low51.6Low103 Ų103119 Ų11954%0.53957%0.574SS.*Hα-helixtrans-59.9-48.4172.7-75.5163.8000111.8S166 C167 N172 I173 E174S166-L170 PolarHBondContact O-N 2.95Å; C167-L170 PolarHBondContact O-N 3.35Å; L170-N172 VanDerWaalsContact C-N 3.31Å; L170-N172 PolarHBondContact O-N 3.2Å; L170-I173 PolarHBondContact O-N 2.85Å; L170-I173 VanDerWaalsContact O-N 3.1Å; L170-E174 PolarHBondContact O-N 2.8Å
171Y54.2Low50.5Low145 Ų145124.6 Ų124.657%0.56960%0.599SS**Hα-helixtrans-59.7-40178.4-133-102.6000112.5C167 R168 E174 F175C167-Y171 WeakPolarHBondContact O-CB 3.37Å; C167-Y171 PolarHBondContact O-N 3.2Å; R168-Y171 PolarHBondContact O-N 3.44Å; Y171-E174 PolarHBondContact O-N 3.16Å; Y171-F175 AromaticContact CD1-CD2 3.77Å; Y171-F175 HydrophobicContact CD1-CD2 3.77Å; Y171-F175 AromaticContact CD1-CE2 3.78Å; Y171-F175 HydrophobicContact CD1-CE2 3.78Å; Y171-F175 AromaticContact CE1-CD2 3.89Å; Y171-F175 HydrophobicContact CE1-CD2 3.89Å; Y171-F175 AromaticContact CE1-CE2 3.38Å; Y171-F175 HydrophobicContact CE1-CE2 3.38Å; Y171-F175 HydrophobicContact CE1-CZ 4.32Å; Y171-F175 WeakPolarHBondContact O-CB 3.37Å; Y171-F175 PolarHBondContact O-N 3.1Å
172N55.1Low49.2Very low100 Ų100124.3 Ų124.354%0.53561%0.605SS.*Hα-helixtrans-70.3-30.1177.1-69.8-6.2000112.7R168 Q169 L170 N176R168-N172 WeakPolarHBondContact O-CB 3.49Å; R168-N172 PolarHBondContact O-N 3.42Å; R168-N172 PolarHBondContact O-ND2 3.16Å; R168-N172 PolarHBondContact O-OD1 2.88Å; Q169-N172 PolarHBondContact O-N 2.97Å; L170-N172 VanDerWaalsContact C-N 3.31Å; L170-N172 PolarHBondContact O-N 3.2Å; N172-N176 VanDerWaalsContact O-CB 3.29Å; N172-N176 WeakPolarHBondContact O-CB 3.29Å; N172-N176 VanDerWaalsContact O-CG 3.23Å; N172-N176 PolarHBondContact O-N 3.1Å; N172-N176 VanDerWaalsContact O-N 3.07Å
173I53.7Low48.2Very low117 Ų117120 Ų12060%0.660%0.6SS**Hα-helixtrans-70.5-39.3173.9-69.4161.8000110.5Q169 L170Q169-I173 WeakPolarHBondContact O-CD1 3.43Å; Q169-I173 VanDerWaalsContact O-CG1 3.25Å; Q169-I173 WeakPolarHBondContact O-CG1 3.27Å; Q169-I173 PolarHBondContact O-N 3Å; L170-I173 PolarHBondContact O-N 2.85Å; L170-I173 VanDerWaalsContact O-N 3.1Å
174E49.4Very low47.6Very low140 Ų140121.9 Ų121.965%0.65461%0.609SS**Hα-helixtrans-70.5-41.6176.3-70-176.4156.500112.2L170 Y171 R177L170-E174 PolarHBondContact O-N 2.8Å; Y171-E174 PolarHBondContact O-N 3.16Å; E174-R177 WeakPolarHBondContact O-CB 3.4Å; E174-R177 PolarHBondContact O-N 3.49Å
175F42.9Very low46.8Very low145 Ų145130.6 Ų130.664%0.63665%0.645SS**Hα-helixtrans-70.2-29.4177.2-95-96.1000114.3Y171 R177Y171-F175 AromaticContact CD1-CD2 3.77Å; Y171-F175 HydrophobicContact CD1-CD2 3.77Å; Y171-F175 AromaticContact CD1-CE2 3.78Å; Y171-F175 HydrophobicContact CD1-CE2 3.78Å; Y171-F175 AromaticContact CE1-CD2 3.89Å; Y171-F175 HydrophobicContact CE1-CD2 3.89Å; Y171-F175 AromaticContact CE1-CE2 3.38Å; Y171-F175 HydrophobicContact CE1-CE2 3.38Å; Y171-F175 HydrophobicContact CE1-CZ 4.32Å; Y171-F175 WeakPolarHBondContact O-CB 3.37Å; Y171-F175 PolarHBondContact O-N 3.1Å; F175-R177 PolarHBondContact O-N 3.25Å
176N44.8Very low45.8Very low138 Ų138128.2 Ų128.274%0.73865%0.647SS**THydrogen-bonded Turntrans-76.4-1.8173.1-74.9-4.8000113.2N172 S178N172-N176 VanDerWaalsContact O-CB 3.29Å; N172-N176 WeakPolarHBondContact O-CB 3.29Å; N172-N176 VanDerWaalsContact O-CG 3.23Å; N172-N176 PolarHBondContact O-N 3.1Å; N172-N176 VanDerWaalsContact O-N 3.07Å; N176-S178 PolarHBondContact O-N 2.95Å
177R40.5Very low45.1Very low219 Ų219135 Ų13583%0.82668%0.681SS**  trans-88.443.7175.5-134.3174.2-173.2175.41.7112.1E174 F175 T179E174-R177 WeakPolarHBondContact O-CB 3.4Å; E174-R177 PolarHBondContact O-N 3.49Å; F175-R177 PolarHBondContact O-N 3.25Å; R177-T179 PolarHBondContact O-N 2.81Å
178S41.7Very low44.5Very low87 Ų87139.9 Ų139.961%0.60870%0.704SS**  trans-77.188.7175.961.30000111.9N176 E180N176-S178 PolarHBondContact O-N 2.95Å; S178-E180 PolarHBondContact O-N 3.49Å
179T39.2Very low43.8Very low138 Ų138140.8 Ų140.885%0.84772%0.715SS**SBendtrans64.4-12.4138.447.40000123.3R177R177-T179 PolarHBondContact O-N 2.81Å
180E41.6Very low42.9Very low173 Ų173142.2 Ų142.281%0.80873%0.726SS**  trans-125.3-27.3-173.5-65.2-166.1158.300118.9S178 E182S178-E180 PolarHBondContact O-N 3.49Å; E180-E182 PolarHBondContact O-N 3.24Å
181D41.6Very low42.3Very low160 Ų160142 Ų14286%0.85673%0.726SS**  trans-93102.3-167.3-70.8-34.9000116.8
182E38.3Very low42Very low172 Ų172140 Ų14080%0.80473%0.732SS**  trans45.8132.8138-60.4-163.8142.200122.7E180 I184E180-E182 PolarHBondContact O-N 3.24Å; E182-I184 PolarHBondContact O-N 3.22Å; E182-I184 VanDerWaalsContact O-N 3.12Å
183S35.6Very low41.7Very low112 Ų112143 Ų14378%0.78374%0.741SS**  trans-70.499.8167.456.90000112.1K185S183-K185 PolarHBondContact O-N 2.88Å
184I41.1Very low41.6Very low165 Ų165141.4 Ų141.485%0.84673%0.733SS**  trans-66.6100.6171.1-61.1178.8000109.7E182E182-I184 PolarHBondContact O-N 3.22Å; E182-I184 VanDerWaalsContact O-N 3.12Å
185K37.8Very low41.5Very low202 Ų202139.2 Ų139.288%0.87873%0.729SS**  trans-11582.4177.1-169.9-175.3-176.5-177.20109.6S183S183-K185 PolarHBondContact O-N 2.88Å
186G32.6Very low41.7Very low58 Ų58137.2 Ų137.260%0.59872%0.724SS**  trans108.6108.2168.300000115.3
187L34.7Very low42.2Very low154 Ų154135 Ų13581%0.80671%0.713SS**  trans179.598.5150-119.383.1000102
188L40Very low42.8Very low141 Ų141129.5 Ų129.574%0.73870%0.699SS**  cis56.788.735.4-108.9171.1000111.9
189E40.2Very low43.1Very low174 Ų174130.6 Ų130.681%0.81370%0.698SS**SBendtrans48.476.3147.8-66176.3175.600117.5
190D39.9Very low43.7Very low144 Ų144128.2 Ų128.277%0.7768%0.68SS**  trans-146.2170.2145.2-104.2-39.5000110.6S192D190-S192 PolarHBondContact O-N 3.5Å
191D43.6Very low44.2Very low99 Ų99125.1 Ų125.153%0.52967%0.669SS.*  trans72.83.4174.5-72.5-22.1000121.1K193 N194D191-K193 PolarHBondContact O-N 3.36Å; D191-N194 HydrophobicContact CB-CB 4.29Å; D191-N194 PolarHBondContact O-N 3.36Å; D191-N194 PolarHBondContact OD1-ND2 3.1Å
192S46.9Very low44.6Very low101 Ų101122 Ų12271%0.70666%0.655SS**Hα-helixtrans-62.4-23.5166.463.70000113.4D190D190-S192 PolarHBondContact O-N 3.5Å
193K48.6Very low45.2Very low164 Ų164118 Ų11871%0.71364%0.643SS**Hα-helixtrans-73.6-44.4170.9-100.2178.1172.2177.60113.3D191 V195 I196 D197D191-K193 PolarHBondContact O-N 3.36Å; K193-V195 PolarHBondContact O-N 3.39Å; K193-V195 VanDerWaalsContact O-N 3.16Å; K193-I196 PolarHBondContact O-N 3.23Å; K193-D197 PolarHBondContact O-N 3.29Å
194N53.3Low45.9Very low83 Ų83117.9 Ų117.944%0.44463%0.633SS.*Hα-helixtrans-60.7-28.9-175.9-102.1-37.9000112.7D191 N198D191-N194 HydrophobicContact CB-CB 4.29Å; D191-N194 PolarHBondContact O-N 3.36Å; D191-N194 PolarHBondContact OD1-ND2 3.1Å; N194-N198 WeakPolarHBondContact O-CB 3.39Å; N194-N198 PolarHBondContact O-N 3.11Å; N194-N198 VanDerWaalsContact O-N 3.15Å; N194-N198 PolarHBondContact O-ND2 3.08Å
195V46.2Very low46.3Very low94 Ų94116.9 Ų116.957%0.5763%0.625SS**Hα-helixtrans-71.6-34.9175.9-177.90000112.5K193 L199K193-V195 PolarHBondContact O-N 3.39Å; K193-V195 VanDerWaalsContact O-N 3.16Å; V195-L199 HydrophobicContact CG1-CD1 4.43Å; V195-L199 PolarHBondContact O-N 3.32Å
196I48.4Very low47Very low103 Ų103112.8 Ų112.853%0.52861%0.612SS.*Hα-helixtrans-76.3-41.7178.9-64.8177.4000110.6K193 N198 L199 N200K193-I196 PolarHBondContact O-N 3.23Å; I196-N198 PolarHBondContact O-N 2.98Å; I196-L199 WeakPolarHBondContact O-CB 3.34Å; I196-L199 PolarHBondContact O-N 3.05Å; I196-L199 VanDerWaalsContact O-N 3.09Å; I196-N200 PolarHBondContact O-N 2.96Å; I196-N200 PolarHBondContact O-ND2 2.72Å
197D54.3Low47.8Very low93 Ų93117.6 Ų117.650%0.49762%0.62SS.*Hα-helixtrans-65.4-41.1179.2-65.8-27.9000111.2K193 L199 N200 D201K193-D197 PolarHBondContact O-N 3.29Å; D197-L199 VanDerWaalsContact C-N 3.27Å; D197-L199 PolarHBondContact O-N 3.2Å; D197-N200 PolarHBondContact O-N 3.29Å; D197-D201 PolarHBondContact O-N 3.28Å; D197-D201 VanDerWaalsContact O-N 3.12Å
198N53.6Low48.4Very low102 Ų102117.1 Ų117.155%0.54562%0.618SS.*Hα-helixtrans-65.6-23.9171.9-79.7-64.3000114N194 I196 V202N194-N198 WeakPolarHBondContact O-CB 3.39Å; N194-N198 PolarHBondContact O-N 3.11Å; N194-N198 VanDerWaalsContact O-N 3.15Å; N194-N198 PolarHBondContact O-ND2 3.08Å; I196-N198 PolarHBondContact O-N 2.98Å; N198-V202 WeakPolarHBondContact O-CG2 3.4Å
199L47Very low48.8Very low111 Ų111116.5 Ų116.558%0.58161%0.614SS**Hα-helixtrans-77.6-35.6173.8-91.3163.4000112.1V195 I196 D197V195-L199 HydrophobicContact CG1-CD1 4.43Å; V195-L199 PolarHBondContact O-N 3.32Å; I196-L199 WeakPolarHBondContact O-CB 3.34Å; I196-L199 PolarHBondContact O-N 3.05Å; I196-L199 VanDerWaalsContact O-N 3.09Å; D197-L199 VanDerWaalsContact C-N 3.27Å; D197-L199 PolarHBondContact O-N 3.2Å
200N53.2Low48.9Very low88 Ų88115.5 Ų115.547%0.47161%0.614SS.*Hα-helixtrans-69.7-39.6176.7-69.2-33.5000111.9I196 D197 V202 V203 D204I196-N200 PolarHBondContact O-N 2.96Å; I196-N200 PolarHBondContact O-ND2 2.72Å; D197-N200 PolarHBondContact O-N 3.29Å; N200-V202 PolarHBondContact O-N 2.81Å; N200-V203 WeakPolarHBondContact O-CB 3.5Å; N200-V203 PolarHBondContact O-N 2.81Å; N200-D204 PolarHBondContact O-N 2.79Å; N200-D204 VanDerWaalsContact O-N 3.14Å
201D51.1Low49Very low108 Ų108115.7 Ų115.758%0.57862%0.615SS**Hα-helixtrans-61.4-30.5179.7-131.215.2000112.4D197 H205D197-D201 PolarHBondContact O-N 3.28Å; D197-D201 VanDerWaalsContact O-N 3.12Å; D201-H205 WeakPolarHBondContact O-CB 3.11Å; D201-H205 PolarHBondContact O-N 3.13Å
202V50Low48.9Very low93 Ų93117.2 Ų117.256%0.56463%0.633SS**Hα-helixtrans-75.4-24.9174.7176.20000112.7N198 N200 N206N198-V202 WeakPolarHBondContact O-CG2 3.4Å; N200-V202 PolarHBondContact O-N 2.81Å; V202-N206 PolarHBondContact O-ND2 3.36Å
203V51.1Low48.5Very low90 Ų90123.5 Ų123.555%0.54564%0.642SS.*Hα-helixtrans-76-44.9175.7174.90000110.5N200 N206N200-V203 WeakPolarHBondContact O-CB 3.5Å; N200-V203 PolarHBondContact O-N 2.81Å; V203-N206 PolarHBondContact O-N 2.75Å
204D50.5Low48Very low108 Ų108122.4 Ų122.458%0.57865%0.649SS**Hα-helixtrans-71.8-33.3-178.9-78.2-14.8000113N200 N206 Q207N200-D204 PolarHBondContact O-N 2.79Å; N200-D204 VanDerWaalsContact O-N 3.14Å; D204-N206 PolarHBondContact O-N 3.28Å; D204-N206 VanDerWaalsContact O-N 3.1Å; D204-Q207 PolarHBondContact O-N 3.13Å; D204-Q207 VanDerWaalsContact O-N 3.16Å
205H50.4Low47.2Very low144 Ų144122 Ų12267%0.66766%0.664SS**THydrogen-bonded Turntrans-61.8-21.7177.3-123.674.9000114.1D201D201-H205 WeakPolarHBondContact O-CB 3.11Å; D201-H205 PolarHBondContact O-N 3.13Å
206N51.2Low46.8Very low116 Ų116127.9 Ų127.962%0.6268%0.682SS**THydrogen-bonded Turntrans-82.9-11.3179.7-80.5-66.5000114.3V202 V203 D204V202-N206 PolarHBondContact O-ND2 3.36Å; V203-N206 PolarHBondContact O-N 2.75Å; D204-N206 PolarHBondContact O-N 3.28Å; D204-N206 VanDerWaalsContact O-N 3.1Å
207Q49Very low46.2Very low160 Ų160132.3 Ų132.375%0.74870%0.698SS**THydrogen-bonded Turntrans-88.3-17.9177.7-66.4-161.53.700114.3D204D204-Q207 PolarHBondContact O-N 3.13Å; D204-Q207 VanDerWaalsContact O-N 3.16Å
208N48.8Very low45.6Very low144 Ų144133.2 Ų133.277%0.7771%0.711SS**SBendtrans-100.33.5-168-122.2-17.9000115.9N210N208-N210 VanDerWaalsContact C-N 3.26Å; N208-N210 PolarHBondContact O-N 3.34Å
209I46.7Very low44.8Very low127 Ų127134.8 Ų134.865%0.65172%0.72SS**THydrogen-bonded Turntrans-75.8-4.4-168.2-67.8175.3000114.4
210N43.5Very low44.6Very low153 Ų153134.7 Ų134.782%0.81872%0.723SS**THydrogen-bonded Turntrans-84.6-6.5-174.1-80.3-29.6000116.7N208N208-N210 VanDerWaalsContact C-N 3.26Å; N208-N210 PolarHBondContact O-N 3.34Å
211N40.9Very low43.8Very low149 Ų149137.3 Ų137.380%0.79774%0.737SS**SBendtrans-139.389.5-176.3-82.6-38.3000114.3
212S42Very low43.2Very low130 Ų130140.3 Ų140.391%0.90975%0.748SS**  trans177.9138133.838.80000111.9
213R37.9Very low42.6Very low233 Ų233143.1 Ų143.188%0.87976%0.758SS**  trans-131151.2-178.9-173.4178.3178.5167-1.3108.4
214T38.9Very low42.2Very low142 Ų142143.6 Ų143.687%0.87176%0.761SS**  trans82.6140175.3790000116.3
215G36.8Very low41.6Very low74 Ų74145.6 Ų145.676%0.76377%0.772SS**  trans164.121.9173.700000124.1
216K37.1Very low41.3Very low217 Ų217145.6 Ų145.694%0.94378%0.777SS**  trans64.6167.7164.8-75.6179.1172.9177.90119.5
217K36.3Very low41.1Very low196 Ų196144 Ų14485%0.85277%0.769SS**  trans-121.6140.2-177-70.3176.1171.3-178.20110.6
218S40.6Very low40.6Very low113 Ų113141.6 Ų141.679%0.7976%0.764SS**  trans-176.3159.3145.248.80000111.6
219D38.6Very low40.3Very low134 Ų134140.9 Ų140.972%0.71776%0.761SS**  cis-159.9153-42.6-103.3-43000112.6
220V41.1Very low40.1Very low109 Ų109139.1 Ų139.166%0.66175%0.752SS**  trans44.8110.5145.6-176.10000120.7
221N37.7Very low39.7Very low143 Ų143137.5 Ų137.577%0.76574%0.741SS**  -177.8158.2111.4-101.9-46.4000116.5
222H38.7Very low39.6Very low172 Ų172136.3 Ų136.380%0.79673%0.732SS**  trans-23.5141.9175.1-74.3-93.8000120.6
223I37Very low39.6Very low151 Ų151135.4 Ų135.477%0.77472%0.717SS**  trans-155.2151.5135.1-99.7147.5000110.3
224T42Very low39.8Very low100 Ų100131.1 Ų131.161%0.61371%0.705SS**  trans-63-176.9-165.734.60000118.7D226 N227T224-D226 VanDerWaalsContact C-N 3.32Å; T224-D226 PolarHBondContact O-N 3.14Å; T224-N227 PolarHBondContact O-ND2 2.93Å
225D38.9Very low39.8Very low150 Ų150130 Ų13080%0.80269%0.691SS**THydrogen-bonded Turntrans-68.36.7-155.4-65.3-69.7000119.4N227D225-N227 PolarHBondContact O-N 3.2Å; D225-N227 VanDerWaalsContact O-N 3.09Å
226D44.4Very low39.9Very low145 Ų145134.5 Ų134.578%0.77569%0.686SS**THydrogen-bonded Turntrans-72.8-1.4178.8-65.9-47.2000114.3T224 V228T224-D226 VanDerWaalsContact C-N 3.32Å; T224-D226 PolarHBondContact O-N 3.14Å; D226-V228 VanDerWaalsContact C-N 3.33Å; D226-V228 PolarHBondContact O-N 3.06Å
227N45.2Very low40Very low83 Ų83132.8 Ų132.844%0.44468%0.675SS.*Hα-helixtrans-72.4-13.4-169.4-90.8-64.2000115.7T224 D225 L230 M231T224-N227 PolarHBondContact O-ND2 2.93Å; D225-N227 PolarHBondContact O-N 3.2Å; D225-N227 VanDerWaalsContact O-N 3.09Å; N227-L230 PolarHBondContact O-N 2.98Å; N227-M231 WeakPolarHBondContact O-CB 3.42Å; N227-M231 PolarHBondContact O-N 3.44Å
228V39.8Very low40Very low109 Ų109130.3 Ų130.366%0.66166%0.664SS**Hα-helixtrans-66.5-43-177.8-177.50000111.8D226 M232D226-V228 VanDerWaalsContact C-N 3.33Å; D226-V228 PolarHBondContact O-N 3.06Å; V228-M232 PolarHBondContact O-N 3.42Å; V228-M232 VanDerWaalsContact O-N 3.13Å
229N41.7Very low39.8Very low129 Ų129134.5 Ų134.569%0.6966%0.663SS**Hα-helixtrans-72.3-37.6176.9-86.2-29.6000112.2M231 M232 N233N229-M231 VanDerWaalsContact C-N 3.31Å; N229-M231 PolarHBondContact O-N 3.23Å; N229-M232 PolarHBondContact O-N 3.18Å; N229-N233 PolarHBondContact O-N 3.45Å; N229-N233 VanDerWaalsContact O-N 3.16Å
230L42.7Very low40Very low89 Ų89132.4 Ų132.447%0.46666%0.655SS.*Hα-helixtrans-66.5-34.2176.2-162.471.1000111.9N227 K234N227-L230 PolarHBondContact O-N 2.98Å; L230-K234 WeakPolarHBondContact O-CB 3.3Å; L230-K234 PolarHBondContact O-N 3.18Å
231M36.2Very low39.9Very low120 Ų120132.1 Ų132.159%0.59165%0.65SS**Hα-helixtrans-74.9-35.2178.5-170.4158.8168.400112.7N227 N229 M235N227-M231 WeakPolarHBondContact O-CB 3.42Å; N227-M231 PolarHBondContact O-N 3.44Å; N229-M231 VanDerWaalsContact C-N 3.31Å; N229-M231 PolarHBondContact O-N 3.23Å; M231-M235 HydrophobicContact CE-CE 3.8Å; M231-M235 WeakPolarHBondContact O-CB 3.39Å; M231-M235 WeakPolarHBondContact O-CG 3.44Å; M231-M235 PolarHBondContact O-N 3.26Å
232M38.2Very low39.9Very low123 Ų123132.8 Ų132.861%0.60665%0.646SS**Hα-helixtrans-61.8-46.6168.7-83.5-134.4-168.200111.9V228 N229 K234 M235 Y236V228-M232 PolarHBondContact O-N 3.42Å; V228-M232 VanDerWaalsContact O-N 3.13Å; N229-M232 PolarHBondContact O-N 3.18Å; M232-K234 PolarHBondContact O-N 3.47Å; M232-M235 PolarHBondContact O-N 3.1Å; M232-Y236 PolarHBondContact O-N 2.92Å
233N41.3Very low39.9Very low112 Ų112132.7 Ų132.760%0.59965%0.646SS**Hα-helixtrans-64-40.6178.1-83-21.2000112.5N229 M235 Y236 Y237N229-N233 PolarHBondContact O-N 3.45Å; N229-N233 VanDerWaalsContact O-N 3.16Å; N233-M235 PolarHBondContact O-N 2.86Å; N233-Y236 PolarHBondContact O-N 2.83Å; N233-Y237 PolarHBondContact O-N 3.19Å
234K42.9Very low39.9Very low143 Ų143131.9 Ų131.962%0.62264%0.643SS**Hα-helixtrans-67.4-31173-80-179.4176.4171.90113.2L230 M232 K238L230-K234 WeakPolarHBondContact O-CB 3.3Å; L230-K234 PolarHBondContact O-N 3.18Å; M232-K234 PolarHBondContact O-N 3.47Å; K234-K238 VanDerWaalsContact O-CB 3.23Å; K234-K238 WeakPolarHBondContact O-CB 3.4Å; K234-K238 PolarHBondContact O-N 2.91Å
235M38.2Very low39.6Very low119 Ų119134.3 Ų134.359%0.58665%0.651SS**Hα-helixtrans-72.6-36.6173.9-78.4-148.8-174.500113M231 M232 N233 K238 R239M231-M235 HydrophobicContact CE-CE 3.8Å; M231-M235 WeakPolarHBondContact O-CB 3.39Å; M231-M235 WeakPolarHBondContact O-CG 3.44Å; M231-M235 PolarHBondContact O-N 3.26Å; M232-M235 PolarHBondContact O-N 3.1Å; N233-M235 PolarHBondContact O-N 2.86Å; M235-K238 PolarHBondContact O-N 2.87Å; M235-R239 PolarHBondContact O-N 2.96Å; M235-R239 VanDerWaalsContact O-N 3.1Å
236Y39Very low39.5Very low167 Ų167131.7 Ų131.766%0.65565%0.645SS**Hα-helixtrans-66.2-48.4177.8-103.9-86.3000112.3M232 N233 K238 R239 T240M232-Y236 PolarHBondContact O-N 2.92Å; N233-Y236 PolarHBondContact O-N 2.83Å; Y236-K238 VanDerWaalsContact C-N 3.25Å; Y236-K238 PolarHBondContact O-N 2.67Å; Y236-R239 PolarHBondContact O-N 3.37Å; Y236-R239 VanDerWaalsContact O-N 3.11Å; Y236-T240 PolarHBondContact O-N 2.8Å; Y236-T240 PolarHBondContact O-OG1 3.44Å
237Y38.6Very low39Very low182 Ų182131.9 Ų131.971%0.71465%0.646SS**Hα-helixtrans-61.1-32.5174-94.7-84.5000113.2N233 R239 T240 N241N233-Y237 PolarHBondContact O-N 3.19Å; Y237-R239 VanDerWaalsContact C-N 3.32Å; Y237-R239 PolarHBondContact O-N 2.8Å; Y237-T240 PolarHBondContact O-OG1 3.13Å; Y237-N241 WeakPolarHBondContact O-CB 3.36Å; Y237-N241 PolarHBondContact O-N 3.3Å
238K36.7Very low38.4Very low143 Ų143138.3 Ų138.362%0.62267%0.67SS**Hα-helixtrans-80.1-10.6178.6-156.3167.9-169171.40113.7K234 M235 Y236 K242K234-K238 VanDerWaalsContact O-CB 3.23Å; K234-K238 WeakPolarHBondContact O-CB 3.4Å; K234-K238 PolarHBondContact O-N 2.91Å; M235-K238 PolarHBondContact O-N 2.87Å; Y236-K238 VanDerWaalsContact C-N 3.25Å; Y236-K238 PolarHBondContact O-N 2.67Å; K238-K242 WeakPolarHBondContact O-CB 3.29Å
239R36.6Very low38.1Very low202 Ų202137.5 Ų137.576%0.76267%0.669SS**Hα-helixtrans-89.2-44.3173.1-116.6178.1-176.2160.22.5112.1M235 Y236 Y237M235-R239 PolarHBondContact O-N 2.96Å; M235-R239 VanDerWaalsContact O-N 3.1Å; Y236-R239 PolarHBondContact O-N 3.37Å; Y236-R239 VanDerWaalsContact O-N 3.11Å; Y237-R239 VanDerWaalsContact C-N 3.32Å; Y237-R239 PolarHBondContact O-N 2.8Å
240T42.8Very low37.6Very low89 Ų89137.6 Ų137.655%0.54667%0.674SS.*Hα-helixtrans-68-38.4176.750.30000112Y236 Y237 K242Y236-T240 PolarHBondContact O-N 2.8Å; Y236-T240 PolarHBondContact O-OG1 3.44Å; Y237-T240 PolarHBondContact O-OG1 3.13Å; T240-K242 PolarHBondContact O-N 3.4Å
241N38.5Very low37.2Very low104 Ų104139.5 Ų139.556%0.55669%0.689SS**THydrogen-bonded Turntrans-85.5-3.1-177-138.4-2.9000114.8Y237Y237-N241 WeakPolarHBondContact O-CB 3.36Å; Y237-N241 PolarHBondContact O-N 3.3Å
242K37.6Very low37.2Very low157 Ų157138.9 Ų138.968%0.68368%0.683SS**THydrogen-bonded Turntrans-97.1-10.8175.4-94.1-163.7166.8-162.20115.2K238 T240K238-K242 WeakPolarHBondContact O-CB 3.29Å; T240-K242 PolarHBondContact O-N 3.4Å
243Q39.4Very low37.2Very low170 Ų170135.3 Ų135.379%0.79467%0.669SS**SBendtrans-86.6-10.9173.6-74.4-175.2-53.400113.5
244N38Very low37.2Very low134 Ų134136.4 Ų136.472%0.71767%0.665SS**SBendtrans-97.68.6179.4-72.1-14.9000114.8
245L35.8Very low37.2Very low151 Ų151135.9 Ų135.979%0.79166%0.66SS**SBendtrans-130.446.5-177.2-79.9163.6000112.4
246S35.2Very low37.2Very low95 Ų95134.6 Ų134.666%0.66465%0.652SS**SBendtrans-158.2122.1160.1-172.40000110.2
247N34Very low37.2Very low149 Ų149131.4 Ų131.480%0.79765%0.647SS**SBendtrans88.7126.7-177.7-59.1-25.1000117.6S249N247-S249 PolarHBondContact O-N 2.81Å
248K32.6Very low37.2Very low218 Ų218129.2 Ų129.295%0.94864%0.641SS**  trans-64.392.1166.4-65.1168.4173.8176.60110.3
249S34.4Very low37.1Very low92 Ų92129.9 Ų129.964%0.64365%0.651SS**  trans-140.1119.6147.653.90000108.7N247 V251N247-S249 PolarHBondContact O-N 2.81Å; S249-V251 PolarHBondContact O-N 3.17Å
250V31.3Very low37Very low130 Ų130126.7 Ų126.779%0.78865%0.645SS**  trans-70.199.8170.8-1770000106.1K252V250-K252 HydrophobicContact CG1-CG 3.77Å; V250-K252 PolarHBondContact O-N 3.26Å
251V34.5Very low36.6Very low130 Ų130128.6 Ų128.679%0.78865%0.65SS**  trans-69.780.6164.9-178.40000106.2S249S249-V251 PolarHBondContact O-N 3.17Å
252K36.1Very low36.2Very low106 Ų106129.9 Ų129.946%0.46166%0.662SS.*  trans-58.7131.6171.7-81.9-169.8165.3-117.70107.7V250 E256V250-K252 HydrophobicContact CG1-CG 3.77Å; V250-K252 PolarHBondContact O-N 3.26Å; K252-E256 HydrophobicContact CD-CB 4.49Å; K252-E256 VanDerWaalsContact CD-OE2 3.28Å; K252-E256 WeakPolarHBondContact CD-OE2 3.41Å; K252-E256 VanDerWaalsContact CE-OE2 3.29Å; K252-E256 WeakPolarHBondContact CE-OE2 3.28Å; K252-E256 WeakPolarHBondContact CG-OE2 3.4Å; K252-E256 IonicContact NZ-OE2 3.73Å; K252-E256 PolarHBondContact NZ-OE2 3.11Å
253P37Very low35.8Very low49 Ų49131 Ų13132%0.31867%0.672SS.*  trans-58.3146.41707.6-7.7000110.1Y255 E256P253-Y255 HydrophobicContact CB-CD1 3.8Å; P253-Y255 HydrophobicContact CB-CD2 3.85Å; P253-Y255 HydrophobicContact CB-CE1 3.35Å; P253-Y255 HydrophobicContact CB-CE2 3.41Å; P253-Y255 VanDerWaalsContact CB-CE2 3.41Å; P253-Y255 HydrophobicContact CB-CG 4.04Å; P253-Y255 WeakPolarHBondContact CB-OH 3.4Å; P253-Y255 HydrophobicContact CG-CD2 4.1Å; P253-Y255 HydrophobicContact CG-CE1 4.25Å; P253-Y255 HydrophobicContact CG-CE2 3.42Å; P253-Y255 VanDerWaalsContact CG-CE2 3.42Å; P253-Y255 PolarHBondContact O-N 3.41Å; P253-E256 HydrophobicContact CG-CG 4.42Å; P253-E256 PolarHBondContact O-N 2.87Å; P253-E256 VanDerWaalsContact O-N 3.13Å
254W41.4Very low35.4Very low135 Ų135132.2 Ų132.251%0.51168%0.675SS.*G310 helixtrans-61.7-15.5-171.587.8-8.8000114.4I143 P144I143-W254 HydrophobicContact CB-CH2 4.1Å; I143-W254 HydrophobicContact CB-CZ2 3.94Å; I143-W254 HydrophobicContact CD1-CH2 4.19Å; I143-W254 HydrophobicContact CD1-CZ3 4.49Å; I143-W254 HydrophobicContact CG1-CH2 3.68Å; I143-W254 HydrophobicContact CG1-CZ2 4.03Å; I143-W254 HydrophobicContact CG1-CZ3 4.4Å; I143-W254 HydrophobicContact CG2-CH2 3.95Å; I143-W254 HydrophobicContact CG2-CZ2 3.37Å; P144-W254 HydrophobicContact CG-CZ2 4.44Å
255Y42.6Very low35.1Very low132 Ų132133.7 Ų133.752%0.51868%0.682SS.*G310 helixtrans-79.7-20.7-176.240.1-101.7000112.5P253 N257P253-Y255 HydrophobicContact CB-CD1 3.8Å; P253-Y255 HydrophobicContact CB-CD2 3.85Å; P253-Y255 HydrophobicContact CB-CE1 3.35Å; P253-Y255 HydrophobicContact CB-CE2 3.41Å; P253-Y255 VanDerWaalsContact CB-CE2 3.41Å; P253-Y255 HydrophobicContact CB-CG 4.04Å; P253-Y255 WeakPolarHBondContact CB-OH 3.4Å; P253-Y255 HydrophobicContact CG-CD2 4.1Å; P253-Y255 HydrophobicContact CG-CE1 4.25Å; P253-Y255 HydrophobicContact CG-CE2 3.42Å; P253-Y255 VanDerWaalsContact CG-CE2 3.42Å; P253-Y255 PolarHBondContact O-N 3.41Å; Y255-N257 VanDerWaalsContact C-N 3.26Å; Y255-N257 PolarHBondContact O-N 3.36Å
256E38.7Very low34.8Very low91 Ų91133.9 Ų133.943%0.42568%0.683SS.*G310 helixtrans-73.5-11.4177.1-72.1-159.714800114.6K252 P253K252-E256 HydrophobicContact CD-CB 4.49Å; K252-E256 VanDerWaalsContact CD-OE2 3.28Å; K252-E256 WeakPolarHBondContact CD-OE2 3.41Å; K252-E256 VanDerWaalsContact CE-OE2 3.29Å; K252-E256 WeakPolarHBondContact CE-OE2 3.28Å; K252-E256 WeakPolarHBondContact CG-OE2 3.4Å; K252-E256 IonicContact NZ-OE2 3.73Å; K252-E256 PolarHBondContact NZ-OE2 3.11Å; P253-E256 HydrophobicContact CG-CG 4.42Å; P253-E256 PolarHBondContact O-N 2.87Å; P253-E256 VanDerWaalsContact O-N 3.13Å
257N39.3Very low34.6Very low100 Ų100136.2 Ų136.254%0.53569%0.686SS.*G310 helixtrans-110.38.5-168.5-150.810.5000115.3Y255Y255-N257 VanDerWaalsContact C-N 3.26Å; Y255-N257 PolarHBondContact O-N 3.36Å
258K38Very low34.5Very low136 Ų136134 Ų13459%0.59167%0.674SS**SBendtrans-97.5-21.9175.4-75.6-174.1176.8177.60114.8
259N36.2Very low34.6Very low158 Ų158128.3 Ų128.385%0.84566%0.659SS**SBendtrans-1028.1178.6-68.8-6.9000114.4
260Q33.9Very low34.9Very low134 Ų134130.2 Ų130.263%0.62666%0.662SS**SBendtrans-107.23.2178.4-69.3-165.1-1200114.9
261I33.1Very low35.2Very low129 Ų129130.6 Ų130.666%0.66266%0.66SS**SBendtrans-101.9-8.1-174.9-63.4179.3000113
262V30.6Very low35.1Very low131 Ų131131.1 Ų131.179%0.79466%0.657SS**SBendtrans-122.158.4179.2-165.40000112
263M29.1Very low34.9Very low182 Ų182133 Ų13390%0.89767%0.672SS**SBendtrans-16018.6163.7-124.2175.8-164.900116.1
264K31.3Very low34.8Very low195 Ų195136.1 Ų136.185%0.84870%0.695SS**SBendtrans-104.83.8-171.5-117.3-179.2-177.9-179.70117.3
265N31.8Very low34.2Very low165 Ų165137.8 Ų137.888%0.88271%0.714SS**SBendtrans-132.842.3-179.8-81.8-7.6000112.8
266I29.6Very low33.8Very low155 Ų155138.2 Ų138.280%0.79572%0.724SS**  trans-138.4149.4163.7-49-179.5000107.5
267I31.9Very low33.4Very low143 Ų143142.7 Ų142.773%0.73374%0.742SS**  trans7975.9-179.8-41.9173.3000114P269I267-P269 HydrophobicContact CG2-CG 4.43Å
268N31.4Very low33.1Very low103 Ų103145.6 Ų145.655%0.55176%0.757SS**  trans-72.4121.4139.5-178.226.1000107N270 D271N268-N270 PolarHBondContact O-N 2.99Å; N268-D271 PolarHBondContact ND2-OD2 3.46Å
269P35.2Very low32.8Very low98 Ų98146 Ų14664%0.63676%0.761SS**THydrogen-bonded Turntrans-70.5-0.2-171.9-2234.3000116.5I267I267-P269 HydrophobicContact CG2-CG 4.43Å
270N40.8Very low32.5Very low132 Ų132145.1 Ų145.171%0.70676%0.756SS**THydrogen-bonded Turntrans-112.7-7.9-164.2-71.6-7.2000115.7N268 I272N268-N270 PolarHBondContact O-N 2.99Å; N270-I272 PolarHBondContact O-N 3.34Å
271D36.4Very low32.5Very low138 Ų138147.2 Ų147.274%0.73877%0.77SS**  trans-95.574.9179.7-65.6-56.5000110.9N268N268-D271 PolarHBondContact ND2-OD2 3.46Å
272I31.9Very low32.4Very low141 Ų141148.2 Ų148.272%0.72378%0.777SS**  trans-81.1146.2165.4-64.5172.5000108.2N270N270-I272 PolarHBondContact O-N 3.34Å
273D32.1Very low32.4Very low147 Ų147149.5 Ų149.579%0.78678%0.779SS**  trans65.493.9174.8-63.4-29.4000118.5
274S35.2Very low32.5Very low114 Ų114146.8 Ų146.880%0.79778%0.775SS**  -165.7125.6127.9290000113.5I276S274-I276 PolarHBondContact O-N 2.83Å
275N29.4Very low32.7Very low169 Ų169146.4 Ų146.490%0.90478%0.779SS**  trans-72.5118.9169.1-80.5-63.3000110.6
276I33.6Very low32.8Very low141 Ų141147 Ų14772%0.72378%0.776SS**  trans-132.4104.9159.8-58.8-176.8000109.7S274 L278S274-I276 PolarHBondContact O-N 2.83Å; I276-L278 HydrophobicContact CG2-CD1 4.24Å
277K29.8Very low33.1Very low186 Ų186147 Ų14781%0.80978%0.777SS**  trans-71.7135.4157.2-85.1-175.6169.4-169.50108.7
278L33.5Very low33.4Very low161 Ų161147.9 Ų147.984%0.84378%0.776SS**  trans-147.6111.1157.8-114.5153.8000109.7I276I276-L278 HydrophobicContact CG2-CD1 4.24Å
279E31.7Very low33.5Very low145 Ų145146.4 Ų146.468%0.67879%0.785SS**  trans-80.8168.7174.9-66.8168.7163.300110.7
280N29.8Very low33.8Very low138 Ų138147.1 Ų147.174%0.73878%0.783SS**  trans76.684.9167-54.8-45000118.2
281L33.3Very low33.5Very low178 Ų178148.5 Ų148.593%0.93279%0.79SS**  trans-136.184143.4-103.7166000109.7N283L281-N283 PolarHBondContact O-N 3.44Å
282N31.2Very low33.7Very low150 Ų150144.8 Ų144.880%0.80277%0.769SS**  trans-72.3114.1170.7-86.2-30.6000110.3
283N32.1Very low33.7Very low158 Ų158140.3 Ų140.385%0.84575%0.751SS**  trans-158.6129.9145.2-118.4-17.7000110.6L281L281-N283 PolarHBondContact O-N 3.44Å
284P30.3Very low34.1Very low125 Ų125138.1 Ų138.181%0.81274%0.744SS**  trans-88.8116.1-170.633-32.7000112
285M34.7Very low34.1Very low188 Ų188141.4 Ų141.493%0.92674%0.741SS**  trans-131.7119.1156.8-139.4175.2-176.800108.3D287M285-D287 PolarHBondContact O-N 3.24Å
286H35.2Very low34.6Very low177 Ų177138.7 Ų138.782%0.81972%0.723SS**  trans-67.3100-167.5-109.9-72000111.9K288H286-K288 PolarHBondContact O-N 3.47Å
287D35.3Very low34.8Very low154 Ų154136.5 Ų136.582%0.82471%0.706SS**  trans-76.5107.8161.5-164.2-0.1000108.5M285M285-D287 PolarHBondContact O-N 3.24Å
288K37.5Very low35.3Very low163 Ų163131.2 Ų131.271%0.70969%0.689SS**  trans-9786.9171.8-79.6-169176.9-175.50108.3H286 I290H286-K288 PolarHBondContact O-N 3.47Å; K288-I290 VanDerWaalsContact C-N 3.32Å; K288-I290 PolarHBondContact O-N 2.85Å
289G34.3Very low36.1Very low72 Ų72126.8 Ų126.874%0.74267%0.672SS**  trans-59.897.6156.900000108.9N291G289-N291 PolarHBondContact O-N 2.96Å; G289-N291 VanDerWaalsContact O-N 3.1Å
290I41Very low37.1Very low113 Ų113122.1 Ų122.158%0.57965%0.652SS**  trans-74.9103.8178-54.6-178.1000107.5K288 I292K288-I290 VanDerWaalsContact C-N 3.32Å; K288-I290 PolarHBondContact O-N 2.85Å; I290-I292 HydrophobicContact CB-CG1 4.29Å; I290-I292 HydrophobicContact CG2-CG1 3.61Å; I290-I292 PolarHBondContact O-N 3.34Å
291N35.7Very low38.1Very low160 Ų160118.4 Ų118.486%0.85664%0.64SS**  trans-74.681167.5-155.71.1000107.5G289 S293G289-N291 PolarHBondContact O-N 2.96Å; G289-N291 VanDerWaalsContact O-N 3.1Å; N291-S293 PolarHBondContact O-N 2.7Å
292I40.8Very low39.2Very low60 Ų60115.9 Ų115.931%0.30862%0.623SS.*  trans-63108.8-178.1-58.4174.1000107.7I290 E296 Y297I290-I292 HydrophobicContact CB-CG1 4.29Å; I290-I292 HydrophobicContact CG2-CG1 3.61Å; I290-I292 PolarHBondContact O-N 3.34Å; I292-E296 HydrophobicContact CG2-CB 4.29Å; I292-Y297 HydrophobicContact CG2-CD2 4.14Å; I292-Y297 HydrophobicContact CG2-CE2 3.86Å
293S30.8Very low40.6Very low48 Ų48111.1 Ų111.134%0.33659%0.594SS.*  trans-69.9146.6177.184.70000109.8N291 Y295 E296N291-S293 PolarHBondContact O-N 2.7Å; S293-Y295 PolarHBondContact O-N 3.24Å; S293-E296 PolarHBondContact O-N 3.13Å; S293-E296 VanDerWaalsContact O-N 3.07Å
294P40.5Very low41.7Very low100 Ų100104.1 Ų104.165%0.64956%0.557SS**Hα-helixtrans-53.9-20.7177.9-28.135.7000114.6E296 Y297P294-E296 VanDerWaalsContact C-N 3.34Å; P294-E296 PolarHBondContact O-N 2.82Å; P294-Y297 PolarHBondContact O-N 2.98Å
295Y36.2Very low43.3Very low184 Ų184105.6 Ų105.672%0.72255%0.55SS**Hα-helixtrans-69.8-22.7179.9-56.4-72.9000114.3S293 T298 S299S293-Y295 PolarHBondContact O-N 3.24Å; Y295-T298 WeakPolarHBondContact CA-OG1 3.17Å; Y295-T298 PolarHBondContact O-OG1 3.22Å; Y295-S299 PolarHBondContact O-N 3.44Å
296E39.3Very low44.6Very low112 Ų112102.5 Ų102.552%0.52353%0.534SS..Hα-helixtrans-74.2-32.5175.6-72.6-170134.900112.4I292 S293 P294 S299 N300I292-E296 HydrophobicContact CG2-CB 4.29Å; S293-E296 PolarHBondContact O-N 3.13Å; S293-E296 VanDerWaalsContact O-N 3.07Å; P294-E296 VanDerWaalsContact C-N 3.34Å; P294-E296 PolarHBondContact O-N 2.82Å; E296-S299 WeakPolarHBondContact O-CB 3.32Å; E296-S299 PolarHBondContact O-N 3.06Å; E296-N300 PolarHBondContact O-N 3.28Å
297Y37.8Very low45.9Very low94 Ų9496 Ų9637%0.36950%0.503SS..Hα-helixtrans-65.7-40.7175-84.7-90000112.2D146 I292 P294 S299 N300 A301D146-Y297 WeakPolarHBondContact OD2-CE1 3.2Å; I292-Y297 HydrophobicContact CG2-CD2 4.14Å; I292-Y297 HydrophobicContact CG2-CE2 3.86Å; P294-Y297 PolarHBondContact O-N 2.98Å; Y297-S299 VanDerWaalsContact C-N 3.27Å; Y297-S299 PolarHBondContact O-N 3.33Å; Y297-N300 PolarHBondContact O-N 3.44Å; Y297-A301 PolarHBondContact O-N 3.26Å; Y297-A301 VanDerWaalsContact O-N 3.12Å
298T40.1Very low47Very low75 Ų7591.4 Ų91.446%0.4648%0.476SS..Hα-helixtrans-60.7-36.117436.40000112.5Y295 Q302Y295-T298 WeakPolarHBondContact CA-OG1 3.17Å; Y295-T298 PolarHBondContact O-OG1 3.22Å; T298-Q302 VanDerWaalsContact O-CB 3.29Å; T298-Q302 WeakPolarHBondContact O-CB 3.4Å; T298-Q302 VanDerWaalsContact O-CG 3.27Å; T298-Q302 WeakPolarHBondContact O-CG 3.49Å; T298-Q302 PolarHBondContact O-N 2.86Å
299S51.1Low48.2Very low68 Ų6887.1 Ų87.148%0.47646%0.464SS..Hα-helixtrans-62.5-47.4176.4174.30000112.1Y295 E296 Y297 Q302 Y303Y295-S299 PolarHBondContact O-N 3.44Å; E296-S299 WeakPolarHBondContact O-CB 3.32Å; E296-S299 PolarHBondContact O-N 3.06Å; Y297-S299 VanDerWaalsContact C-N 3.27Å; Y297-S299 PolarHBondContact O-N 3.33Å; S299-Q302 PolarHBondContact O-N 2.91Å; S299-Y303 VanDerWaalsContact O-CB 3.22Å; S299-Y303 WeakPolarHBondContact O-CB 3.35Å; S299-Y303 PolarHBondContact O-N 3.02Å
300N51.9Low49.4Very low48 Ų4888 Ų8826%0.25745%0.451SS..Hα-helixtrans-66.8-44-180-77-20.3000112.2E296 Y297 Y303 L304E296-N300 PolarHBondContact O-N 3.28Å; Y297-N300 PolarHBondContact O-N 3.44Å; N300-Y303 PolarHBondContact O-N 3.15Å; N300-L304 WeakPolarHBondContact O-CB 3.48Å; N300-L304 WeakPolarHBondContact O-CD1 3.42Å; N300-L304 WeakPolarHBondContact O-CG 3.38Å; N300-L304 PolarHBondContact O-N 2.87Å
301A51.3Low50Low59 Ų5986.7 Ų86.749%0.48845%0.445SS..Hα-helixtrans-64.5-40.9177.800000112.5Y297 K305Y297-A301 PolarHBondContact O-N 3.26Å; Y297-A301 VanDerWaalsContact O-N 3.12Å; A301-K305 WeakPolarHBondContact O-CB 3.23Å; A301-K305 PolarHBondContact O-N 3.31Å
302Q57Low50.9Low126 Ų12683.5 Ų83.559%0.58943%0.432SS*.Hα-helixtrans-66-46174.1-75.6177.5-2900111.9T298 S299 L304 K305 E306T298-Q302 VanDerWaalsContact O-CB 3.29Å; T298-Q302 WeakPolarHBondContact O-CB 3.4Å; T298-Q302 VanDerWaalsContact O-CG 3.27Å; T298-Q302 WeakPolarHBondContact O-CG 3.49Å; T298-Q302 PolarHBondContact O-N 2.86Å; S299-Q302 PolarHBondContact O-N 2.91Å; Q302-L304 VanDerWaalsContact C-N 3.31Å; Q302-L304 PolarHBondContact O-N 3.4Å; Q302-K305 WeakPolarHBondContact O-CB 3.49Å; Q302-K305 PolarHBondContact O-N 3.14Å; Q302-K305 VanDerWaalsContact O-N 3.14Å; Q302-E306 WeakPolarHBondContact O-CG 3.46Å; Q302-E306 PolarHBondContact O-N 3.43Å
303Y59.4Low51.5Low50 Ų5085.4 Ų85.420%0.19644%0.442CS..Hα-helixtrans-58-43176.7172.4-107.7000112.2K136 S299 N300 K307K136-Y303 HydrophobicContact CB-CD1 4.02Å; K136-Y303 HydrophobicContact CB-CE1 3.74Å; K136-Y303 HydrophobicContact CD-CD2 3.96Å; K136-Y303 HydrophobicContact CD-CE1 4.4Å; K136-Y303 HydrophobicContact CD-CE2 3.81Å; K136-Y303 HydrophobicContact CD-CG 4.3Å; K136-Y303 HydrophobicContact CG-CE1 4.42Å; K136-Y303 HydrophobicContact CG-CE2 4.5Å; S299-Y303 VanDerWaalsContact O-CB 3.22Å; S299-Y303 WeakPolarHBondContact O-CB 3.35Å; S299-Y303 PolarHBondContact O-N 3.02Å; N300-Y303 PolarHBondContact O-N 3.15Å; Y303-K307 HydrophobicContact CE1-CD 4.13Å; Y303-K307 WeakPolarHBondContact O-CB 3.43Å; Y303-K307 PolarHBondContact O-N 2.98Å
304L55.7Low52.5Low11 Ų1187.9 Ų87.96%0.05845%0.451CS..Hα-helixtrans-63.8-46.4175-76.3158.8000110.9L134 I152 N300 Q302 E306 K307 F308L134-L304 HydrophobicContact CB-CD2 4.42Å; L134-L304 HydrophobicContact CD2-CD2 4.03Å; L134-L304 WeakPolarHBondContact O-CD2 3.26Å; I152-L304 HydrophobicContact CD1-CD1 4.29Å; I152-L304 HydrophobicContact CG2-CD1 4.16Å; I152-L304 HydrophobicContact CG2-CD2 4.33Å; N300-L304 WeakPolarHBondContact O-CB 3.48Å; N300-L304 WeakPolarHBondContact O-CD1 3.42Å; N300-L304 WeakPolarHBondContact O-CG 3.38Å; N300-L304 PolarHBondContact O-N 2.87Å; Q302-L304 VanDerWaalsContact C-N 3.31Å; Q302-L304 PolarHBondContact O-N 3.4Å; L304-E306 PolarHBondContact O-N 3.04Å; L304-K307 PolarHBondContact O-N 3.48Å; L304-F308 WeakPolarHBondContact O-CD2 3.23Å; L304-F308 PolarHBondContact O-N 3.1Å
305K63.9Low53Low155 Ų15589.5 Ų89.567%0.67445%0.45SS*.Hα-helixtrans-57.9-48.3176.2-174.7178.6179.5179.50112.4A301 Q302 K307 F308 T309A301-K305 WeakPolarHBondContact O-CB 3.23Å; A301-K305 PolarHBondContact O-N 3.31Å; Q302-K305 WeakPolarHBondContact O-CB 3.49Å; Q302-K305 PolarHBondContact O-N 3.14Å; Q302-K305 VanDerWaalsContact O-N 3.14Å; K305-K307 VanDerWaalsContact C-N 3.34Å; K305-K307 PolarHBondContact O-N 2.88Å; K305-F308 PolarHBondContact O-N 2.95Å; K305-T309 PolarHBondContact O-N 2.97Å; K305-T309 PolarHBondContact O-OG1 3.36Å
306E62.7Low53.6Low124 Ų12482.9 Ų82.958%0.57943%0.43SS*.Hα-helixtrans-59.4-45.3175.4-73.5-178.1167.600111.5Q302 L304 T309 N310Q302-E306 WeakPolarHBondContact O-CG 3.46Å; Q302-E306 PolarHBondContact O-N 3.43Å; L304-E306 PolarHBondContact O-N 3.04Å; E306-T309 PolarHBondContact O-N 3.39Å; E306-N310 WeakPolarHBondContact O-CB 3.29Å; E306-N310 PolarHBondContact O-N 3.32Å; E306-N310 PolarHBondContact O-ND2 3.04Å
307K62.4Low53.9Low41 Ų4180.6 Ų80.618%0.17843%0.427CS..Hα-helixtrans-66.2-39.4-178.9-175.5168.2174.8173.20112.7Y132 Q133 Y303 L304 K305 N310 L311Y132-K307 WeakPolarHBondContact O-CE 3.5Å; Y132-K307 PolarHBondContact O-NZ 2.96Å; Q133-K307 PolarHBondContact O-NZ 3.34Å; Y303-K307 HydrophobicContact CE1-CD 4.13Å; Y303-K307 WeakPolarHBondContact O-CB 3.43Å; Y303-K307 PolarHBondContact O-N 2.98Å; L304-K307 PolarHBondContact O-N 3.48Å; K305-K307 VanDerWaalsContact C-N 3.34Å; K305-K307 PolarHBondContact O-N 2.88Å; K307-N310 PolarHBondContact O-N 3.48Å; K307-L311 HydrophobicContact CG-CD1 4.25Å; K307-L311 WeakPolarHBondContact O-CG 3.45Å; K307-L311 PolarHBondContact O-N 2.86Å
308F58.9Low54.2Low56 Ų5682.2 Ų82.225%0.24644%0.442CS..Hα-helixtrans-62.1-48.5170.7-82.2-65.1000111.7I152 F155 V156 L304 K305 N310 L311 T312I152-F308 HydrophobicContact CG2-CE2 4.38Å; F155-F308 HydrophobicContact CD1-CE1 4.26Å; F155-F308 HydrophobicContact CD1-CZ 4.02Å; F155-F308 HydrophobicContact CE1-CE1 4.35Å; F155-F308 HydrophobicContact CE1-CZ 4.46Å; V156-F308 HydrophobicContact CB-CZ 4.45Å; V156-F308 HydrophobicContact CG2-CE1 3.97Å; V156-F308 HydrophobicContact CG2-CE2 4.31Å; V156-F308 HydrophobicContact CG2-CZ 3.39Å; L304-F308 WeakPolarHBondContact O-CD2 3.23Å; L304-F308 PolarHBondContact O-N 3.1Å; K305-F308 PolarHBondContact O-N 2.95Å; F308-N310 PolarHBondContact O-N 3.11Å; F308-L311 PolarHBondContact O-N 2.95Å; F308-T312 PolarHBondContact O-N 2.85Å; F308-T312 PolarHBondContact O-OG1 3.2Å; F308-T312 VanDerWaalsContact O-OG1 3.13Å
309T61.8Low54.5Low74 Ų7484 Ų8445%0.45445%0.448SS..Hα-helixtrans-54.9-43177.5-45.40000110.8K305 E306 L313K305-T309 PolarHBondContact O-N 2.97Å; K305-T309 PolarHBondContact O-OG1 3.36Å; E306-T309 PolarHBondContact O-N 3.39Å; T309-L313 HydrophobicContact CG2-CD1 4.12Å; T309-L313 WeakPolarHBondContact O-CB 3.36Å; T309-L313 WeakPolarHBondContact O-CD1 3.35Å; T309-L313 VanDerWaalsContact O-CG 3.24Å; T309-L313 WeakPolarHBondContact O-CG 3.18Å; T309-L313 PolarHBondContact O-N 3.29Å
310N60.4Low54.1Low90 Ų9086 Ų8648%0.48145%0.454SS..Hα-helixtrans-69.7-33.4176.1-71.7-43.2000114E306 K307 F308 N314E306-N310 WeakPolarHBondContact O-CB 3.29Å; E306-N310 PolarHBondContact O-N 3.32Å; E306-N310 PolarHBondContact O-ND2 3.04Å; K307-N310 PolarHBondContact O-N 3.48Å; F308-N310 PolarHBondContact O-N 3.11Å; N310-N314 WeakPolarHBondContact O-CB 3.46Å; N310-N314 PolarHBondContact O-N 3.44Å; N310-N314 VanDerWaalsContact O-N 3.14Å; N310-N314 PolarHBondContact O-ND2 2.93Å
311L53.3Low53.6Low86 Ų8690.6 Ų90.645%0.4548%0.478SS..Hα-helixtrans-67.6-49174.4-77.5163.2000110.6K307 F308 L313 N314 E315K307-L311 HydrophobicContact CG-CD1 4.25Å; K307-L311 WeakPolarHBondContact O-CG 3.45Å; K307-L311 PolarHBondContact O-N 2.86Å; F308-L311 PolarHBondContact O-N 2.95Å; L311-L313 PolarHBondContact O-N 3.45Å; L311-N314 PolarHBondContact O-N 3.06Å; L311-E315 PolarHBondContact O-N 3.23Å
312T54.4Low53.1Low93 Ų9395.8 Ų95.857%0.57149%0.492SS*.Hα-helixtrans-62.3-41178.2-50.20000112F308 E315 S316F308-T312 PolarHBondContact O-N 2.85Å; F308-T312 PolarHBondContact O-OG1 3.2Å; F308-T312 VanDerWaalsContact O-OG1 3.13Å; T312-E315 PolarHBondContact O-N 3.41Å; T312-S316 WeakPolarHBondContact O-CB 3.35Å; T312-S316 PolarHBondContact O-N 3.36Å; T312-S316 PolarHBondContact O-OG 3.38Å; T312-S316 VanDerWaalsContact O-OG 3.04Å
313L52.9Low52.3Low99 Ų9997.4 Ų97.452%0.51850%0.504SS..Hα-helixtrans-62.3-42.2174.7-76.9167.6000112.4T309 L311 S316 S317T309-L313 HydrophobicContact CG2-CD1 4.12Å; T309-L313 WeakPolarHBondContact O-CB 3.36Å; T309-L313 WeakPolarHBondContact O-CD1 3.35Å; T309-L313 VanDerWaalsContact O-CG 3.24Å; T309-L313 WeakPolarHBondContact O-CG 3.18Å; T309-L313 PolarHBondContact O-N 3.29Å; L311-L313 PolarHBondContact O-N 3.45Å; L313-S316 WeakPolarHBondContact CA-OG 3.31Å; L313-S316 PolarHBondContact O-OG 3.05Å; L313-S317 WeakPolarHBondContact O-CB 3.33Å; L313-S317 PolarHBondContact O-N 2.97Å; L313-S317 PolarHBondContact O-OG 2.91Å
314N51.1Low51.1Low101 Ų101103.8 Ų103.854%0.5454%0.536SS..Hα-helixtrans-70.7-33.1178.6-76.1-50.8000113.6N310 L311 S317 L318N310-N314 WeakPolarHBondContact O-CB 3.46Å; N310-N314 PolarHBondContact O-N 3.44Å; N310-N314 VanDerWaalsContact O-N 3.14Å; N310-N314 PolarHBondContact O-ND2 2.93Å; L311-N314 PolarHBondContact O-N 3.06Å; N314-S317 PolarHBondContact O-OG 3.22Å; N314-S317 VanDerWaalsContact O-OG 3.08Å; N314-L318 PolarHBondContact O-N 2.93Å
315E50.8Low50Low134 Ų134106.9 Ų106.963%0.62657%0.571SS**Hα-helixtrans-77.2-36.2175.5-69.1-171.715300112.1L311 T312 L318 N319L311-E315 PolarHBondContact O-N 3.23Å; T312-E315 PolarHBondContact O-N 3.41Å; E315-L318 PolarHBondContact O-N 3.34Å; E315-N319 PolarHBondContact O-N 3.11Å
316S48.8Very low48.6Very low44 Ų44106.1 Ų106.131%0.30858%0.579SS.*Hα-helixtrans-66-35.8173.167.10000113.1T312 L313 L318 N319 N320T312-S316 WeakPolarHBondContact O-CB 3.35Å; T312-S316 PolarHBondContact O-N 3.36Å; T312-S316 PolarHBondContact O-OG 3.38Å; T312-S316 VanDerWaalsContact O-OG 3.04Å; L313-S316 WeakPolarHBondContact CA-OG 3.31Å; L313-S316 PolarHBondContact O-OG 3.05Å; S316-L318 VanDerWaalsContact C-N 3.28Å; S316-L318 PolarHBondContact O-N 3.02Å; S316-N319 PolarHBondContact O-N 3.47Å; S316-N320 VanDerWaalsContact O-CB 3.24Å; S316-N320 WeakPolarHBondContact O-CB 3.43Å; S316-N320 PolarHBondContact O-N 3.27Å; S316-N320 PolarHBondContact O-ND2 3.34Å
317S46.6Very low47.2Very low65 Ų65106.9 Ų106.946%0.45559%0.593SS.*Hα-helixtrans-72.7-19.3175.966.90000113.9L313 N314L313-S317 WeakPolarHBondContact O-CB 3.33Å; L313-S317 PolarHBondContact O-N 2.97Å; L313-S317 PolarHBondContact O-OG 2.91Å; N314-S317 PolarHBondContact O-OG 3.22Å; N314-S317 VanDerWaalsContact O-OG 3.08Å
318L45Very low45.8Very low128 Ų128110.4 Ų110.467%0.6762%0.62SS**Hα-helixtrans-84.1-38.4172.1-95.8153.3000112.6N314 E315 S316N314-L318 PolarHBondContact O-N 2.93Å; E315-L318 PolarHBondContact O-N 3.34Å; S316-L318 VanDerWaalsContact C-N 3.28Å; S316-L318 PolarHBondContact O-N 3.02Å
319N45.7Very low44.8Very low111 Ų111114 Ų11459%0.59465%0.646SS**Hα-helixtrans-81.4-28.3-180-71.7-10.7000113.8E315 S316 N321 E322E315-N319 PolarHBondContact O-N 3.11Å; S316-N319 PolarHBondContact O-N 3.47Å; N319-N321 PolarHBondContact O-N 3.01Å; N319-E322 PolarHBondContact O-N 3.06Å
320N42.4Very low43.6Very low112 Ų112117.7 Ų117.760%0.59966%0.663SS**THydrogen-bonded Turntrans-75.7-5.3-175.4-71.8-10.5000114.8S316S316-N320 VanDerWaalsContact O-CB 3.24Å; S316-N320 WeakPolarHBondContact O-CB 3.43Å; S316-N320 PolarHBondContact O-N 3.27Å; S316-N320 PolarHBondContact O-ND2 3.34Å
321N41.7Very low42.3Very low144 Ų144123.6 Ų123.677%0.7769%0.685SS**THydrogen-bonded Turntrans-96.1-3.4175.3-76.8-28.1000114.1N319N319-N321 PolarHBondContact O-N 3.01Å
322E40.7Very low41.8Very low168 Ų168126.7 Ų126.779%0.78570%0.697SS**SBendtrans-106.15.4177.9-78.5-168.7136.600114.2N319N319-E322 PolarHBondContact O-N 3.06Å
323L39.2Very low41Very low160 Ų160129.5 Ų129.584%0.83870%0.703SS**SBendtrans-128.925.2-176.4-108.899.5000116.4
324Q35.6Very low40.3Very low183 Ų183130.1 Ų130.186%0.85571%0.711SS**SBendtrans-123.5118.9164.8-66.2-170.68.800110.4
325G33Very low39.7Very low77 Ų77133 Ų13379%0.79473%0.727SS**  trans137.819.1166.100000119.7
326T32.6Very low39.1Very low138 Ų138135.6 Ų135.685%0.84774%0.739SS**  trans-13782.817645.50000114.8
327T33.3Very low38.7Very low141 Ų141140.8 Ų140.887%0.86576%0.761SS**  trans-151.3150.9155.317.60000109.1
328P34.6Very low38.5Very low115 Ų115142.4 Ų142.475%0.74777%0.773SS**  -132.4141.9-125.336.9-20.3000115.9
329T37.9Very low38.3Very low131 Ų131140.3 Ų140.380%0.80477%0.769SS**  trans-149.7121.7166.445.50000114
330N36.9Very low38.2Very low152 Ų152142.1 Ų142.181%0.81378%0.779SS**  trans43.8100.1142.9-58.7-17.1000119.7
331F33.2Very low38.3Very low213 Ų213146.4 Ų146.493%0.93479%0.788SS**  trans-76.3126.1151.3-91.3-92.5000110.3
332H41.4Very low38.4Very low152 Ų152146.4 Ų146.470%0.70479%0.788SS**  trans-141.4128.8167-128.3-69.1000108.8
333H38.8Very low38.9Very low152 Ų152146 Ų14670%0.70479%0.791SS**  trans63.8145.8174.6-57.1-73.8000116
334T36.8Very low39.7Very low112 Ų112143.8 Ų143.869%0.68779%0.789SS**  cis-159.6129.8-109.40000107.7
335N38.6Very low40.6Very low161 Ų161138.4 Ų138.486%0.86178%0.783SS**  trans-104107.2160.8-87.7-13.1000108.4
336Q39.1Very low41.4Very low189 Ų189147.6 Ų147.688%0.88381%0.805SS**  trans-87120.5161.8-80.7-176.9-28.500108.5
337I40.9Very low41.9Very low153 Ų153148.1 Ų148.179%0.78580%0.803SS**  trans-134.8129.7167.3-73.8-178.8000108.4
338S40.8Very low42.3Very low99 Ų99148.4 Ų148.469%0.69280%0.8SS**  trans76.1116.2158.9-148.20000120.5
339S41.9Very low42.7Very low84 Ų84150.3 Ų150.359%0.58780%0.802SS**  64.1105.1126.6700000120.5
340D43.7Very low43Very low149 Ų149151.4 Ų151.480%0.79780%0.802SS**  77.3127.5110.3-68.1-11.1000122.6
341Y44.7Very low43.4Very low202 Ų202151.4 Ų151.479%0.79280%0.802SS**  trans93.7124.3146.8-94.9-112.1000120.9
342N43.2Very low44.1Very low144 Ų144147.3 Ų147.377%0.7779%0.793SS**  trans66.1102.6159.3-59.3-15.2000118.7
343D52.2Low44.3Very low158 Ų158146.9 Ų146.985%0.84580%0.799SS**  -153.8140.3102-153.7-7.7000111.6
344S55.7Low44.7Very low114 Ų114146.5 Ų146.580%0.79781%0.807SS**  trans-157.981.916466.30000108.7E346S344-E346 PolarHBondContact O-N 2.86Å
345G54.2Low45.4Very low71 Ų71149.4 Ų149.473%0.73282%0.817SS**  trans-80.894.5165.400000111.5
346E49.7Very low46Very low269 Ų269148.4 Ų148.4100%1.25781%0.813SS**  trans-166.90135.6-106.9-174.4172.200110.5S344S344-E346 PolarHBondContact O-N 2.86Å

Retrieved 346 of 346 residues in 144.3 ms (Link to these results)