A0A3Q0KGQ8_SCHMA Loading...

Tetraspanin

AlphaFold DB , UniProt , Accession A0A3Q0KGQ8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 211 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M56Low64.7Low197 Ų197108.4 Ų108.497%0.9758%0.578SS**  0-52.90-75.5-176.970.600113V3 L4 A5M1-V3 VanDerWaalsContact C-N 3.34Å; M1-V3 PolarHBondContact O-N 3.33Å; M1-L4 WeakPolarHBondContact O-CB 3.41Å; M1-L4 PolarHBondContact O-N 3.16Å; M1-L4 VanDerWaalsContact O-N 3.09Å; M1-A5 PolarHBondContact O-N 3.25Å
2I64.9Low65Low149 Ų149112.3 Ų112.376%0.76459%0.586SS**Hα-helixtrans-58.1-43.1-179.3-61.2171.6000112.3L4 A5 A6I2-L4 VanDerWaalsContact C-N 3.32Å; I2-L4 PolarHBondContact O-N 3.25Å; I2-A5 PolarHBondContact O-N 3.19Å; I2-A6 WeakPolarHBondContact O-CB 3.43Å; I2-A6 PolarHBondContact O-N 3.27Å
3V69.1Low64.8Low119 Ų119107.2 Ų107.272%0.72157%0.567SS**Hα-helixtrans-63.2-38.1176.5-178.90000112M1 A6 A7M1-V3 VanDerWaalsContact C-N 3.34Å; M1-V3 PolarHBondContact O-N 3.33Å; V3-A6 PolarHBondContact O-N 3.03Å; V3-A7 VanDerWaalsContact O-CB 3.28Å; V3-A7 WeakPolarHBondContact O-CB 3.41Å; V3-A7 PolarHBondContact O-N 3.23Å
4L59Low64.5Low87 Ų87104.5 Ų104.546%0.45556%0.556SS.*Hα-helixtrans-70.7-40.1176.4-64.9173.8000111.5M1 I2 A6 A7 L8M1-L4 WeakPolarHBondContact O-CB 3.41Å; M1-L4 PolarHBondContact O-N 3.16Å; M1-L4 VanDerWaalsContact O-N 3.09Å; I2-L4 VanDerWaalsContact C-N 3.32Å; I2-L4 PolarHBondContact O-N 3.25Å; L4-A6 VanDerWaalsContact C-N 3.33Å; L4-A7 PolarHBondContact O-N 3.09Å; L4-L8 VanDerWaalsContact O-CB 3.23Å; L4-L8 WeakPolarHBondContact O-CB 3.48Å; L4-L8 WeakPolarHBondContact O-CG 3.37Å; L4-L8 PolarHBondContact O-N 3.29Å
5A66.4Low64.1Low57 Ų57103.6 Ų103.647%0.47155%0.546SS..Hα-helixtrans-65.7-38.1174.500000111.1M1 I2 Y9M1-A5 PolarHBondContact O-N 3.25Å; I2-A5 PolarHBondContact O-N 3.19Å; A5-Y9 WeakPolarHBondContact O-CA 3.36Å; A5-Y9 WeakPolarHBondContact O-CB 3.12Å; A5-Y9 PolarHBondContact O-N 3.41Å
6A63.4Low63.3Low53 Ų53100.8 Ų100.844%0.43855%0.55SS..Hα-helixtrans-69.2-40.6174.500000111.7I2 V3 L4 Y9 F10I2-A6 WeakPolarHBondContact O-CB 3.43Å; I2-A6 PolarHBondContact O-N 3.27Å; V3-A6 PolarHBondContact O-N 3.03Å; L4-A6 VanDerWaalsContact C-N 3.33Å; A6-Y9 PolarHBondContact O-N 3.44Å; A6-F10 WeakPolarHBondContact O-CB 3.3Å; A6-F10 PolarHBondContact O-N 3.49Å
7A66.8Low62.4Low56 Ų56102.4 Ų102.446%0.46356%0.563SS.*Hα-helixtrans-64.9-46.2174.500000111.2V3 L4 F10 Y11V3-A7 VanDerWaalsContact O-CB 3.28Å; V3-A7 WeakPolarHBondContact O-CB 3.41Å; V3-A7 PolarHBondContact O-N 3.23Å; L4-A7 PolarHBondContact O-N 3.09Å; A7-F10 PolarHBondContact O-N 3.43Å; A7-Y11 WeakPolarHBondContact O-CB 3.24Å; A7-Y11 PolarHBondContact O-N 3.33Å
8L66.2Low61.5Low115 Ų115105.9 Ų105.960%0.60257%0.567SS**Hα-helixtrans-66.5-38.9175.1-72.9170.4000112L4 Y11 F12L4-L8 VanDerWaalsContact O-CB 3.23Å; L4-L8 WeakPolarHBondContact O-CB 3.48Å; L4-L8 WeakPolarHBondContact O-CG 3.37Å; L4-L8 PolarHBondContact O-N 3.29Å; L8-Y11 CarbonylContact O-C 3.46Å; L8-Y11 PolarHBondContact O-N 3.1Å; L8-F12 WeakPolarHBondContact O-CB 3.5Å; L8-F12 PolarHBondContact O-N 3.33Å
9Y71Confident60.6Low172 Ų172103.9 Ų103.968%0.67557%0.573SS**Hα-helixtrans-69.2-40.9176.4177.7-97.5000110.9A5 A6 F12 S13A5-Y9 WeakPolarHBondContact O-CA 3.36Å; A5-Y9 WeakPolarHBondContact O-CB 3.12Å; A5-Y9 PolarHBondContact O-N 3.41Å; A6-Y9 PolarHBondContact O-N 3.44Å; Y9-F12 PolarHBondContact O-N 3.02Å; Y9-S13 WeakPolarHBondContact O-CA 3.21Å; Y9-S13 WeakPolarHBondContact O-CB 3.47Å; Y9-S13 PolarHBondContact O-N 3.11Å; Y9-S13 PolarHBondContact O-OG 3.23Å
10F66.3Low59.9Low137 Ų137104.4 Ų104.460%0.60158%0.579SS**Hα-helixtrans-65.9-41.6172.8-167.6-96.7000110.7A6 A7 F12 S13 T14A6-F10 WeakPolarHBondContact O-CB 3.3Å; A6-F10 PolarHBondContact O-N 3.49Å; A7-F10 PolarHBondContact O-N 3.43Å; F10-F12 VanDerWaalsContact C-N 3.29Å; F10-F12 PolarHBondContact O-N 3.44Å; F10-S13 WeakPolarHBondContact CA-OG 3.47Å; F10-S13 PolarHBondContact O-N 3.44Å; F10-S13 PolarHBondContact O-OG 3.49Å; F10-T14 HydrophobicContact CD1-CG2 4.16Å; F10-T14 HydrophobicContact CE1-CG2 3.84Å; F10-T14 HydrophobicContact CE2-CG2 4.28Å; F10-T14 HydrophobicContact CZ-CG2 3.91Å; F10-T14 WeakPolarHBondContact O-CB 3.3Å; F10-T14 WeakPolarHBondContact O-CG2 3.28Å; F10-T14 PolarHBondContact O-N 3.03Å; F10-T14 PolarHBondContact O-OG1 3.05Å
11Y62.1Low59.5Low50 Ų50104.5 Ų104.520%0.19658%0.579CS.*Hα-helixtrans-66.1-24.6172.2-178.9-93.3000113.4A7 L8 F15 Y30 L33 A34A7-Y11 WeakPolarHBondContact O-CB 3.24Å; A7-Y11 PolarHBondContact O-N 3.33Å; L8-Y11 CarbonylContact O-C 3.46Å; L8-Y11 PolarHBondContact O-N 3.1Å; Y11-F15 HydrophobicContact CD2-CE2 4.04Å; Y11-F15 HydrophobicContact CE2-CE2 4.25Å; Y11-F15 HydrophobicContact CE2-CZ 4.49Å; Y11-F15 WeakPolarHBondContact O-CD2 3.42Å; Y11-F15 WeakPolarHBondContact O-CG 3.3Å; Y11-Y30 AromaticContact CE1-CE2 3.99Å; Y11-Y30 HydrophobicContact CE1-CE2 3.99Å; Y11-Y30 AromaticContact CZ-CE2 3.62Å; Y11-Y30 WeakPolarHBondContact OH-CD2 3.41Å; Y11-Y30 WeakPolarHBondContact OH-CE2 3.3Å; Y11-L33 HydrophobicContact CE2-CB 4.09Å; Y11-A34 WeakPolarHBondContact OH-CB 3.19Å
12F68.9Low59.4Low155 Ų15599 Ų9968%0.6855%0.551SS**Hα-helixtrans-93.2-35.2175.5-160.5-91.6000111.2L8 Y9 F10 F15 G16L8-F12 WeakPolarHBondContact O-CB 3.5Å; L8-F12 PolarHBondContact O-N 3.33Å; Y9-F12 PolarHBondContact O-N 3.02Å; F10-F12 VanDerWaalsContact C-N 3.29Å; F10-F12 PolarHBondContact O-N 3.44Å; F12-F15 PolarHBondContact O-N 3.13Å; F12-G16 WeakPolarHBondContact O-CA 3.31Å; F12-G16 PolarHBondContact O-N 3.42Å
13S61.8Low59Low47 Ų4798.6 Ų98.633%0.32955%0.545SS..Hα-helixtrans-77.9-35.3-177.2680000112.7Y9 F10 F15Y9-S13 WeakPolarHBondContact O-CA 3.21Å; Y9-S13 WeakPolarHBondContact O-CB 3.47Å; Y9-S13 PolarHBondContact O-N 3.11Å; Y9-S13 PolarHBondContact O-OG 3.23Å; F10-S13 WeakPolarHBondContact CA-OG 3.47Å; F10-S13 PolarHBondContact O-N 3.44Å; F10-S13 PolarHBondContact O-OG 3.49Å; S13-F15 VanDerWaalsContact C-N 3.25Å; S13-F15 PolarHBondContact O-N 2.94Å
14T61.6Low58.7Low69 Ų6999.5 Ų99.542%0.42355%0.546SS..THydrogen-bonded Turntrans-67-27.9170.248.30000112.3F10F10-T14 HydrophobicContact CD1-CG2 4.16Å; F10-T14 HydrophobicContact CE1-CG2 3.84Å; F10-T14 HydrophobicContact CE2-CG2 4.28Å; F10-T14 HydrophobicContact CZ-CG2 3.91Å; F10-T14 WeakPolarHBondContact O-CB 3.3Å; F10-T14 WeakPolarHBondContact O-CG2 3.28Å; F10-T14 PolarHBondContact O-N 3.03Å; F10-T14 PolarHBondContact O-OG1 3.05Å
15F57.9Low58.9Low91 Ų9199 Ų9940%0.39954%0.543SS..THydrogen-bonded Turntrans-98.5-29.2-175.1-73.2-97.3000114.3Y11 F12 S13 V17 Y30Y11-F15 HydrophobicContact CD2-CE2 4.04Å; Y11-F15 HydrophobicContact CE2-CE2 4.25Å; Y11-F15 HydrophobicContact CE2-CZ 4.49Å; Y11-F15 WeakPolarHBondContact O-CD2 3.42Å; Y11-F15 WeakPolarHBondContact O-CG 3.3Å; F12-F15 PolarHBondContact O-N 3.13Å; S13-F15 VanDerWaalsContact C-N 3.25Å; S13-F15 PolarHBondContact O-N 2.94Å; F15-V17 PolarHBondContact O-N 3.26Å; F15-V17 VanDerWaalsContact O-N 3.1Å; F15-Y30 AromaticContact CD1-CD2 3.97Å; F15-Y30 HydrophobicContact CD1-CD2 3.97Å; F15-Y30 AromaticContact CE1-CD2 3.7Å; F15-Y30 HydrophobicContact CE1-CD2 3.7Å; F15-Y30 HydrophobicContact CE1-CG 4.48Å; F15-Y30 HydrophobicContact CZ-CD2 4.26Å
16G50.8Low59Low59 Ų59100 Ų10061%0.60854%0.54SS*.THydrogen-bonded Turntrans-66.6-10-177.500000115F12F12-G16 WeakPolarHBondContact O-CA 3.31Å; F12-G16 PolarHBondContact O-N 3.42Å
17V48.4Very low59.4Low128 Ų12899.5 Ų99.578%0.77654%0.536SS*.THydrogen-bonded Turntrans-124.17.2-172.9-163.30000113.6F15F15-V17 PolarHBondContact O-N 3.26Å; F15-V17 VanDerWaalsContact O-N 3.1Å
18R46.2Very low59.6Low166 Ų166104.8 Ų104.863%0.62655%0.545SS*.  trans-132.248.6-179.6-126171.1-178.8149.6-3.1113.7T20 V109R18-T20 PolarHBondContact O-N 3.3Å; R18-V109 VanDerWaalsContact NH1-CG2 3.29Å
19G45.2Very low59.9Low67 Ų67102.2 Ų102.269%0.69154%0.535SS*.  trans-72.7114.6153.800000108.9
20T45.2Very low60Low114 Ų11499.2 Ų99.270%0.69952%0.523SS*.SBendtrans163.1120.1132.443.50000108.2R18R18-T20 PolarHBondContact O-N 3.3Å
21D52.5Low60.6Low107 Ų10798 Ų9857%0.57252%0.521SS*.SBendtrans82.348.8151.7-46.9-23.5000122.3H23D21-H23 IonicContact OD1-NE2 3.97Å
22Q53Low61.4Low80 Ų8098.3 Ų98.337%0.37453%0.528SS..  trans-157.594.7136-114.5-154.17.100111.9N24Q22-N24 PolarHBondContact O-N 3.23Å
23H57.1Low61.8Low141 Ų14194.8 Ų94.865%0.65352%0.516SS*.THydrogen-bonded Turntrans-77.3-15.3-158.8-61.4-65.1000116.9D21 A27D21-H23 IonicContact OD1-NE2 3.97Å; H23-A27 WeakPolarHBondContact O-CB 3.43Å
24N63.6Low62.7Low138 Ų13894.3 Ų94.374%0.73852%0.515SS*.THydrogen-bonded Turntrans-97.9-51.3-169-63.6-13.2000113.8Q22 Y28Q22-N24 PolarHBondContact O-N 3.23Å; N24-Y28 WeakPolarHBondContact O-CB 3.37Å; N24-Y28 PolarHBondContact O-N 3.44Å
25I63.6Low63.6Low76 Ų7693.8 Ų93.839%0.3952%0.517SS..Hα-helixtrans-71.9-40.9-176.9-63.5172.4000110.9Y28 T29I25-Y28 PolarHBondContact O-N 2.87Å; I25-T29 WeakPolarHBondContact O-CB 3.37Å; I25-T29 PolarHBondContact O-N 2.92Å; I25-T29 PolarHBondContact O-OG1 3.49Å
26L67.3Low64.7Low79 Ų7994.6 Ų94.641%0.41453%0.525SS..Hα-helixtrans-65.3-41.3176.9-62.4178.6000111.4T29 Y30L26-T29 PolarHBondContact O-N 3.41Å; L26-Y30 VanDerWaalsContact O-CB 3.23Å; L26-Y30 WeakPolarHBondContact O-CB 3.36Å; L26-Y30 PolarHBondContact O-N 2.91Å
27A71.5Confident66.1Low42 Ų4293.6 Ų93.635%0.34751%0.514SS..Hα-helixtrans-65.3-42.6175.700000112H23 Y30 I31H23-A27 WeakPolarHBondContact O-CB 3.43Å; A27-Y30 WeakPolarHBondContact O-CB 3.39Å; A27-Y30 PolarHBondContact O-N 2.96Å; A27-I31 VanDerWaalsContact O-CG1 3.27Å; A27-I31 WeakPolarHBondContact O-CG1 3.45Å; A27-I31 PolarHBondContact O-N 2.99Å
28Y71Confident67.8Low167 Ų16790.2 Ų90.266%0.65550%0.5SS*.Hα-helixtrans-60.4-50.5175.6178.8-100.4000111.6N24 I25 Y30 I31 V32N24-Y28 WeakPolarHBondContact O-CB 3.37Å; N24-Y28 PolarHBondContact O-N 3.44Å; I25-Y28 PolarHBondContact O-N 2.87Å; Y28-Y30 VanDerWaalsContact C-N 3.28Å; Y28-Y30 PolarHBondContact O-N 3.49Å; Y28-I31 PolarHBondContact O-N 3.43Å; Y28-V32 HydrophobicContact CD1-CG2 4.45Å; Y28-V32 HydrophobicContact CE1-CG2 4.02Å; Y28-V32 HydrophobicContact CE2-CG2 4.26Å; Y28-V32 WeakPolarHBondContact O-CG2 3.43Å; Y28-V32 PolarHBondContact O-N 2.91Å; Y28-V32 VanDerWaalsContact O-N 3.07Å
29T72.6Confident69.6Low62 Ų6287.6 Ų87.638%0.3850%0.498SS..Hα-helixtrans-56.9-45177.2-55.80000110.4I25 L26 V32 L33I25-T29 WeakPolarHBondContact O-CB 3.37Å; I25-T29 PolarHBondContact O-N 2.92Å; I25-T29 PolarHBondContact O-OG1 3.49Å; L26-T29 PolarHBondContact O-N 3.41Å; T29-V32 PolarHBondContact O-N 3.35Å; T29-L33 HydrophobicContact CG2-CD1 3.49Å; T29-L33 VanDerWaalsContact CG2-CD1 3.49Å; T29-L33 WeakPolarHBondContact O-CD1 3.22Å; T29-L33 PolarHBondContact O-N 3.33Å
30Y74.1Confident71.6Confident109 Ų10987.6 Ų87.643%0.42749%0.487SS..Hα-helixtrans-58.5-48.9175.8173.3-93.3000113.1Y11 F15 L26 A27 Y28 V32 L33 A34Y11-Y30 AromaticContact CE1-CE2 3.99Å; Y11-Y30 HydrophobicContact CE1-CE2 3.99Å; Y11-Y30 AromaticContact CZ-CE2 3.62Å; Y11-Y30 WeakPolarHBondContact OH-CD2 3.41Å; Y11-Y30 WeakPolarHBondContact OH-CE2 3.3Å; F15-Y30 AromaticContact CD1-CD2 3.97Å; F15-Y30 HydrophobicContact CD1-CD2 3.97Å; F15-Y30 AromaticContact CE1-CD2 3.7Å; F15-Y30 HydrophobicContact CE1-CD2 3.7Å; F15-Y30 HydrophobicContact CE1-CG 4.48Å; F15-Y30 HydrophobicContact CZ-CD2 4.26Å; L26-Y30 VanDerWaalsContact O-CB 3.23Å; L26-Y30 WeakPolarHBondContact O-CB 3.36Å; L26-Y30 PolarHBondContact O-N 2.91Å; A27-Y30 WeakPolarHBondContact O-CB 3.39Å; A27-Y30 PolarHBondContact O-N 2.96Å; Y28-Y30 VanDerWaalsContact C-N 3.28Å; Y28-Y30 PolarHBondContact O-N 3.49Å; Y30-V32 VanDerWaalsContact C-N 3.29Å; Y30-V32 PolarHBondContact O-N 2.89Å; Y30-L33 PolarHBondContact O-N 3.41Å; Y30-A34 VanDerWaalsContact O-CB 3.29Å; Y30-A34 WeakPolarHBondContact O-CB 3.36Å; Y30-A34 PolarHBondContact O-N 3.14Å
31I79.2Confident73.5Confident110 Ų11087.6 Ų87.656%0.56448%0.478SS*.Hα-helixtrans-60.1-41.7179.9-68.2164.1000110.5A27 Y28 A34 A35A27-I31 VanDerWaalsContact O-CG1 3.27Å; A27-I31 WeakPolarHBondContact O-CG1 3.45Å; A27-I31 PolarHBondContact O-N 2.99Å; Y28-I31 PolarHBondContact O-N 3.43Å; I31-A34 PolarHBondContact O-N 3.5Å; I31-A35 WeakPolarHBondContact O-CB 3.27Å; I31-A35 PolarHBondContact O-N 2.94Å
32V78.1Confident75.1Confident57 Ų5786.1 Ų86.135%0.34547%0.472SS..Hα-helixtrans-65.3-48.2178.2174.90000111.2Y28 T29 Y30 A34 A35 I36Y28-V32 HydrophobicContact CD1-CG2 4.45Å; Y28-V32 HydrophobicContact CE1-CG2 4.02Å; Y28-V32 HydrophobicContact CE2-CG2 4.26Å; Y28-V32 WeakPolarHBondContact O-CG2 3.43Å; Y28-V32 PolarHBondContact O-N 2.91Å; Y28-V32 VanDerWaalsContact O-N 3.07Å; T29-V32 PolarHBondContact O-N 3.35Å; Y30-V32 VanDerWaalsContact C-N 3.29Å; Y30-V32 PolarHBondContact O-N 2.89Å; V32-A34 PolarHBondContact O-N 3.36Å; V32-A35 PolarHBondContact O-N 3.34Å; V32-I36 HydrophobicContact CG1-CD1 3.89Å; V32-I36 WeakPolarHBondContact O-CG1 3.34Å; V32-I36 PolarHBondContact O-N 3.29Å
33L77.9Confident76.7Confident82 Ų8284.3 Ų84.343%0.42947%0.465SS..Hα-helixtrans-61.8-42.3176.6-87.6104.6000112.2Y11 T29 Y30 A35 I36 G37Y11-L33 HydrophobicContact CE2-CB 4.09Å; T29-L33 HydrophobicContact CG2-CD1 3.49Å; T29-L33 VanDerWaalsContact CG2-CD1 3.49Å; T29-L33 WeakPolarHBondContact O-CD1 3.22Å; T29-L33 PolarHBondContact O-N 3.33Å; Y30-L33 PolarHBondContact O-N 3.41Å; L33-A35 VanDerWaalsContact C-N 3.32Å; L33-A35 PolarHBondContact O-N 3.34Å; L33-I36 PolarHBondContact O-N 2.98Å; L33-G37 PolarHBondContact O-N 3.12Å
34A80.1Confident78.3Confident36 Ų3679.7 Ų79.730%0.29846%0.456SS..Hα-helixtrans-59.6-43.7176.800000111.5Y11 Y30 I31 V32 G37 A38Y11-A34 WeakPolarHBondContact OH-CB 3.19Å; Y30-A34 VanDerWaalsContact O-CB 3.29Å; Y30-A34 WeakPolarHBondContact O-CB 3.36Å; Y30-A34 PolarHBondContact O-N 3.14Å; I31-A34 PolarHBondContact O-N 3.5Å; V32-A34 PolarHBondContact O-N 3.36Å; A34-G37 PolarHBondContact O-N 2.88Å; A34-A38 WeakPolarHBondContact O-CB 3.44Å; A34-A38 PolarHBondContact O-N 3.4Å
35A80Confident79.4Confident58 Ų5876.8 Ų76.848%0.47944%0.439SS..Hα-helixtrans-64.2-44.8178.800000112.1I31 V32 L33 A38 L39I31-A35 WeakPolarHBondContact O-CB 3.27Å; I31-A35 PolarHBondContact O-N 2.94Å; V32-A35 PolarHBondContact O-N 3.34Å; L33-A35 VanDerWaalsContact C-N 3.32Å; L33-A35 PolarHBondContact O-N 3.34Å; A35-A38 PolarHBondContact O-N 3.01Å; A35-L39 WeakPolarHBondContact O-CB 3.5Å; A35-L39 PolarHBondContact O-N 3.36Å
36I81.6Confident80.5Confident109 Ų10974.7 Ų74.756%0.55943%0.428SS*.Hα-helixtrans-62.6-43.6176.7-64.5165.7000110.7V32 L33 L39 S40V32-I36 HydrophobicContact CG1-CD1 3.89Å; V32-I36 WeakPolarHBondContact O-CG1 3.34Å; V32-I36 PolarHBondContact O-N 3.29Å; L33-I36 PolarHBondContact O-N 2.98Å; I36-L39 PolarHBondContact O-N 3.44Å; I36-S40 WeakPolarHBondContact O-CB 3.46Å; I36-S40 PolarHBondContact O-N 3.48Å; I36-S40 PolarHBondContact O-OG 3.47Å
37G80.3Confident81.4Confident37 Ų3771.9 Ų71.938%0.38142%0.419SS..Hα-helixtrans-63.5-44.6177.100000112.9L33 A34 S40 F41L33-G37 PolarHBondContact O-N 3.12Å; A34-G37 PolarHBondContact O-N 2.88Å; G37-S40 WeakPolarHBondContact CA-OG 3.22Å; G37-S40 PolarHBondContact O-OG 3.3Å; G37-F41 WeakPolarHBondContact O-CB 3.32Å; G37-F41 PolarHBondContact O-N 3.24Å
38A84.4Confident82.1Confident58 Ų5874.2 Ų74.248%0.47943%0.432SS..Hα-helixtrans-65.2-42.5177.500000112A34 A35 F41 V42A34-A38 WeakPolarHBondContact O-CB 3.44Å; A34-A38 PolarHBondContact O-N 3.4Å; A35-A38 PolarHBondContact O-N 3.01Å; A38-F41 WeakPolarHBondContact O-CB 3.19Å; A38-F41 PolarHBondContact O-N 2.99Å; A38-V42 WeakPolarHBondContact O-CG2 3.44Å; A38-V42 PolarHBondContact O-N 3.49Å
39L83.9Confident82.8Confident110 Ų11069 Ų6958%0.57642%0.419SS*.Hα-helixtrans-62.9-47.4178.2-177.363.3000111.5A35 I36 F41 V42 L43A35-L39 WeakPolarHBondContact O-CB 3.5Å; A35-L39 PolarHBondContact O-N 3.36Å; I36-L39 PolarHBondContact O-N 3.44Å; L39-F41 VanDerWaalsContact C-N 3.28Å; L39-F41 PolarHBondContact O-N 2.95Å; L39-V42 PolarHBondContact O-N 3.47Å; L39-L43 HydrophobicContact CG-CD1 4.35Å; L39-L43 VanDerWaalsContact O-CG 3.32Å; L39-L43 WeakPolarHBondContact O-CG 3.29Å; L39-L43 PolarHBondContact O-N 3.36Å
40S86.3Confident83.2Confident67 Ų6766.2 Ų66.247%0.46940%0.402SS..Hα-helixtrans-62.3-35.2176.855.10000112.6I36 G37 G44I36-S40 WeakPolarHBondContact O-CB 3.46Å; I36-S40 PolarHBondContact O-N 3.48Å; I36-S40 PolarHBondContact O-OG 3.47Å; G37-S40 WeakPolarHBondContact CA-OG 3.22Å; G37-S40 PolarHBondContact O-OG 3.3Å; S40-G44 PolarHBondContact O-N 2.98Å
41F85.4Confident83.6Confident115 Ų11563.7 Ų63.750%0.50440%0.401SS..Hα-helixtrans-64.4-46.1173-178.4-107.2000112.5G37 A38 L39 G44 I45G37-F41 WeakPolarHBondContact O-CB 3.32Å; G37-F41 PolarHBondContact O-N 3.24Å; A38-F41 WeakPolarHBondContact O-CB 3.19Å; A38-F41 PolarHBondContact O-N 2.99Å; L39-F41 VanDerWaalsContact C-N 3.28Å; L39-F41 PolarHBondContact O-N 2.95Å; F41-G44 PolarHBondContact O-N 2.89Å; F41-I45 HydrophobicContact CD1-CD1 3.9Å; F41-I45 HydrophobicContact CE1-CD1 3.26Å; F41-I45 HydrophobicContact CE1-CG1 4.26Å; F41-I45 HydrophobicContact CE2-CD1 4.15Å; F41-I45 HydrophobicContact CE2-CG1 4.45Å; F41-I45 HydrophobicContact CZ-CD1 3.42Å; F41-I45 VanDerWaalsContact CZ-CD1 3.42Å; F41-I45 HydrophobicContact CZ-CG1 4.19Å; F41-I45 PolarHBondContact O-N 2.85Å
42V85.8Confident83.7Confident75 Ų7567.7 Ų67.746%0.45541%0.41SS..Hα-helixtrans-61.2-46.3176.2172.10000110.5A38 L39 G44 I45 L46A38-V42 WeakPolarHBondContact O-CG2 3.44Å; A38-V42 PolarHBondContact O-N 3.49Å; L39-V42 PolarHBondContact O-N 3.47Å; V42-G44 VanDerWaalsContact C-N 3.28Å; V42-G44 PolarHBondContact O-N 3.44Å; V42-I45 PolarHBondContact O-N 2.87Å; V42-L46 HydrophobicContact CG1-CD1 3.87Å; V42-L46 HydrophobicContact CG1-CG 4.24Å; V42-L46 WeakPolarHBondContact O-CB 3.26Å; V42-L46 WeakPolarHBondContact O-CG 3.45Å; V42-L46 PolarHBondContact O-N 3.31Å
43L87.9Confident83.8Confident43 Ų4371.6 Ų71.623%0.22542%0.424CS..Hα-helixtrans-58.6-39.7175.3-67.3176000112.1L39 L46 G47 L65L39-L43 HydrophobicContact CG-CD1 4.35Å; L39-L43 VanDerWaalsContact O-CG 3.32Å; L39-L43 WeakPolarHBondContact O-CG 3.29Å; L39-L43 PolarHBondContact O-N 3.36Å; L43-L46 PolarHBondContact O-N 2.89Å; L43-G47 PolarHBondContact O-N 2.89Å; L43-L65 HydrophobicContact CD2-CD1 3.55Å
44G89Confident83.6Confident44 Ų4473 Ų7345%0.45443%0.425SS..Hα-helixtrans-65.2-43.8176.200000113.3S40 F41 V42 G47 C48S40-G44 PolarHBondContact O-N 2.98Å; F41-G44 PolarHBondContact O-N 2.89Å; V42-G44 VanDerWaalsContact C-N 3.28Å; V42-G44 PolarHBondContact O-N 3.44Å; G44-G47 PolarHBondContact O-N 3.47Å; G44-C48 VanDerWaalsContact O-CB 3.29Å; G44-C48 WeakPolarHBondContact O-CB 3.44Å; G44-C48 PolarHBondContact O-N 2.99Å
45I87.1Confident83.6Confident76 Ų7673.2 Ų73.239%0.3942%0.424SS..Hα-helixtrans-63.9-44.9173.8-70.6179.1000110.3F41 V42 G47 C48 C49F41-I45 HydrophobicContact CD1-CD1 3.9Å; F41-I45 HydrophobicContact CE1-CD1 3.26Å; F41-I45 HydrophobicContact CE1-CG1 4.26Å; F41-I45 HydrophobicContact CE2-CD1 4.15Å; F41-I45 HydrophobicContact CE2-CG1 4.45Å; F41-I45 HydrophobicContact CZ-CD1 3.42Å; F41-I45 VanDerWaalsContact CZ-CD1 3.42Å; F41-I45 HydrophobicContact CZ-CG1 4.19Å; F41-I45 PolarHBondContact O-N 2.85Å; V42-I45 PolarHBondContact O-N 2.87Å; I45-G47 VanDerWaalsContact C-N 3.32Å; I45-G47 PolarHBondContact O-N 3.15Å; I45-C48 PolarHBondContact O-N 3.3Å; I45-C49 WeakPolarHBondContact O-CB 3.5Å; I45-C49 PolarHBondContact O-N 3.03Å; I45-C49 PolarHBondContact O-SG 3.02Å; I45-C49 VanDerWaalsContact O-SG 3.4Å
46L86.3Confident83.6Confident32 Ų3276.1 Ų76.117%0.16842%0.423CS..Hα-helixtrans-60-42.4177.9-69.5172.6000111.7V42 L43 G50 L58 F61 L65V42-L46 HydrophobicContact CG1-CD1 3.87Å; V42-L46 HydrophobicContact CG1-CG 4.24Å; V42-L46 WeakPolarHBondContact O-CB 3.26Å; V42-L46 WeakPolarHBondContact O-CG 3.45Å; V42-L46 PolarHBondContact O-N 3.31Å; L43-L46 PolarHBondContact O-N 2.89Å; L46-G50 VanDerWaalsContact O-CA 3.27Å; L46-G50 WeakPolarHBondContact O-CA 3.32Å; L46-G50 PolarHBondContact O-N 3.01Å; L46-L58 HydrophobicContact CD2-CD1 3.52Å; L46-L58 HydrophobicContact CD2-CG 4.41Å; L46-F61 HydrophobicContact CD1-CD1 4Å; L46-F61 HydrophobicContact CD1-CE1 3.77Å; L46-L65 HydrophobicContact CD1-CD1 4.42Å
47G86.7Confident83.7Confident21 Ų2176 Ų7622%0.21643%0.43CS..Hα-helixtrans-64.6-47.3174.400000112.7L43 G44 I45 G50 S51L43-G47 PolarHBondContact O-N 2.89Å; G44-G47 PolarHBondContact O-N 3.47Å; I45-G47 VanDerWaalsContact C-N 3.32Å; I45-G47 PolarHBondContact O-N 3.15Å; G47-G50 PolarHBondContact O-N 3.28Å; G47-S51 PolarHBondContact O-N 3.41Å
48C86.6Confident84Confident90 Ų9076.4 Ų76.461%0.60842%0.423SS*.Hα-helixtrans-66-53-179.9-173.60000112.3G44 I45 G50 S51 Y52G44-C48 VanDerWaalsContact O-CB 3.29Å; G44-C48 WeakPolarHBondContact O-CB 3.44Å; G44-C48 PolarHBondContact O-N 2.99Å; I45-C48 PolarHBondContact O-N 3.3Å; C48-G50 VanDerWaalsContact C-N 3.28Å; C48-G50 PolarHBondContact O-N 3.47Å; C48-S51 PolarHBondContact O-N 2.93Å; C48-Y52 WeakPolarHBondContact O-CB 3.08Å; C48-Y52 PolarHBondContact O-N 3.32Å
49C85.2Confident84.1Confident58 Ų5874 Ų7439%0.39240%0.402SS..Hα-helixtrans-64.1-33.2175.9-66.70000111.9I45 Y52 H53 L58I45-C49 WeakPolarHBondContact O-CB 3.5Å; I45-C49 PolarHBondContact O-N 3.03Å; I45-C49 PolarHBondContact O-SG 3.02Å; I45-C49 VanDerWaalsContact O-SG 3.4Å; C49-Y52 PolarHBondContact O-N 3.4Å; C49-H53 VanDerWaalsContact O-CB 3.31Å; C49-H53 WeakPolarHBondContact O-CB 3.45Å; C49-H53 PolarHBondContact O-N 2.81Å; C49-L58 HydrophobicContact CB-CD2 3.77Å
50G81.6Confident84.3Confident3 Ų370.4 Ų70.43%0.03139%0.392CS..Hα-helixtrans-60.9-45.8174.300000111.9L46 G47 C48 L58L46-G50 VanDerWaalsContact O-CA 3.27Å; L46-G50 WeakPolarHBondContact O-CA 3.32Å; L46-G50 PolarHBondContact O-N 3.01Å; G47-G50 PolarHBondContact O-N 3.28Å; C48-G50 VanDerWaalsContact C-N 3.28Å; C48-G50 PolarHBondContact O-N 3.47Å; G50-L58 VanDerWaalsContact N-CD2 3.29Å
51S81.3Confident84.4Confident56 Ų5672.3 Ų72.339%0.39239%0.392SS..Hα-helixtrans-69.4-37.3174.4-171.90000112.6G47 C48G47-S51 PolarHBondContact O-N 3.41Å; C48-S51 PolarHBondContact O-N 2.93Å
52Y83.1Confident84.7Confident195 Ų19569.6 Ų69.677%0.76538%0.379SS*.Hα-helixtrans-75.4-45.7-175.9-175.7-99000112.9C48 C49 Y54C48-Y52 WeakPolarHBondContact O-CB 3.08Å; C48-Y52 PolarHBondContact O-N 3.32Å; C49-Y52 PolarHBondContact O-N 3.4Å; Y52-Y54 VanDerWaalsContact C-N 3.3Å; Y52-Y54 WeakPolarHBondContact O-CD2 3.39Å; Y52-Y54 PolarHBondContact O-N 2.85Å
53H78.8Confident85Confident138 Ų13868.3 Ų68.364%0.63937%0.367SS*.SBendtrans-84-2.5-172.2-160-76.3000113.2C49 S55C49-H53 VanDerWaalsContact O-CB 3.31Å; C49-H53 WeakPolarHBondContact O-CB 3.45Å; C49-H53 PolarHBondContact O-N 2.81Å; H53-S55 PolarHBondContact O-N 2.75Å
54Y74.3Confident85.2Confident112 Ų11268.5 Ų68.544%0.43938%0.375SS..  trans47.626.3-174.7-71.3-96.8000112.8Y52 R56 V196Y52-Y54 VanDerWaalsContact C-N 3.3Å; Y52-Y54 WeakPolarHBondContact O-CD2 3.39Å; Y52-Y54 PolarHBondContact O-N 2.85Å; Y54-R56 PolarHBondContact O-N 3.37Å; Y54-V196 HydrophobicContact CD1-CG2 3.57Å; Y54-V196 HydrophobicContact CE1-CG2 4.5Å; Y54-V196 HydrophobicContact CG-CG2 4.25Å; Y54-V196 WeakPolarHBondContact O-CG1 3.38Å
55S79.2Confident85.4Confident41 Ų4168.8 Ų68.829%0.28737%0.366SS..  trans-81.9113-176.2177.60000109.5H53 C57 L58 L59H53-S55 PolarHBondContact O-N 2.75Å; S55-C57 PolarHBondContact O-N 2.87Å; S55-L58 PolarHBondContact O-N 2.9Å; S55-L58 VanDerWaalsContact O-N 3.14Å; S55-L59 PolarHBondContact O-N 3.29Å; S55-L59 VanDerWaalsContact O-N 3.12Å
56R80.1Confident85.6Confident119 Ų11966.1 Ų66.145%0.44935%0.352SS..Hα-helixtrans-53.7-40.3-179.7-63.7-178.9-172.9-159.3-1.4112.1Y54 G60 V196 N197Y54-R56 PolarHBondContact O-N 3.37Å; R56-G60 PolarHBondContact O-N 3.34Å; R56-V196 HydrophobicContact CG-CG1 3.44Å; R56-V196 VanDerWaalsContact CG-CG1 3.44Å; R56-V196 PolarHBondContact NH2-O 3.48Å; R56-N197 PolarHBondContact NH1-OD1 3.14Å; R56-N197 PolarHBondContact NH2-O 3.41Å
57C83.6Confident86Confident106 Ų10668 Ų6872%0.71636%0.362SS*.Hα-helixtrans-66.1-42.4-179.5-59.70000112.4S55 G60 F61S55-C57 PolarHBondContact O-N 2.87Å; C57-G60 PolarHBondContact O-N 3.19Å; C57-F61 WeakPolarHBondContact O-CB 3.15Å; C57-F61 PolarHBondContact O-N 3.45Å
58L86.3Confident86.4Confident45 Ų4570.9 Ų70.924%0.23638%0.375CS..Hα-helixtrans-69.7-41.1-178-162.368.9000111.3L46 C49 G50 S55 F61 Y62L46-L58 HydrophobicContact CD2-CD1 3.52Å; L46-L58 HydrophobicContact CD2-CG 4.41Å; C49-L58 HydrophobicContact CB-CD2 3.77Å; G50-L58 VanDerWaalsContact N-CD2 3.29Å; S55-L58 PolarHBondContact O-N 2.9Å; S55-L58 VanDerWaalsContact O-N 3.14Å; L58-F61 PolarHBondContact O-N 3.49Å; L58-Y62 PolarHBondContact O-N 2.82Å
59L87Confident86.7Confident8 Ų869.6 Ų69.64%0.04236%0.362CS..Hα-helixtrans-68.6-39.2177-170.564.5000112S55 Y62 F63 A189 L192 C193S55-L59 PolarHBondContact O-N 3.29Å; S55-L59 VanDerWaalsContact O-N 3.12Å; L59-Y62 PolarHBondContact O-N 3.5Å; L59-F63 WeakPolarHBondContact O-CB 3.36Å; L59-F63 PolarHBondContact O-N 2.83Å; L59-A189 HydrophobicContact CD1-CB 4.29Å; L59-L192 HydrophobicContact CD1-CB 4.4Å; L59-L192 HydrophobicContact CD2-CB 3.69Å; L59-C193 VanDerWaalsContact CD2-CA 3.49Å; L59-C193 HydrophobicContact CD2-CB 3.73Å; L59-C193 VanDerWaalsContact CD2-N 3.29Å
60G88.1Confident87Confident34 Ų3469.7 Ų69.735%0.35136%0.356SS..Hα-helixtrans-62.7-40.4173.700000112.5R56 C57 F63 A64R56-G60 PolarHBondContact O-N 3.34Å; C57-G60 PolarHBondContact O-N 3.19Å; G60-F63 PolarHBondContact O-N 3.01Å; G60-A64 WeakPolarHBondContact O-CB 3.48Å; G60-A64 PolarHBondContact O-N 3.27Å
61F89.3Confident87.7Confident107 Ų10772.3 Ų72.347%0.46938%0.377SS..Hα-helixtrans-63.9-44.9174.3-174.3-108.9000111.9L46 C57 L58 F63 A64 L65L46-F61 HydrophobicContact CD1-CD1 4Å; L46-F61 HydrophobicContact CD1-CE1 3.77Å; C57-F61 WeakPolarHBondContact O-CB 3.15Å; C57-F61 PolarHBondContact O-N 3.45Å; L58-F61 PolarHBondContact O-N 3.49Å; F61-F63 PolarHBondContact O-N 3.09Å; F61-A64 PolarHBondContact O-N 2.91Å; F61-L65 HydrophobicContact CD1-CD1 3.81Å; F61-L65 HydrophobicContact CD1-CG 4.41Å; F61-L65 HydrophobicContact CE1-CD1 3.38Å; F61-L65 HydrophobicContact CE1-CG 4.13Å; F61-L65 HydrophobicContact CE2-CG 4.49Å; F61-L65 HydrophobicContact CZ-CD1 3.79Å; F61-L65 HydrophobicContact CZ-CD2 4.27Å; F61-L65 HydrophobicContact CZ-CG 4.16Å; F61-L65 WeakPolarHBondContact O-CG 3.32Å; F61-L65 PolarHBondContact O-N 3.38Å
62Y90.8Very high88.2Confident59 Ų5974 Ų7423%0.23138%0.381CS..Hα-helixtrans-59.9-45.9174.9176.6-106.7000112.3L58 L59 A64 L65 L66 A189L58-Y62 PolarHBondContact O-N 2.82Å; L59-Y62 PolarHBondContact O-N 3.5Å; Y62-A64 PolarHBondContact O-N 3.38Å; Y62-L65 PolarHBondContact O-N 2.93Å; Y62-L66 HydrophobicContact CD1-CD1 4.14Å; Y62-L66 HydrophobicContact CE1-CD1 3.45Å; Y62-L66 VanDerWaalsContact CE1-CD1 3.45Å; Y62-L66 HydrophobicContact CE1-CG 4.17Å; Y62-L66 HydrophobicContact CE2-CD1 4.28Å; Y62-L66 HydrophobicContact CE2-CD2 4.4Å; Y62-L66 HydrophobicContact CE2-CG 4.2Å; Y62-L66 PolarHBondContact O-N 3.2Å; Y62-A189 HydrophobicContact CD1-CB 4.16Å; Y62-A189 HydrophobicContact CE1-CB 4.3Å
63F92.3Very high88.6Confident47 Ų4765.9 Ų65.921%0.20635%0.349CS..Hα-helixtrans-60.7-44.4176.2177.7-98000112.2L59 G60 F61 L65 L66 L67 L186 A189 M190L59-F63 WeakPolarHBondContact O-CB 3.36Å; L59-F63 PolarHBondContact O-N 2.83Å; G60-F63 PolarHBondContact O-N 3.01Å; F61-F63 PolarHBondContact O-N 3.09Å; F63-L65 PolarHBondContact O-N 3.07Å; F63-L66 PolarHBondContact O-N 2.98Å; F63-L67 HydrophobicContact CD1-CD1 3.94Å; F63-L67 HydrophobicContact CD1-CG 4.32Å; F63-L67 HydrophobicContact CE1-CD1 3.23Å; F63-L67 HydrophobicContact CE1-CG 3.87Å; F63-L67 HydrophobicContact CE2-CD1 4.5Å; F63-L67 HydrophobicContact CE2-CG 4.37Å; F63-L67 HydrophobicContact CZ-CD1 3.55Å; F63-L67 HydrophobicContact CZ-CD2 4.16Å; F63-L67 HydrophobicContact CZ-CG 3.86Å; F63-L67 PolarHBondContact O-N 2.92Å; F63-L186 HydrophobicContact CD2-CD2 3.53Å; F63-L186 HydrophobicContact CE2-CB 4.28Å; F63-L186 HydrophobicContact CE2-CD2 3.51Å; F63-L186 HydrophobicContact CE2-CG 4.49Å; F63-L186 HydrophobicContact CG-CD2 4.35Å; F63-L186 HydrophobicContact CZ-CD2 4.33Å; F63-A189 HydrophobicContact CB-CB 4.31Å; F63-A189 HydrophobicContact CD2-CB 4.08Å; F63-M190 HydrophobicContact CD2-CG 4.26Å; F63-M190 HydrophobicContact CD2-SD 4.32Å; F63-M190 HydrophobicContact CE1-CE 4.19Å; F63-M190 HydrophobicContact CE2-CE 3.7Å; F63-M190 HydrophobicContact CE2-CG 3.67Å; F63-M190 HydrophobicContact CE2-SD 3.75Å; F63-M190 HydrophobicContact CZ-CE 3.37Å; F63-M190 HydrophobicContact CZ-CG 4.35Å; F63-M190 HydrophobicContact CZ-SD 3.92Å
64A93.2Very high89.3Confident47 Ų4763.4 Ų63.439%0.38834%0.34SS..Hα-helixtrans-61.8-42.4176.600000112G60 F61 Y62 L67 V68G60-A64 WeakPolarHBondContact O-CB 3.48Å; G60-A64 PolarHBondContact O-N 3.27Å; F61-A64 PolarHBondContact O-N 2.91Å; Y62-A64 PolarHBondContact O-N 3.38Å; A64-L67 PolarHBondContact O-N 2.86Å; A64-V68 VanDerWaalsContact O-CG2 3.3Å; A64-V68 WeakPolarHBondContact O-CG2 3.33Å; A64-V68 PolarHBondContact O-N 3.02Å
65L92.2Very high90.1Very high50 Ų5060.9 Ų60.926%0.26234%0.342SS..Hα-helixtrans-62.7-45.5176-72.2178.3000112.1L43 L46 F61 Y62 F63 L67 V68 I69L43-L65 HydrophobicContact CD2-CD1 3.55Å; L46-L65 HydrophobicContact CD1-CD1 4.42Å; F61-L65 HydrophobicContact CD1-CD1 3.81Å; F61-L65 HydrophobicContact CD1-CG 4.41Å; F61-L65 HydrophobicContact CE1-CD1 3.38Å; F61-L65 HydrophobicContact CE1-CG 4.13Å; F61-L65 HydrophobicContact CE2-CG 4.49Å; F61-L65 HydrophobicContact CZ-CD1 3.79Å; F61-L65 HydrophobicContact CZ-CD2 4.27Å; F61-L65 HydrophobicContact CZ-CG 4.16Å; F61-L65 WeakPolarHBondContact O-CG 3.32Å; F61-L65 PolarHBondContact O-N 3.38Å; Y62-L65 PolarHBondContact O-N 2.93Å; F63-L65 PolarHBondContact O-N 3.07Å; L65-L67 VanDerWaalsContact C-N 3.35Å; L65-L67 PolarHBondContact O-N 3.43Å; L65-V68 PolarHBondContact O-N 3.13Å; L65-I69 VanDerWaalsContact O-CG1 3.3Å; L65-I69 WeakPolarHBondContact O-CG1 3.41Å; L65-I69 PolarHBondContact O-N 3.29Å
66L92.6Very high90.6Very high20 Ų2064.3 Ų64.311%0.10536%0.356CS..Hα-helixtrans-61.1-41.9175.4-73.6-175.5000112.3Y62 F63 V68 I69 F70 L186Y62-L66 HydrophobicContact CD1-CD1 4.14Å; Y62-L66 HydrophobicContact CE1-CD1 3.45Å; Y62-L66 VanDerWaalsContact CE1-CD1 3.45Å; Y62-L66 HydrophobicContact CE1-CG 4.17Å; Y62-L66 HydrophobicContact CE2-CD1 4.28Å; Y62-L66 HydrophobicContact CE2-CD2 4.4Å; Y62-L66 HydrophobicContact CE2-CG 4.2Å; Y62-L66 PolarHBondContact O-N 3.2Å; F63-L66 PolarHBondContact O-N 2.98Å; L66-V68 VanDerWaalsContact C-N 3.31Å; L66-V68 PolarHBondContact O-N 2.96Å; L66-I69 PolarHBondContact O-N 3.38Å; L66-F70 WeakPolarHBondContact O-CB 3.46Å; L66-F70 PolarHBondContact O-N 3.22Å; L66-L186 HydrophobicContact CB-CD2 3.51Å; L66-L186 HydrophobicContact CB-CG 4.07Å; L66-L186 HydrophobicContact CD1-CD2 4.17Å; L66-L186 HydrophobicContact CD1-CG 4.31Å
67L94.2Very high90.9Very high72 Ų7260 Ų6038%0.37735%0.349SS..Hα-helixtrans-62.6-38.5176-78.5-173.1000112.6F63 A64 L65 F70 A71 L186F63-L67 HydrophobicContact CD1-CD1 3.94Å; F63-L67 HydrophobicContact CD1-CG 4.32Å; F63-L67 HydrophobicContact CE1-CD1 3.23Å; F63-L67 HydrophobicContact CE1-CG 3.87Å; F63-L67 HydrophobicContact CE2-CD1 4.5Å; F63-L67 HydrophobicContact CE2-CG 4.37Å; F63-L67 HydrophobicContact CZ-CD1 3.55Å; F63-L67 HydrophobicContact CZ-CD2 4.16Å; F63-L67 HydrophobicContact CZ-CG 3.86Å; F63-L67 PolarHBondContact O-N 2.92Å; A64-L67 PolarHBondContact O-N 2.86Å; L65-L67 VanDerWaalsContact C-N 3.35Å; L65-L67 PolarHBondContact O-N 3.43Å; L67-F70 PolarHBondContact O-N 3.45Å; L67-A71 WeakPolarHBondContact O-CB 3.41Å; L67-A71 PolarHBondContact O-N 2.93Å; L67-L186 HydrophobicContact CD2-CD1 3.75Å; L67-L186 HydrophobicContact CD2-CD2 3.75Å; L67-L186 HydrophobicContact CD2-CG 4.43Å; L67-L186 HydrophobicContact CG-CD2 3.84Å
68V94.6Very high91.4Very high82 Ų8259.1 Ų59.150%0.49734%0.34SS..Hα-helixtrans-65.6-43.1176.2169.30000110.6A64 L65 L66 A71 I72A64-V68 VanDerWaalsContact O-CG2 3.3Å; A64-V68 WeakPolarHBondContact O-CG2 3.33Å; A64-V68 PolarHBondContact O-N 3.02Å; L65-V68 PolarHBondContact O-N 3.13Å; L66-V68 VanDerWaalsContact C-N 3.31Å; L66-V68 PolarHBondContact O-N 2.96Å; V68-A71 PolarHBondContact O-N 3.35Å; V68-I72 HydrophobicContact CG1-CD1 3.82Å; V68-I72 VanDerWaalsContact O-CG1 3.28Å; V68-I72 WeakPolarHBondContact O-CG1 3.26Å; V68-I72 PolarHBondContact O-N 2.91Å
69I92.3Very high91.6Very high63 Ų6359.3 Ų59.332%0.32335%0.348SS..Hα-helixtrans-61.8-46.4176.6-63.3166.1000110.2L65 L66 A71 I72 E73 E182L65-I69 VanDerWaalsContact O-CG1 3.3Å; L65-I69 WeakPolarHBondContact O-CG1 3.41Å; L65-I69 PolarHBondContact O-N 3.29Å; L66-I69 PolarHBondContact O-N 3.38Å; I69-A71 VanDerWaalsContact C-N 3.32Å; I69-A71 PolarHBondContact O-N 3.2Å; I69-I72 CarbonylContact O-C 3.56Å; I69-I72 WeakPolarHBondContact O-CA 3.28Å; I69-I72 WeakPolarHBondContact O-CB 3.2Å; I69-I72 PolarHBondContact O-N 3.42Å; I69-I72 VanDerWaalsContact O-N 3.07Å; I69-E73 PolarHBondContact O-N 3.43Å; I69-E182 WeakPolarHBondContact CG2-OE1 3.29Å
70F93.2Very high91.5Very high60 Ų6060.6 Ų60.626%0.26336%0.364SS..Hα-helixtrans-58.4-42177.1-178.8-103.7000112.6L66 L67 E73 I74 A179 E182L66-F70 WeakPolarHBondContact O-CB 3.46Å; L66-F70 PolarHBondContact O-N 3.22Å; L67-F70 PolarHBondContact O-N 3.45Å; F70-E73 PolarHBondContact O-N 3.28Å; F70-I74 HydrophobicContact CD1-CD1 3.92Å; F70-I74 HydrophobicContact CE1-CD1 3.4Å; F70-I74 VanDerWaalsContact CE1-CD1 3.4Å; F70-I74 HydrophobicContact CE1-CG1 4.48Å; F70-I74 HydrophobicContact CE2-CD1 4.4Å; F70-I74 HydrophobicContact CZ-CD1 3.69Å; F70-I74 HydrophobicContact CZ-CG1 4.5Å; F70-I74 WeakPolarHBondContact O-CG1 3.33Å; F70-I74 PolarHBondContact O-N 3.31Å; F70-I74 VanDerWaalsContact O-N 3.09Å; F70-A179 HydrophobicContact CE2-CB 4.11Å; F70-E182 WeakPolarHBondContact CA-OE2 3.33Å; F70-E182 PolarHBondContact N-OE2 2.93Å
71A95.4Very high91.5Very high58 Ų5865.9 Ų65.948%0.47938%0.377SS..Hα-helixtrans-65.5-39.5175.700000112.3L67 V68 I69 A75L67-A71 WeakPolarHBondContact O-CB 3.41Å; L67-A71 PolarHBondContact O-N 2.93Å; V68-A71 PolarHBondContact O-N 3.35Å; I69-A71 VanDerWaalsContact C-N 3.32Å; I69-A71 PolarHBondContact O-N 3.2Å; A71-A75 WeakPolarHBondContact O-CB 3.49Å; A71-A75 PolarHBondContact O-N 2.92Å
72I92.4Very high91.7Very high91 Ų9165.4 Ų65.447%0.46738%0.383SS..Hα-helixtrans-65.1-42175-70.2166.8000110.5V68 I69 I74 A75 I76V68-I72 HydrophobicContact CG1-CD1 3.82Å; V68-I72 VanDerWaalsContact O-CG1 3.28Å; V68-I72 WeakPolarHBondContact O-CG1 3.26Å; V68-I72 PolarHBondContact O-N 2.91Å; I69-I72 CarbonylContact O-C 3.56Å; I69-I72 WeakPolarHBondContact O-CA 3.28Å; I69-I72 WeakPolarHBondContact O-CB 3.2Å; I69-I72 PolarHBondContact O-N 3.42Å; I69-I72 VanDerWaalsContact O-N 3.07Å; I72-I74 PolarHBondContact O-N 3.45Å; I72-A75 PolarHBondContact O-N 3.15Å; I72-I76 HydrophobicContact CG2-CD1 3.61Å; I72-I76 HydrophobicContact CG2-CG1 4.19Å; I72-I76 WeakPolarHBondContact O-CB 3.29Å; I72-I76 VanDerWaalsContact O-CG1 3.29Å; I72-I76 WeakPolarHBondContact O-CG1 3.22Å; I72-I76 PolarHBondContact O-N 2.9Å
73E90.8Very high91.7Very high24 Ų2467 Ų6711%0.11239%0.392CS..Hα-helixtrans-59.6-47.2177.5-171.9-174.7-175.700111.4I69 F70 A75 I76 G77 V175 I178 A179I69-E73 PolarHBondContact O-N 3.43Å; F70-E73 PolarHBondContact O-N 3.28Å; E73-A75 VanDerWaalsContact C-N 3.33Å; E73-A75 PolarHBondContact O-N 3.17Å; E73-I76 PolarHBondContact O-N 3.08Å; E73-G77 PolarHBondContact O-N 2.85Å; E73-V175 HydrophobicContact CG-CG1 4.32Å; E73-I178 WeakPolarHBondContact OE1-CB 3.42Å; E73-I178 VanDerWaalsContact OE1-CG2 3.29Å; E73-I178 WeakPolarHBondContact OE1-CG2 3.47Å; E73-A179 PolarHBondContact OE1-N 2.91Å; E73-A179 VanDerWaalsContact OE2-CA 3.28Å; E73-A179 WeakPolarHBondContact OE2-CA 3.42Å; E73-A179 PolarHBondContact OE2-N 2.95Å
74I92.6Very high91.5Very high87 Ų8770.8 Ų70.845%0.44641%0.405SS..Hα-helixtrans-60.5-44.5174.8-67.1171.3000110.6F70 I72 I76 G77 V78F70-I74 HydrophobicContact CD1-CD1 3.92Å; F70-I74 HydrophobicContact CE1-CD1 3.4Å; F70-I74 VanDerWaalsContact CE1-CD1 3.4Å; F70-I74 HydrophobicContact CE1-CG1 4.48Å; F70-I74 HydrophobicContact CE2-CD1 4.4Å; F70-I74 HydrophobicContact CZ-CD1 3.69Å; F70-I74 HydrophobicContact CZ-CG1 4.5Å; F70-I74 WeakPolarHBondContact O-CG1 3.33Å; F70-I74 PolarHBondContact O-N 3.31Å; F70-I74 VanDerWaalsContact O-N 3.09Å; I72-I74 PolarHBondContact O-N 3.45Å; I74-I76 PolarHBondContact O-N 2.99Å; I74-G77 PolarHBondContact O-N 2.87Å; I74-V78 HydrophobicContact CG2-CG2 4.29Å; I74-V78 VanDerWaalsContact O-CG2 3.32Å; I74-V78 WeakPolarHBondContact O-CG2 3.49Å; I74-V78 PolarHBondContact O-N 3.25Å
75A92.9Very high91.5Very high58 Ų5873.7 Ų73.748%0.47941%0.411SS..Hα-helixtrans-61.9-43.9178.900000112.1A71 I72 E73 A79A71-A75 WeakPolarHBondContact O-CB 3.49Å; A71-A75 PolarHBondContact O-N 2.92Å; I72-A75 PolarHBondContact O-N 3.15Å; E73-A75 VanDerWaalsContact C-N 3.33Å; E73-A75 PolarHBondContact O-N 3.17Å; A75-A79 WeakPolarHBondContact O-CB 3.38Å; A75-A79 PolarHBondContact O-N 3.41Å
76I88Confident91.5Very high114 Ų11477 Ų7759%0.58543%0.425SS*.Hα-helixtrans-63.2-44.4175.1-68.5169000110.4I72 E73 I74 A79 G80I72-I76 HydrophobicContact CG2-CD1 3.61Å; I72-I76 HydrophobicContact CG2-CG1 4.19Å; I72-I76 WeakPolarHBondContact O-CB 3.29Å; I72-I76 VanDerWaalsContact O-CG1 3.29Å; I72-I76 WeakPolarHBondContact O-CG1 3.22Å; I72-I76 PolarHBondContact O-N 2.9Å; E73-I76 PolarHBondContact O-N 3.08Å; I74-I76 PolarHBondContact O-N 2.99Å; I76-A79 PolarHBondContact O-N 2.92Å; I76-G80 PolarHBondContact O-N 3.45Å
77G88.3Confident91.2Very high29 Ų2977.6 Ų77.630%0.29943%0.432SS..Hα-helixtrans-60.8-46.3178.300000112.5E73 I74 F81E73-G77 PolarHBondContact O-N 2.85Å; I74-G77 PolarHBondContact O-N 2.87Å; G77-F81 WeakPolarHBondContact O-CB 3.43Å; G77-F81 PolarHBondContact O-N 3.05Å
78V92.2Very high91.1Very high87 Ų8776.5 Ų76.553%0.52742%0.423SS..Hα-helixtrans-66-47176.3174.40000110.9I74 G80 F81 V82I74-V78 HydrophobicContact CG2-CG2 4.29Å; I74-V78 VanDerWaalsContact O-CG2 3.32Å; I74-V78 WeakPolarHBondContact O-CG2 3.49Å; I74-V78 PolarHBondContact O-N 3.25Å; V78-G80 PolarHBondContact O-N 3.22Å; V78-F81 PolarHBondContact O-N 3.46Å; V78-V82 HydrophobicContact CG1-CG2 4.28Å; V78-V82 WeakPolarHBondContact O-CG2 3.27Å; V78-V82 PolarHBondContact O-N 2.85Å
79A90.6Very high91.1Very high48 Ų4875.3 Ų75.340%0.39742%0.422SS..Hα-helixtrans-61.8-42.6178.900000111.8A75 I76 F81 V82 H83A75-A79 WeakPolarHBondContact O-CB 3.38Å; A75-A79 PolarHBondContact O-N 3.41Å; I76-A79 PolarHBondContact O-N 2.92Å; A79-F81 VanDerWaalsContact C-N 3.32Å; A79-F81 PolarHBondContact O-N 2.8Å; A79-V82 PolarHBondContact O-N 3.26Å; A79-H83 WeakPolarHBondContact O-CB 3.37Å; A79-H83 PolarHBondContact O-CD2 3.39Å; A79-H83 PolarHBondContact O-N 3.27Å
80G86.7Confident91Very high36 Ų3677.2 Ų77.237%0.37143%0.432SS..Hα-helixtrans-63.6-36.117600000112.8I76 V78 R84I76-G80 PolarHBondContact O-N 3.45Å; V78-G80 PolarHBondContact O-N 3.22Å; G80-R84 VanDerWaalsContact O-CA 3.31Å; G80-R84 WeakPolarHBondContact O-CA 3.38Å; G80-R84 WeakPolarHBondContact O-CB 3.48Å; G80-R84 PolarHBondContact O-N 2.95Å
81F87.3Confident90.9Very high144 Ų14477 Ų7763%0.63243%0.433SS*.Hα-helixtrans-70.8-45.6175.5-174.4-98.3000112.4G77 V78 A79G77-F81 WeakPolarHBondContact O-CB 3.43Å; G77-F81 PolarHBondContact O-N 3.05Å; V78-F81 PolarHBondContact O-N 3.46Å; A79-F81 VanDerWaalsContact C-N 3.32Å; A79-F81 PolarHBondContact O-N 2.8Å
82V92.5Very high90.9Very high98 Ų9875.3 Ų75.359%0.59442%0.415SS*.Hα-helixtrans-68.3-43.3-179.51730000111.3V78 A79V78-V82 HydrophobicContact CG1-CG2 4.28Å; V78-V82 WeakPolarHBondContact O-CG2 3.27Å; V78-V82 PolarHBondContact O-N 2.85Å; A79-V82 PolarHBondContact O-N 3.26Å
83H91.2Very high91Very high93 Ų9376.7 Ų76.743%0.43142%0.42SS..THydrogen-bonded Turntrans-98.927.9-176.8-61.1-77.2000113.2A79 E85 Q86 A87A79-H83 WeakPolarHBondContact O-CB 3.37Å; A79-H83 PolarHBondContact O-CD2 3.39Å; A79-H83 PolarHBondContact O-N 3.27Å; H83-E85 VanDerWaalsContact C-N 3.28Å; H83-E85 PolarHBondContact O-N 3Å; H83-E85 VanDerWaalsContact O-N 3.17Å; H83-Q86 HydrophobicContact CB-CB 4.47Å; H83-Q86 PolarHBondContact ND1-OE1 3.14Å; H83-Q86 VanDerWaalsContact ND1-OE1 3.15Å; H83-Q86 PolarHBondContact O-N 3.29Å; H83-Q86 VanDerWaalsContact O-N 3.08Å; H83-A87 PolarHBondContact O-N 3.19Å
84R89.2Confident91Very high126 Ų12678.2 Ų78.248%0.47543%0.43SS..Hα-helixtrans-55.5-36.9-173.871.7-173.3-169.3-157-2.8114.6G80 R88G80-R84 VanDerWaalsContact O-CA 3.31Å; G80-R84 WeakPolarHBondContact O-CA 3.38Å; G80-R84 WeakPolarHBondContact O-CB 3.48Å; G80-R84 PolarHBondContact O-N 2.95Å; R84-R88 WeakPolarHBondContact O-CB 3.31Å; R84-R88 PolarHBondContact O-N 3.2Å
85E91.7Very high91.1Very high107 Ų10774.2 Ų74.250%0.541%0.41SS..Hα-helixtrans-72.5-37.1-179.6-57-52.6147.300111.6H83 R88 A89H83-E85 VanDerWaalsContact C-N 3.28Å; H83-E85 PolarHBondContact O-N 3Å; H83-E85 VanDerWaalsContact O-N 3.17Å; E85-R88 PolarHBondContact O-N 3.02Å; E85-R88 IonicContact OE2-NE 2.9Å; E85-A89 PolarHBondContact O-N 3.41Å
86Q92Very high91.2Very high120 Ų12076.2 Ų76.256%0.56141%0.408SS*.Hα-helixtrans-69.3-43.5174.8-67.9173.6-6.800110.6H83 R88 A89 I90H83-Q86 HydrophobicContact CB-CB 4.47Å; H83-Q86 PolarHBondContact ND1-OE1 3.14Å; H83-Q86 VanDerWaalsContact ND1-OE1 3.15Å; H83-Q86 PolarHBondContact O-N 3.29Å; H83-Q86 VanDerWaalsContact O-N 3.08Å; Q86-R88 VanDerWaalsContact C-N 3.31Å; Q86-R88 PolarHBondContact O-N 3.36Å; Q86-A89 PolarHBondContact O-N 2.9Å; Q86-I90 WeakPolarHBondContact O-CG1 3.44Å; Q86-I90 PolarHBondContact O-N 3.37Å
87A87.3Confident91.3Very high32 Ų3275.9 Ų75.926%0.26440%0.404SS..Hα-helixtrans-58.2-44.517400000111.1H83 I90 I91H83-A87 PolarHBondContact O-N 3.19Å; A87-I90 PolarHBondContact O-N 3.34Å; A87-I91 WeakPolarHBondContact O-CD1 3.12Å; A87-I91 VanDerWaalsContact O-CG1 3.25Å; A87-I91 WeakPolarHBondContact O-CG1 3.35Å; A87-I91 PolarHBondContact O-N 3.01Å
88R91.6Very high91.4Very high49 Ų4974.5 Ų74.519%0.18539%0.39CS..Hα-helixtrans-58.1-50.5173.4-170.2-172-57.4-90-1.8110.9R84 E85 Q86 I90 I91 H92 D162R84-R88 WeakPolarHBondContact O-CB 3.31Å; R84-R88 PolarHBondContact O-N 3.2Å; E85-R88 PolarHBondContact O-N 3.02Å; E85-R88 IonicContact OE2-NE 2.9Å; Q86-R88 VanDerWaalsContact C-N 3.31Å; Q86-R88 PolarHBondContact O-N 3.36Å; R88-I90 VanDerWaalsContact C-N 3.34Å; R88-I90 PolarHBondContact O-N 3.07Å; R88-I91 PolarHBondContact O-N 3.03Å; R88-H92 WeakPolarHBondContact CG-NE2 3.29Å; R88-H92 PolarHBondContact O-CD2 3.38Å; R88-H92 PolarHBondContact O-N 2.99Å; R88-D162 WeakPolarHBondContact CD-OD1 3.37Å; R88-D162 IonicContact CZ-OD1 3.92Å; R88-D162 IonicContact NE-OD1 2.63Å; R88-D162 IonicContact NH1-OD1 3.66Å; R88-D162 PolarHBondContact NH1-OD1 2.96Å
89A94.4Very high91.3Very high58 Ų5870.8 Ų70.848%0.47937%0.367SS..Hα-helixtrans-56.4-46.1-179.600000112.8E85 Q86 I91 H92 E93E85-A89 PolarHBondContact O-N 3.41Å; Q86-A89 PolarHBondContact O-N 2.9Å; A89-I91 PolarHBondContact O-N 3.03Å; A89-H92 PolarHBondContact O-N 3.49Å; A89-E93 PolarHBondContact O-N 3.49Å
90I90.8Very high91.3Very high103 Ų10374.2 Ų74.253%0.52838%0.375SS..Hα-helixtrans-60.1-46.9177.7-66.2164.2000110.6Q86 A87 R88 H92 E93 T94Q86-I90 WeakPolarHBondContact O-CG1 3.44Å; Q86-I90 PolarHBondContact O-N 3.37Å; A87-I90 PolarHBondContact O-N 3.34Å; R88-I90 VanDerWaalsContact C-N 3.34Å; R88-I90 PolarHBondContact O-N 3.07Å; I90-H92 VanDerWaalsContact C-N 3.29Å; I90-H92 PolarHBondContact O-N 3.21Å; I90-E93 PolarHBondContact O-N 3.06Å; I90-T94 WeakPolarHBondContact O-CB 3.36Å; I90-T94 PolarHBondContact O-N 3.3Å; I90-T94 PolarHBondContact O-OG1 2.85Å
91I91.2Very high91.4Very high55 Ų5574.3 Ų74.328%0.28237%0.367SS..Hα-helixtrans-60.9-41.1179.6-64.3161.4000110.9A87 R88 A89 T94 L95 I161A87-I91 WeakPolarHBondContact O-CD1 3.12Å; A87-I91 VanDerWaalsContact O-CG1 3.25Å; A87-I91 WeakPolarHBondContact O-CG1 3.35Å; A87-I91 PolarHBondContact O-N 3.01Å; R88-I91 PolarHBondContact O-N 3.03Å; A89-I91 PolarHBondContact O-N 3.03Å; I91-T94 PolarHBondContact O-N 2.88Å; I91-L95 HydrophobicContact CG2-CD1 4.12Å; I91-L95 HydrophobicContact CG2-CG 4.3Å; I91-L95 VanDerWaalsContact O-CG 3.27Å; I91-L95 WeakPolarHBondContact O-CG 3.35Å; I91-L95 PolarHBondContact O-N 2.94Å; I91-I161 HydrophobicContact CG2-CD1 4.17Å; I91-I161 HydrophobicContact CG2-CG2 3.83Å
92H95.8Very high91.3Very high23 Ų2368 Ų6811%0.10634%0.339CS..Hα-helixtrans-66.7-39.7179.5-75.9-125000112.7R88 A89 I90 K96 Y124 K158 D162R88-H92 WeakPolarHBondContact CG-NE2 3.29Å; R88-H92 PolarHBondContact O-CD2 3.38Å; R88-H92 PolarHBondContact O-N 2.99Å; A89-H92 PolarHBondContact O-N 3.49Å; I90-H92 VanDerWaalsContact C-N 3.29Å; I90-H92 PolarHBondContact O-N 3.21Å; H92-K96 WeakPolarHBondContact O-CG 3.44Å; H92-K96 PolarHBondContact O-N 2.92Å; H92-Y124 HydrophobicContact CB-CE2 4.04Å; H92-Y124 AromaticContact ND1-CE2 3.91Å; H92-Y124 AromaticContact ND1-CZ 3.91Å; H92-Y124 PolarHBondContact ND1-OH 2.89Å; H92-Y124 VanDerWaalsContact ND1-OH 3.1Å; H92-Y124 WeakPolarHBondContact O-CE2 3.28Å; H92-K158 WeakPolarHBondContact CE1-CE 3.41Å; H92-K158 WeakPolarHBondContact CE1-CG 3.06Å; H92-K158 WeakPolarHBondContact ND1-CG 3.49Å; H92-D162 IonicContact CE1-OD1 2.7Å; H92-D162 PolarHBondContact CE1-OD1 3.28Å; H92-D162 IonicContact CE1-OD2 3.49Å; H92-D162 PolarHBondContact CE1-OD2 3.31Å; H92-D162 VanDerWaalsContact CE1-OD2 3.26Å; H92-D162 IonicContact NE2-OD1 3.34Å; H92-D162 PolarHBondContact NE2-OD1 3.14Å; H92-D162 IonicContact NE2-OD2 3.36Å
93E94.5Very high91Very high120 Ų12068.4 Ų68.456%0.56133%0.333SS*.Hα-helixtrans-62.3-50.1174.2-175168.5-153.700110.3A89 I90 L95 K96 E97A89-E93 PolarHBondContact O-N 3.49Å; I90-E93 PolarHBondContact O-N 3.06Å; E93-L95 PolarHBondContact O-N 3.04Å; E93-K96 WeakPolarHBondContact O-CB 3.25Å; E93-K96 PolarHBondContact O-N 3.42Å; E93-K96 VanDerWaalsContact O-N 3.09Å; E93-E97 WeakPolarHBondContact O-CG 3.42Å; E93-E97 PolarHBondContact O-N 3.45Å
94T90.2Very high90.8Very high55 Ų5570.2 Ų70.234%0.33735%0.345SS..Hα-helixtrans-55-48.9175.8-57.60000111.5I90 I91 K96 E97 G98 W111I90-T94 WeakPolarHBondContact O-CB 3.36Å; I90-T94 PolarHBondContact O-N 3.3Å; I90-T94 PolarHBondContact O-OG1 2.85Å; I91-T94 PolarHBondContact O-N 2.88Å; T94-K96 VanDerWaalsContact C-N 3.29Å; T94-K96 PolarHBondContact O-N 3.21Å; T94-E97 WeakPolarHBondContact O-CB 3.35Å; T94-E97 PolarHBondContact O-N 3.41Å; T94-G98 PolarHBondContact O-N 3.47Å; T94-W111 HydrophobicContact CG2-CH2 3.57Å; T94-W111 HydrophobicContact CG2-CZ2 4.32Å; T94-W111 HydrophobicContact CG2-CZ3 3.99Å; T94-W111 VanDerWaalsContact O-CH2 3.23Å; T94-W111 WeakPolarHBondContact O-CH2 3.35Å
95L93.9Very high90.2Very high3 Ų364.4 Ų64.42%0.01632%0.324CS..Hα-helixtrans-59.5-37.6179-70.9170.3000113I91 E93 G98 V99 M112 I115 Y124 C157 I161I91-L95 HydrophobicContact CG2-CD1 4.12Å; I91-L95 HydrophobicContact CG2-CG 4.3Å; I91-L95 VanDerWaalsContact O-CG 3.27Å; I91-L95 WeakPolarHBondContact O-CG 3.35Å; I91-L95 PolarHBondContact O-N 2.94Å; E93-L95 PolarHBondContact O-N 3.04Å; L95-G98 PolarHBondContact O-N 3.21Å; L95-V99 WeakPolarHBondContact O-CG2 3.39Å; L95-V99 PolarHBondContact O-N 3.48Å; L95-V99 VanDerWaalsContact O-N 3.13Å; L95-M112 HydrophobicContact CD2-CE 4.1Å; L95-M112 HydrophobicContact CD2-SD 4.29Å; L95-I115 HydrophobicContact CD2-CD1 4.14Å; L95-I115 HydrophobicContact CD2-CG2 4.1Å; L95-Y124 HydrophobicContact CB-CD2 3.69Å; L95-Y124 HydrophobicContact CB-CE2 4.34Å; L95-Y124 HydrophobicContact CD1-CD2 4.28Å; L95-C157 HydrophobicContact CD1-CB 4.38Å; L95-C157 HydrophobicContact CD2-CB 4.04Å; L95-I161 HydrophobicContact CD1-CD1 3.66Å; L95-I161 HydrophobicContact CD2-CD1 3.87Å; L95-I161 HydrophobicContact CG-CD1 4.21Å
96K95Very high89.3Confident101 Ų10166.2 Ų66.244%0.43934%0.338SS..Hα-helixtrans-67.3-46.4176.1-71.4175.8-175.9178.10111.3H92 E93 T94 G98 V99 E100 Y124H92-K96 WeakPolarHBondContact O-CG 3.44Å; H92-K96 PolarHBondContact O-N 2.92Å; E93-K96 WeakPolarHBondContact O-CB 3.25Å; E93-K96 PolarHBondContact O-N 3.42Å; E93-K96 VanDerWaalsContact O-N 3.09Å; T94-K96 VanDerWaalsContact C-N 3.29Å; T94-K96 PolarHBondContact O-N 3.21Å; K96-G98 PolarHBondContact O-N 2.95Å; K96-V99 PolarHBondContact O-N 3.46Å; K96-V99 VanDerWaalsContact O-N 3.14Å; K96-E100 PolarHBondContact O-N 2.88Å; K96-Y124 VanDerWaalsContact CE-CZ 3.42Å; K96-Y124 HydrophobicContact CG-CD1 4.07Å; K96-Y124 HydrophobicContact CG-CD2 3.76Å; K96-Y124 HydrophobicContact CG-CE1 4.2Å; K96-Y124 HydrophobicContact CG-CE2 3.87Å; K96-Y124 HydrophobicContact CG-CG 3.86Å
97E91.3Very high88Confident107 Ų10766.5 Ų66.550%0.534%0.343SS..Hα-helixtrans-57.4-38.2174.7-68.7178.8163.100111.2E93 T94 E100 D101E93-E97 WeakPolarHBondContact O-CG 3.42Å; E93-E97 PolarHBondContact O-N 3.45Å; T94-E97 WeakPolarHBondContact O-CB 3.35Å; T94-E97 PolarHBondContact O-N 3.41Å; E97-E100 PolarHBondContact O-N 3.49Å; E97-D101 VanDerWaalsContact O-CB 3.3Å; E97-D101 WeakPolarHBondContact O-CB 3.09Å; E97-D101 PolarHBondContact O-N 2.91Å
98G89.3Confident87.3Confident0 Ų067.7 Ų67.70%034%0.343CS..Hα-helixtrans-65.6-37.3176.300000114.4T94 L95 K96 W102 W111T94-G98 PolarHBondContact O-N 3.47Å; L95-G98 PolarHBondContact O-N 3.21Å; K96-G98 PolarHBondContact O-N 2.95Å; G98-W102 VanDerWaalsContact O-CB 3.24Å; G98-W102 WeakPolarHBondContact O-CB 3.29Å; G98-W102 PolarHBondContact O-N 3Å; G98-W111 VanDerWaalsContact CA-CH2 3.45Å
99V91.3Very high86.4Confident8 Ų869 Ų695%0.04836%0.356CS..Hα-helixtrans-66.7-41.8172.9171.60000110.7L95 K96 K103 M112 D129 Y130L95-V99 WeakPolarHBondContact O-CG2 3.39Å; L95-V99 PolarHBondContact O-N 3.48Å; L95-V99 VanDerWaalsContact O-N 3.13Å; K96-V99 PolarHBondContact O-N 3.46Å; K96-V99 VanDerWaalsContact O-N 3.14Å; V99-K103 WeakPolarHBondContact O-CG 3.46Å; V99-K103 PolarHBondContact O-N 3.43Å; V99-K103 VanDerWaalsContact O-N 3.11Å; V99-M112 HydrophobicContact CG2-CE 3.92Å; V99-D129 HydrophobicContact CG1-CB 3.99Å; V99-Y130 HydrophobicContact CB-CE1 4.34Å; V99-Y130 HydrophobicContact CG1-CD1 4.31Å; V99-Y130 HydrophobicContact CG1-CE1 3.84Å; V99-Y130 HydrophobicContact CG2-CE1 4.44Å
100E90.5Very high85.6Confident121 Ų12167 Ų6757%0.56534%0.336SS*.Hα-helixtrans-67.6-44.9178.5-70.2-178.7-177.600112.4K96 E97 W102 K103 N104K96-E100 PolarHBondContact O-N 2.88Å; E97-E100 PolarHBondContact O-N 3.49Å; E100-W102 VanDerWaalsContact C-N 3.32Å; E100-W102 PolarHBondContact O-N 3.47Å; E100-K103 PolarHBondContact O-N 2.87Å; E100-N104 PolarHBondContact O-N 3.43Å; E100-N104 PolarHBondContact O-ND2 3.2Å
101D87.4Confident85.1Confident37 Ų3766.4 Ų66.420%0.19833%0.327CS..Hα-helixtrans-58.4-45174.7-177.357.7000111.1E97 K103 N104 S105 R110E97-D101 VanDerWaalsContact O-CB 3.3Å; E97-D101 WeakPolarHBondContact O-CB 3.09Å; E97-D101 PolarHBondContact O-N 2.91Å; D101-K103 PolarHBondContact O-N 3.29Å; D101-N104 PolarHBondContact O-N 3.12Å; D101-N104 VanDerWaalsContact O-N 3.17Å; D101-S105 WeakPolarHBondContact O-CB 3.49Å; D101-S105 PolarHBondContact O-N 2.91Å; D101-S105 VanDerWaalsContact O-N 3.1Å; D101-R110 WeakPolarHBondContact OD2-CD 3.08Å
102W86.3Confident84.9Confident12 Ų1263.8 Ų63.85%0.04531%0.314CS..Hα-helixtrans-62.3-39.4177.4-172.299.5000112.8G98 E100 N104 S105 D113 Y130 A133 V135G98-W102 VanDerWaalsContact O-CB 3.24Å; G98-W102 WeakPolarHBondContact O-CB 3.29Å; G98-W102 PolarHBondContact O-N 3Å; E100-W102 VanDerWaalsContact C-N 3.32Å; E100-W102 PolarHBondContact O-N 3.47Å; W102-N104 PolarHBondContact O-N 3.34Å; W102-S105 PolarHBondContact O-N 3.44Å; W102-S105 PolarHBondContact O-OG 3.18Å; W102-D113 PolarHBondContact NE1-OD1 2.88Å; W102-Y130 HydrophobicContact CB-CE1 4.01Å; W102-Y130 AromaticContact CD2-CD1 3.94Å; W102-Y130 HydrophobicContact CD2-CD1 3.94Å; W102-Y130 AromaticContact CD2-CE1 3.58Å; W102-Y130 HydrophobicContact CD2-CE1 3.58Å; W102-Y130 AromaticContact CE3-CD1 3.18Å; W102-Y130 HydrophobicContact CE3-CD1 3.18Å; W102-Y130 AromaticContact CE3-CE1 3.29Å; W102-Y130 HydrophobicContact CE3-CE1 3.29Å; W102-Y130 HydrophobicContact CE3-CG 4.15Å; W102-Y130 AromaticContact CG-CE1 3.89Å; W102-Y130 HydrophobicContact CG-CE1 3.89Å; W102-Y130 HydrophobicContact CH2-CD1 4.41Å; W102-Y130 AromaticContact CZ3-CD1 3.46Å; W102-Y130 HydrophobicContact CZ3-CD1 3.46Å; W102-Y130 VanDerWaalsContact CZ3-CD1 3.46Å; W102-Y130 HydrophobicContact CZ3-CE1 4.02Å; W102-Y130 HydrophobicContact CZ3-CG 4.04Å; W102-A133 HydrophobicContact CH2-CB 4.16Å; W102-A133 HydrophobicContact CZ3-CB 4.12Å; W102-V135 HydrophobicContact CH2-CB 4.18Å; W102-V135 HydrophobicContact CH2-CG1 4.43Å; W102-V135 HydrophobicContact CH2-CG2 3.34Å; W102-V135 HydrophobicContact CZ2-CB 3.92Å; W102-V135 HydrophobicContact CZ2-CG1 3.72Å; W102-V135 HydrophobicContact CZ2-CG2 3.52Å; W102-V135 HydrophobicContact CZ3-CG2 3.89Å
103K86.6Confident84.5Confident106 Ų10663.6 Ų63.646%0.46131%0.314SS..Hα-helixtrans-62.8-33.5176.4-76.5174179.91780112.6V99 E100 D101 D129 Y130V99-K103 WeakPolarHBondContact O-CG 3.46Å; V99-K103 PolarHBondContact O-N 3.43Å; V99-K103 VanDerWaalsContact O-N 3.11Å; E100-K103 PolarHBondContact O-N 2.87Å; D101-K103 PolarHBondContact O-N 3.29Å; K103-D129 WeakPolarHBondContact CE-O 3.23Å; K103-D129 PolarHBondContact NZ-O 3.07Å; K103-Y130 HydrophobicContact CG-CD1 4.27Å
104N86.4Confident84Confident131 Ų13160.3 Ų60.370%0.70131%0.307SS*.Hα-helixtrans-83.5-14.9-179.9-66.5-31.5000112.8E100 D101 W102 N106E100-N104 PolarHBondContact O-N 3.43Å; E100-N104 PolarHBondContact O-ND2 3.2Å; D101-N104 PolarHBondContact O-N 3.12Å; D101-N104 VanDerWaalsContact O-N 3.17Å; W102-N104 PolarHBondContact O-N 3.34Å; N104-N106 VanDerWaalsContact C-N 3.35Å; N104-N106 PolarHBondContact O-N 3.49Å
105S76.3Confident84Confident5 Ų559.3 Ų59.34%0.03530%0.299CS..SBendtrans-88.312.9-170.873.70000115.2D101 W102 N107 E108 R110D101-S105 WeakPolarHBondContact O-CB 3.49Å; D101-S105 PolarHBondContact O-N 2.91Å; D101-S105 VanDerWaalsContact O-N 3.1Å; W102-S105 PolarHBondContact O-N 3.44Å; W102-S105 PolarHBondContact O-OG 3.18Å; S105-N107 PolarHBondContact O-N 3.39Å; S105-N107 VanDerWaalsContact O-N 3.13Å; S105-E108 VanDerWaalsContact O-CB 3.29Å; S105-E108 WeakPolarHBondContact O-CB 3.33Å; S105-E108 WeakPolarHBondContact O-CG 2.97Å; S105-E108 PolarHBondContact O-N 2.69Å; S105-R110 WeakPolarHBondContact OG-CG 3.23Å
106N72.5Confident83.8Confident145 Ų14559.1 Ų59.178%0.77530%0.299SS*.THydrogen-bonded Turntrans41.852.2173.4-77.8-12000114.8N104 E108N104-N106 VanDerWaalsContact C-N 3.35Å; N104-N106 PolarHBondContact O-N 3.49Å; N106-E108 VanDerWaalsContact C-N 3.32Å; N106-E108 PolarHBondContact O-N 2.95Å
107N66.4Low83.5Confident125 Ų12558.7 Ų58.767%0.66830%0.304SS*.THydrogen-bonded Turntrans67.915.1-178.9-57.3-31.2000116.5S105S105-N107 PolarHBondContact O-N 3.39Å; S105-N107 VanDerWaalsContact O-N 3.13Å
108E72.1Confident83.3Confident57 Ų5760.8 Ų60.827%0.26632%0.315SS..  trans-71.5144.6168-69.1-179.5-169.400111.9S105 N106 R110S105-E108 VanDerWaalsContact O-CB 3.29Å; S105-E108 WeakPolarHBondContact O-CB 3.33Å; S105-E108 WeakPolarHBondContact O-CG 2.97Å; S105-E108 PolarHBondContact O-N 2.69Å; N106-E108 VanDerWaalsContact C-N 3.32Å; N106-E108 PolarHBondContact O-N 2.95Å; E108-R110 PolarHBondContact O-N 2.79Å; E108-R110 IonicContact OE2-CZ 3.65Å; E108-R110 IonicContact OE2-NH1 3.9Å; E108-R110 PolarHBondContact OE2-NH1 2.91Å; E108-R110 IonicContact OE2-NH2 3.26Å; E108-R110 PolarHBondContact OE2-NH2 3.5Å
109V71.3Confident83.3Confident76 Ų7664.5 Ų64.546%0.46133%0.332SS..  trans-67.1128.7174.3173.20000109.6R18 D113R18-V109 VanDerWaalsContact NH1-CG2 3.29Å; V109-D113 WeakPolarHBondContact CA-OD2 3.32Å; V109-D113 HydrophobicContact CG1-CB 4.35Å
110R78.7Confident83.3Confident18 Ų1869 Ų697%0.06835%0.352CS..  trans-123.5169.4-179.2-62.8-66.887.8149.111.2111.1D101 S105 E108 M112 D113D101-R110 WeakPolarHBondContact OD2-CD 3.08Å; S105-R110 WeakPolarHBondContact OG-CG 3.23Å; E108-R110 PolarHBondContact O-N 2.79Å; E108-R110 IonicContact OE2-CZ 3.65Å; E108-R110 IonicContact OE2-NH1 3.9Å; E108-R110 PolarHBondContact OE2-NH1 2.91Å; E108-R110 IonicContact OE2-NH2 3.26Å; E108-R110 PolarHBondContact OE2-NH2 3.5Å; R110-M112 PolarHBondContact O-N 3.39Å; R110-D113 PolarHBondContact N-OD2 2.97Å; R110-D113 WeakPolarHBondContact O-CB 3.21Å; R110-D113 PolarHBondContact O-N 3.35Å
111W80.8Confident83.4Confident89 Ų8963.2 Ų63.234%0.33733%0.325SS..Hα-helixtrans-59.2-28.617563.7-89.6000112.8T94 G98 D113 A114 I115T94-W111 HydrophobicContact CG2-CH2 3.57Å; T94-W111 HydrophobicContact CG2-CZ2 4.32Å; T94-W111 HydrophobicContact CG2-CZ3 3.99Å; T94-W111 VanDerWaalsContact O-CH2 3.23Å; T94-W111 WeakPolarHBondContact O-CH2 3.35Å; G98-W111 VanDerWaalsContact CA-CH2 3.45Å; W111-D113 VanDerWaalsContact C-N 3.27Å; W111-D113 PolarHBondContact O-N 3.34Å; W111-A114 WeakPolarHBondContact O-CB 3.11Å; W111-A114 PolarHBondContact O-N 3.42Å; W111-A114 VanDerWaalsContact O-N 3.15Å; W111-I115 HydrophobicContact CE3-CD1 3.52Å; W111-I115 HydrophobicContact CE3-CG1 4.31Å; W111-I115 HydrophobicContact CZ3-CD1 3.27Å; W111-I115 HydrophobicContact CZ3-CG1 4.46Å; W111-I115 PolarHBondContact O-N 2.79Å
112M86.8Confident83.7Confident0 Ų061.5 Ų61.50%032%0.316CS..Hα-helixtrans-63.2-31.8175-16565.2-175.500112.3L95 V99 R110 A114 I115 H116 Y130 C157L95-M112 HydrophobicContact CD2-CE 4.1Å; L95-M112 HydrophobicContact CD2-SD 4.29Å; V99-M112 HydrophobicContact CG2-CE 3.92Å; R110-M112 PolarHBondContact O-N 3.39Å; M112-A114 VanDerWaalsContact C-N 3.29Å; M112-A114 PolarHBondContact O-N 2.96Å; M112-I115 WeakPolarHBondContact O-CB 3.49Å; M112-I115 PolarHBondContact O-N 2.83Å; M112-I115 VanDerWaalsContact O-N 3.16Å; M112-I115 HydrophobicContact SD-CB 4.44Å; M112-I115 HydrophobicContact SD-CD1 4.35Å; M112-H116 VanDerWaalsContact O-CG 3.29Å; M112-H116 PolarHBondContact O-N 3.32Å; M112-Y130 WeakPolarHBondContact CG-OH 3.48Å; M112-C157 HydrophobicContact CE-CB 4.46Å
113D87.1Confident84Confident19 Ų1961 Ų6110%0.10231%0.314CS..Hα-helixtrans-64.2-36175.1-63.9-51.1000111.8W102 V109 R110 W111 I115 H116 V117 S137W102-D113 PolarHBondContact NE1-OD1 2.88Å; V109-D113 WeakPolarHBondContact CA-OD2 3.32Å; V109-D113 HydrophobicContact CG1-CB 4.35Å; R110-D113 PolarHBondContact N-OD2 2.97Å; R110-D113 WeakPolarHBondContact O-CB 3.21Å; R110-D113 PolarHBondContact O-N 3.35Å; W111-D113 VanDerWaalsContact C-N 3.27Å; W111-D113 PolarHBondContact O-N 3.34Å; D113-I115 VanDerWaalsContact C-N 3.35Å; D113-H116 PolarHBondContact O-N 2.91Å; D113-V117 WeakPolarHBondContact O-CG2 3.36Å; D113-V117 PolarHBondContact O-N 3.37Å; D113-S137 VanDerWaalsContact OD1-CB 3.23Å; D113-S137 WeakPolarHBondContact OD1-CB 3.45Å; D113-S137 PolarHBondContact OD1-OG 2.86Å
114A84.7Confident84.5Confident52 Ų5257 Ų5743%0.4330%0.297SS..Hα-helixtrans-66.3-39.7174.700000111W111 M112 V117 M118W111-A114 WeakPolarHBondContact O-CB 3.11Å; W111-A114 PolarHBondContact O-N 3.42Å; W111-A114 VanDerWaalsContact O-N 3.15Å; M112-A114 VanDerWaalsContact C-N 3.29Å; M112-A114 PolarHBondContact O-N 2.96Å; A114-V117 PolarHBondContact O-N 3.09Å; A114-M118 VanDerWaalsContact O-CB 3.22Å; A114-M118 WeakPolarHBondContact O-CB 3.37Å; A114-M118 WeakPolarHBondContact O-CG 3.31Å; A114-M118 PolarHBondContact O-N 3.37Å
115I88.7Confident84.9Confident33 Ų3355.4 Ų55.417%0.16929%0.288CS..Hα-helixtrans-63-43.7175.6-68.1-177.1000111L95 W111 M112 D113 V117 M118 F119 C157L95-I115 HydrophobicContact CD2-CD1 4.14Å; L95-I115 HydrophobicContact CD2-CG2 4.1Å; W111-I115 HydrophobicContact CE3-CD1 3.52Å; W111-I115 HydrophobicContact CE3-CG1 4.31Å; W111-I115 HydrophobicContact CZ3-CD1 3.27Å; W111-I115 HydrophobicContact CZ3-CG1 4.46Å; W111-I115 PolarHBondContact O-N 2.79Å; M112-I115 WeakPolarHBondContact O-CB 3.49Å; M112-I115 PolarHBondContact O-N 2.83Å; M112-I115 VanDerWaalsContact O-N 3.16Å; M112-I115 HydrophobicContact SD-CB 4.44Å; M112-I115 HydrophobicContact SD-CD1 4.35Å; D113-I115 VanDerWaalsContact C-N 3.35Å; I115-V117 VanDerWaalsContact C-N 3.31Å; I115-V117 PolarHBondContact O-N 2.83Å; I115-M118 PolarHBondContact O-N 2.95Å; I115-F119 HydrophobicContact CG2-CD2 3.98Å; I115-F119 PolarHBondContact O-N 3.34Å; I115-C157 HydrophobicContact CG2-CB 4.36Å
116H90.5Very high85.7Confident0 Ų055.3 Ų55.30%029%0.288CS..Hα-helixtrans-56.3-47177.3-64.8160.2000111.9M112 D113 Q120 C121 G123 Y130 S137 C138M112-H116 VanDerWaalsContact O-CG 3.29Å; M112-H116 PolarHBondContact O-N 3.32Å; D113-H116 PolarHBondContact O-N 2.91Å; H116-Q120 WeakPolarHBondContact O-CA 3.47Å; H116-Q120 PolarHBondContact O-N 3.4Å; H116-C121 WeakPolarHBondContact CA-O 3.49Å; H116-C121 VanDerWaalsContact CB-O 3.28Å; H116-C121 WeakPolarHBondContact CB-O 3.23Å; H116-C121 PolarHBondContact CD2-O 2.63Å; H116-C121 PolarHBondContact O-N 2.91Å; H116-C121 VanDerWaalsContact O-N 3.15Å; H116-G123 PolarHBondContact NE2-N 3.38Å; H116-Y130 AromaticContact CE1-CE2 3.69Å; H116-Y130 AromaticContact CE1-CZ 3.73Å; H116-Y130 PolarHBondContact CE1-OH 2.99Å; H116-Y130 AromaticContact NE2-CE2 3.91Å; H116-Y130 PolarHBondContact NE2-OH 3.41Å; H116-S137 WeakPolarHBondContact CB-O 3.49Å; H116-S137 PolarHBondContact ND1-OG 3.46Å; H116-C138 PolarHBondContact ND1-SG 2.78Å
117V87.8Confident86.4Confident91 Ų9150 Ų5055%0.55226%0.261SS*.Hα-helixtrans-71.5-44.2-179.7176.60000111.8D113 A114 I115D113-V117 WeakPolarHBondContact O-CG2 3.36Å; D113-V117 PolarHBondContact O-N 3.37Å; A114-V117 PolarHBondContact O-N 3.09Å; I115-V117 VanDerWaalsContact C-N 3.31Å; I115-V117 PolarHBondContact O-N 2.83Å
118M87.2Confident87.5Confident151 Ų15149.4 Ų49.474%0.74426%0.262SS*.Hα-helixtrans-67.8-40.2-175.5-70.7-70.5-17500112.7A114 I115A114-M118 VanDerWaalsContact O-CB 3.22Å; A114-M118 WeakPolarHBondContact O-CB 3.37Å; A114-M118 WeakPolarHBondContact O-CG 3.31Å; A114-M118 PolarHBondContact O-N 3.37Å; I115-M118 PolarHBondContact O-N 2.95Å
119F89.9Confident88.5Confident79 Ų7948.3 Ų48.335%0.34626%0.258SS..Hα-helixtrans-100.5-3.5-178.1-68.1-75.7000113.6I115 C121 R160 I164I115-F119 HydrophobicContact CG2-CD2 3.98Å; I115-F119 PolarHBondContact O-N 3.34Å; F119-C121 VanDerWaalsContact C-N 3.34Å; F119-R160 HydrophobicContact CB-CG 4.22Å; F119-R160 WeakPolarHBondContact O-CG 3.41Å; F119-R160 PolarHBondContact O-NE 3.29Å; F119-I164 HydrophobicContact CD1-CD1 3.54Å; F119-I164 HydrophobicContact CE1-CD1 3.65Å
120Q90.5Very high89.3Confident102 Ų10245.2 Ų45.248%0.47724%0.238SC..THydrogen-bonded Turntrans54.850.5-177-59.6-178.3-48.400111.4H116 F153H116-Q120 WeakPolarHBondContact O-CA 3.47Å; H116-Q120 PolarHBondContact O-N 3.4Å; Q120-F153 VanDerWaalsContact C-CG 3.47Å; Q120-F153 HydrophobicContact CB-CD1 3.87Å; Q120-F153 HydrophobicContact CB-CE1 3.53Å; Q120-F153 HydrophobicContact CB-CE2 4.4Å; Q120-F153 HydrophobicContact CB-CG 4.45Å; Q120-F153 HydrophobicContact CB-CZ 3.85Å; Q120-F153 HydrophobicContact CG-CE1 3.9Å; Q120-F153 HydrophobicContact CG-CZ 3.9Å
121C93.7Very high89.6Confident0 Ų047 Ų470%026%0.262CS..  trans-133.4166.3-177.262.90000110.3H116 F119 T155 C157 R160H116-C121 WeakPolarHBondContact CA-O 3.49Å; H116-C121 VanDerWaalsContact CB-O 3.28Å; H116-C121 WeakPolarHBondContact CB-O 3.23Å; H116-C121 PolarHBondContact CD2-O 2.63Å; H116-C121 PolarHBondContact O-N 2.91Å; H116-C121 VanDerWaalsContact O-N 3.15Å; F119-C121 VanDerWaalsContact C-N 3.34Å; C121-T155 CarbonylContact C-O 3.59Å; C121-T155 VanDerWaalsContact CA-O 3.31Å; C121-T155 WeakPolarHBondContact CA-O 3.39Å; C121-T155 WeakPolarHBondContact CB-O 3.27Å; C121-C157 HydrophobicContact CB-CB 3.88Å; C121-C157 WeakPolarHBondContact CB-SG 3.42Å; C121-C157 WeakPolarHBondContact SG-CA 3.25Å; C121-C157 WeakPolarHBondContact SG-CB 3.3Å; C121-C157 CovalentContact SG-SG 2.04Å; C121-C157 PolarHBondContact SG-SG 3.35Å; C121-R160 HydrophobicContact CB-CB 4.1Å; C121-R160 HydrophobicContact CB-CG 4.4Å
122C92.9Very high89.6Confident1 Ų151.3 Ų51.31%0.00729%0.29CS..  trans-137.2128.5176.7-167.40000111.5G126 P127 C138 F153 T155C122-G126 CarbonylContact O-C 3.05Å; C122-G126 WeakPolarHBondContact O-CA 3.33Å; C122-G126 PolarHBondContact O-N 3.08Å; C122-P127 HydrophobicContact CB-CB 4.26Å; C122-C138 VanDerWaalsContact CA-SG 3.53Å; C122-C138 HydrophobicContact CB-CB 3.62Å; C122-C138 WeakPolarHBondContact CB-SG 3.38Å; C122-C138 WeakPolarHBondContact SG-CB 3.22Å; C122-C138 CovalentContact SG-SG 2.03Å; C122-C138 PolarHBondContact SG-SG 2.83Å; C122-F153 HydrophobicContact CB-CB 4.2Å; C122-F153 WeakPolarHBondContact CB-O 3.25Å; C122-T155 PolarHBondContact N-O 3.36Å
123G93.6Very high89.3Confident0 Ų053.4 Ų53.40%031%0.307CS..SBendtrans65.1-171.8179.100000113.1H116 C157H116-G123 PolarHBondContact NE2-N 3.38Å; G123-C157 WeakPolarHBondContact O-CB 3.35Å; G123-C157 PolarHBondContact O-N 2.95Å; G123-C157 PolarHBondContact O-SG 3.49Å
124Y96.5Very high89Confident24 Ų2458.4 Ų58.49%0.09433%0.328CS..SBendtrans-78.6-61.8177.7173.8-104000110.4H92 L95 K96 D129 G156 C157 K158H92-Y124 HydrophobicContact CB-CE2 4.04Å; H92-Y124 AromaticContact ND1-CE2 3.91Å; H92-Y124 AromaticContact ND1-CZ 3.91Å; H92-Y124 PolarHBondContact ND1-OH 2.89Å; H92-Y124 VanDerWaalsContact ND1-OH 3.1Å; H92-Y124 WeakPolarHBondContact O-CE2 3.28Å; L95-Y124 HydrophobicContact CB-CD2 3.69Å; L95-Y124 HydrophobicContact CB-CE2 4.34Å; L95-Y124 HydrophobicContact CD1-CD2 4.28Å; K96-Y124 VanDerWaalsContact CE-CZ 3.42Å; K96-Y124 HydrophobicContact CG-CD1 4.07Å; K96-Y124 HydrophobicContact CG-CD2 3.76Å; K96-Y124 HydrophobicContact CG-CE1 4.2Å; K96-Y124 HydrophobicContact CG-CE2 3.87Å; K96-Y124 HydrophobicContact CG-CG 3.86Å; Y124-D129 VanDerWaalsContact CA-OD2 3.32Å; Y124-D129 WeakPolarHBondContact CA-OD2 3.47Å; Y124-D129 WeakPolarHBondContact CB-OD2 3.06Å; Y124-D129 PolarHBondContact N-OD2 3.01Å; Y124-G156 CarbonylContact O-C 3.58Å; Y124-G156 WeakPolarHBondContact O-CA 3.02Å; Y124-C157 PolarHBondContact O-N 3.34Å; Y124-K158 HydrophobicContact CD2-CB 3.95Å; Y124-K158 HydrophobicContact CD2-CG 4.42Å; Y124-K158 HydrophobicContact CE1-CD 3.93Å; Y124-K158 HydrophobicContact CE1-CG 4.41Å; Y124-K158 HydrophobicContact CE2-CB 3.79Å; Y124-K158 HydrophobicContact CE2-CD 4.14Å; Y124-K158 HydrophobicContact CE2-CG 3.75Å; Y124-K158 HydrophobicContact CG-CB 4.4Å; Y124-K158 WeakPolarHBondContact O-CB 3.45Å; Y124-K158 PolarHBondContact O-N 2.9Å; Y124-K158 WeakPolarHBondContact OH-CD 3.22Å; Y124-K158 WeakPolarHBondContact OH-CE 3.45Å
125N95Very high89Confident96 Ų9656.4 Ų56.451%0.51331%0.31SS..SBendtrans-90.7-23173.9-60.4-55.1000112.7D129 G156N125-D129 PolarHBondContact N-OD2 3.48Å; N125-G156 VanDerWaalsContact C-CA 3.42Å; N125-G156 WeakPolarHBondContact O-CA 3.13Å
126G92.1Very high88.7Confident3 Ų358.2 Ų58.23%0.03132%0.324CS..  trans163-178.8-17800000112.9C122 T128 D129C122-G126 CarbonylContact O-C 3.05Å; C122-G126 WeakPolarHBondContact O-CA 3.33Å; C122-G126 PolarHBondContact O-N 3.08Å; G126-T128 PolarHBondContact O-N 2.93Å; G126-T128 VanDerWaalsContact O-N 3.14Å; G126-D129 PolarHBondContact N-OD2 3.19Å; G126-D129 WeakPolarHBondContact O-CB 2.84Å; G126-D129 PolarHBondContact O-N 3.01Å; G126-D129 VanDerWaalsContact O-N 3.1Å
127P88.8Confident88.4Confident34 Ų3459 Ų5922%0.22133%0.329CS..G310 helixtrans-61.6-23.2179.824.1-33.7000113.6C122 D129 Y130 Q154C122-P127 HydrophobicContact CB-CB 4.26Å; P127-D129 PolarHBondContact O-N 3.34Å; P127-Y130 PolarHBondContact O-N 3.35Å; P127-Q154 WeakPolarHBondContact CD-O 3.5Å
128T89.4Confident88.4Confident112 Ų11254.7 Ų54.769%0.68730%0.304SS*.G310 helixtrans-64-20.3176.751.70000113.4G126 Y130 G131G126-T128 PolarHBondContact O-N 2.93Å; G126-T128 VanDerWaalsContact O-N 3.14Å; T128-Y130 PolarHBondContact O-N 3.25Å; T128-G131 PolarHBondContact O-N 2.91Å
129D91.7Very high88.3Confident34 Ų3447.9 Ų47.918%0.18227%0.271CS..G310 helixtrans-60.5-29.8176.8-69.6-29.3000111.2V99 K103 Y124 N125 G126 P127 G131V99-D129 HydrophobicContact CG1-CB 3.99Å; K103-D129 WeakPolarHBondContact CE-O 3.23Å; K103-D129 PolarHBondContact NZ-O 3.07Å; Y124-D129 VanDerWaalsContact CA-OD2 3.32Å; Y124-D129 WeakPolarHBondContact CA-OD2 3.47Å; Y124-D129 WeakPolarHBondContact CB-OD2 3.06Å; Y124-D129 PolarHBondContact N-OD2 3.01Å; N125-D129 PolarHBondContact N-OD2 3.48Å; G126-D129 PolarHBondContact N-OD2 3.19Å; G126-D129 WeakPolarHBondContact O-CB 2.84Å; G126-D129 PolarHBondContact O-N 3.01Å; G126-D129 VanDerWaalsContact O-N 3.1Å; P127-D129 PolarHBondContact O-N 3.34Å; D129-G131 VanDerWaalsContact C-N 3.31Å
130Y89Confident87.6Confident12 Ų1247.3 Ų47.35%0.04727%0.271CS..G310 helixtrans-86.22.7176.6-60.3-66.1000113.8V99 W102 K103 M112 H116 P127 T128 I132 A133 V135V99-Y130 HydrophobicContact CB-CE1 4.34Å; V99-Y130 HydrophobicContact CG1-CD1 4.31Å; V99-Y130 HydrophobicContact CG1-CE1 3.84Å; V99-Y130 HydrophobicContact CG2-CE1 4.44Å; W102-Y130 HydrophobicContact CB-CE1 4.01Å; W102-Y130 AromaticContact CD2-CD1 3.94Å; W102-Y130 HydrophobicContact CD2-CD1 3.94Å; W102-Y130 AromaticContact CD2-CE1 3.58Å; W102-Y130 HydrophobicContact CD2-CE1 3.58Å; W102-Y130 AromaticContact CE3-CD1 3.18Å; W102-Y130 HydrophobicContact CE3-CD1 3.18Å; W102-Y130 AromaticContact CE3-CE1 3.29Å; W102-Y130 HydrophobicContact CE3-CE1 3.29Å; W102-Y130 HydrophobicContact CE3-CG 4.15Å; W102-Y130 AromaticContact CG-CE1 3.89Å; W102-Y130 HydrophobicContact CG-CE1 3.89Å; W102-Y130 HydrophobicContact CH2-CD1 4.41Å; W102-Y130 AromaticContact CZ3-CD1 3.46Å; W102-Y130 HydrophobicContact CZ3-CD1 3.46Å; W102-Y130 VanDerWaalsContact CZ3-CD1 3.46Å; W102-Y130 HydrophobicContact CZ3-CE1 4.02Å; W102-Y130 HydrophobicContact CZ3-CG 4.04Å; K103-Y130 HydrophobicContact CG-CD1 4.27Å; M112-Y130 WeakPolarHBondContact CG-OH 3.48Å; H116-Y130 AromaticContact CE1-CE2 3.69Å; H116-Y130 AromaticContact CE1-CZ 3.73Å; H116-Y130 PolarHBondContact CE1-OH 2.99Å; H116-Y130 AromaticContact NE2-CE2 3.91Å; H116-Y130 PolarHBondContact NE2-OH 3.41Å; P127-Y130 PolarHBondContact O-N 3.35Å; T128-Y130 PolarHBondContact O-N 3.25Å; Y130-I132 PolarHBondContact O-N 3.09Å; Y130-A133 WeakPolarHBondContact O-CB 3.44Å; Y130-A133 PolarHBondContact O-N 2.9Å; Y130-V135 HydrophobicContact CD1-CG2 4.17Å; Y130-V135 HydrophobicContact CD2-CB 4.47Å; Y130-V135 HydrophobicContact CD2-CG2 3.38Å; Y130-V135 HydrophobicContact CE2-CG2 3.91Å; Y130-V135 HydrophobicContact CG-CG2 3.51Å
131G85.4Confident86.5Confident54 Ų5450 Ų5056%0.55729%0.289SS*.THydrogen-bonded Turntrans67-122.1-176.900000111.6T128 D129T128-G131 PolarHBondContact O-N 2.91Å; D129-G131 VanDerWaalsContact C-N 3.31Å
132I79.9Confident85.2Confident181 Ų18152 Ų5293%0.92831%0.308SS*.THydrogen-bonded Turntrans-96.1-1.7178.762.6170.6000113Y130 K134Y130-I132 PolarHBondContact O-N 3.09Å; I132-K134 PolarHBondContact O-N 2.98Å
133A80.7Confident84Confident44 Ų4458.6 Ų58.636%0.36434%0.339SS..  trans-68.2126.6-17800000109.8W102 Y130 V135W102-A133 HydrophobicContact CH2-CB 4.16Å; W102-A133 HydrophobicContact CZ3-CB 4.12Å; Y130-A133 WeakPolarHBondContact O-CB 3.44Å; Y130-A133 PolarHBondContact O-N 2.9Å; A133-V135 PolarHBondContact O-N 3.26Å
134K80.1Confident82.8Confident124 Ų12459.6 Ų59.654%0.53935%0.346SS..  trans-75.6117.2173.2177.3173.5165.1179.80108.8I132 P136 C144I132-K134 PolarHBondContact O-N 2.98Å; K134-P136 WeakPolarHBondContact O-CD 3.39Å; K134-C144 VanDerWaalsContact CE-O 3.25Å; K134-C144 WeakPolarHBondContact CE-O 3.17Å; K134-C144 PolarHBondContact NZ-O 2.79Å
135V84.9Confident81.2Confident9 Ų962 Ų626%0.05536%0.364CS..  trans-98.4106.7178.3-177.70000108.9W102 Y130 A133 S137 C138W102-V135 HydrophobicContact CH2-CB 4.18Å; W102-V135 HydrophobicContact CH2-CG1 4.43Å; W102-V135 HydrophobicContact CH2-CG2 3.34Å; W102-V135 HydrophobicContact CZ2-CB 3.92Å; W102-V135 HydrophobicContact CZ2-CG1 3.72Å; W102-V135 HydrophobicContact CZ2-CG2 3.52Å; W102-V135 HydrophobicContact CZ3-CG2 3.89Å; Y130-V135 HydrophobicContact CD1-CG2 4.17Å; Y130-V135 HydrophobicContact CD2-CB 4.47Å; Y130-V135 HydrophobicContact CD2-CG2 3.38Å; Y130-V135 HydrophobicContact CE2-CG2 3.91Å; Y130-V135 HydrophobicContact CG-CG2 3.51Å; A133-V135 PolarHBondContact O-N 3.26Å; V135-S137 VanDerWaalsContact C-N 3.27Å; V135-S137 VanDerWaalsContact CG1-OG 3.25Å; V135-S137 WeakPolarHBondContact CG1-OG 3.46Å; V135-S137 PolarHBondContact O-N 3.19Å; V135-C138 HydrophobicContact CB-CB 4.21Å; V135-C138 HydrophobicContact CG1-CB 4.28Å; V135-C138 WeakPolarHBondContact CG1-SG 3.2Å; V135-C138 PolarHBondContact O-N 3.2Å; V135-C138 VanDerWaalsContact O-N 3.14Å
136P82.9Confident79.5Confident72 Ų7266.9 Ų66.947%0.46839%0.385SS..G310 helixtrans-62.8-31.7-174.8-23.334.9000113.9K134 C138 C139K134-P136 WeakPolarHBondContact O-CD 3.39Å; P136-C138 PolarHBondContact O-N 2.78Å; P136-C139 WeakPolarHBondContact O-CB 2.96Å; P136-C139 PolarHBondContact O-N 3.4Å; P136-C139 VanDerWaalsContact O-N 3.16Å
137S84.7Confident78Confident15 Ų1574 Ų7411%0.10542%0.423CS..G310 helixtrans-70.2-16.7178.556.90000114D113 H116 V135 C139D113-S137 VanDerWaalsContact OD1-CB 3.23Å; D113-S137 WeakPolarHBondContact OD1-CB 3.45Å; D113-S137 PolarHBondContact OD1-OG 2.86Å; H116-S137 WeakPolarHBondContact CB-O 3.49Å; H116-S137 PolarHBondContact ND1-OG 3.46Å; V135-S137 VanDerWaalsContact C-N 3.27Å; V135-S137 VanDerWaalsContact CG1-OG 3.25Å; V135-S137 WeakPolarHBondContact CG1-OG 3.46Å; V135-S137 PolarHBondContact O-N 3.19Å; S137-C139 VanDerWaalsContact C-N 3.32Å
138C88.5Confident76.5Confident2 Ų277.6 Ų77.61%0.01444%0.435CS..G310 helixtrans-83.8-7.5173.2-63.80000113.3H116 C122 V135 P136 S152 F153H116-C138 PolarHBondContact ND1-SG 2.78Å; C122-C138 VanDerWaalsContact CA-SG 3.53Å; C122-C138 HydrophobicContact CB-CB 3.62Å; C122-C138 WeakPolarHBondContact CB-SG 3.38Å; C122-C138 WeakPolarHBondContact SG-CB 3.22Å; C122-C138 CovalentContact SG-SG 2.03Å; C122-C138 PolarHBondContact SG-SG 2.83Å; V135-C138 HydrophobicContact CB-CB 4.21Å; V135-C138 HydrophobicContact CG1-CB 4.28Å; V135-C138 WeakPolarHBondContact CG1-SG 3.2Å; V135-C138 PolarHBondContact O-N 3.2Å; V135-C138 VanDerWaalsContact O-N 3.14Å; P136-C138 PolarHBondContact O-N 2.78Å; C138-S152 WeakPolarHBondContact O-CA 3.18Å; C138-S152 PolarHBondContact O-OG 3.46Å; C138-F153 VanDerWaalsContact O-CD2 3.22Å; C138-F153 WeakPolarHBondContact O-CD2 3.04Å; C138-F153 WeakPolarHBondContact O-CG 3.46Å; C138-F153 PolarHBondContact O-N 2.76Å
139C85.2Confident75Confident7 Ų775.3 Ų75.35%0.04743%0.428CS..BIsolated β-bridgetrans-95.3132.5-179-51.90000110.2P136 S137 N141 G142 C144P136-C139 WeakPolarHBondContact O-CB 2.96Å; P136-C139 PolarHBondContact O-N 3.4Å; P136-C139 VanDerWaalsContact O-N 3.16Å; S137-C139 VanDerWaalsContact C-N 3.32Å; C139-N141 PolarHBondContact O-N 3.47Å; C139-G142 PolarHBondContact O-N 2.75Å; C139-C144 VanDerWaalsContact CA-SG 3.54Å; C139-C144 HydrophobicContact CB-CB 4.04Å; C139-C144 WeakPolarHBondContact CB-SG 3.5Å; C139-C144 WeakPolarHBondContact SG-CB 3.32Å; C139-C144 PolarHBondContact SG-N 3.29Å; C139-C144 VanDerWaalsContact SG-N 3.41Å; C139-C144 CovalentContact SG-SG 2.01Å; C139-C144 PolarHBondContact SG-SG 3.27Å
140L73.9Confident73.5Confident68 Ų6881.7 Ų81.736%0.35646%0.461SS..G310 helixtrans-60.3132.8166.8-7697.9000109.1G142 L151 F153L140-G142 PolarHBondContact O-N 3.45Å; L140-G142 VanDerWaalsContact O-N 3.1Å; L140-L151 HydrophobicContact CB-CD2 4.22Å; L140-L151 HydrophobicContact CB-CG 4.04Å; L140-L151 WeakPolarHBondContact CD1-O 3.46Å; L140-L151 PolarHBondContact N-O 3.1Å; L140-F153 HydrophobicContact CD1-CD1 3.93Å; L140-F153 HydrophobicContact CD1-CE1 3.46Å; L140-F153 VanDerWaalsContact CD1-CE1 3.46Å; L140-F153 HydrophobicContact CD1-CZ 4.12Å; L140-F153 HydrophobicContact CD2-CE1 4.49Å; L140-F153 HydrophobicContact CG-CE1 3.71Å; L140-F153 HydrophobicContact CG-CZ 3.94Å
141N68.6Low72.6Confident159 Ų15984.2 Ų84.285%0.8548%0.475SS*.G310 helixtrans58.414.7-176.5-57.6-22.1000115.7C139 E143C139-N141 PolarHBondContact O-N 3.47Å; N141-E143 VanDerWaalsContact C-N 3.27Å; N141-E143 PolarHBondContact O-N 3.36Å
142G66.1Low72.3Confident40 Ų4082.7 Ų82.741%0.41246%0.456SS..G310 helixtrans78.9-0.3177.600000115.5C139 L140C139-G142 PolarHBondContact O-N 2.75Å; L140-G142 PolarHBondContact O-N 3.45Å; L140-G142 VanDerWaalsContact O-N 3.1Å
143E66.8Low72.6Confident140 Ų14075.4 Ų75.465%0.65442%0.417SS*.  trans-114.789.8-175.5-69.3-177.3167.500111.9N141N141-E143 VanDerWaalsContact C-N 3.27Å; N141-E143 PolarHBondContact O-N 3.36Å
144C69.2Low72.9Confident21 Ų2178.8 Ų78.814%0.14243%0.426CS..  trans-89.2104.2159.7-63.10000109.4K134 C139K134-C144 VanDerWaalsContact CE-O 3.25Å; K134-C144 WeakPolarHBondContact CE-O 3.17Å; K134-C144 PolarHBondContact NZ-O 2.79Å; C139-C144 VanDerWaalsContact CA-SG 3.54Å; C139-C144 HydrophobicContact CB-CB 4.04Å; C139-C144 WeakPolarHBondContact CB-SG 3.5Å; C139-C144 WeakPolarHBondContact SG-CB 3.32Å; C139-C144 PolarHBondContact SG-N 3.29Å; C139-C144 VanDerWaalsContact SG-N 3.41Å; C139-C144 CovalentContact SG-SG 2.01Å; C139-C144 PolarHBondContact SG-SG 3.27Å
145T62.2Low73.5Confident76 Ų7675.5 Ų75.547%0.46642%0.416SS..  trans-85.5155.3163.2550000109.4D147 F148T145-D147 PolarHBondContact O-N 2.72Å; T145-D147 VanDerWaalsContact O-N 3.15Å; T145-F148 PolarHBondContact O-N 3.44Å; T145-F148 WeakPolarHBondContact OG1-CD2 3.36Å
146M59.3Low73.9Confident197 Ų19775.1 Ų75.197%0.9741%0.414SS*.THydrogen-bonded Turntrans-58.3-26.7-179.8-65.6-70.7-77.300112.6F148M146-F148 VanDerWaalsContact C-N 3.34Å
147D61Low74.5Confident153 Ų15371.7 Ų71.782%0.81839%0.392SS*.THydrogen-bonded Turntrans-76-17.9176.1-109.9-16.9000113.6T145T145-D147 PolarHBondContact O-N 2.72Å; T145-D147 VanDerWaalsContact O-N 3.15Å
148F56.6Low75.1Confident110 Ų11074.3 Ų74.348%0.48240%0.401SS..  trans-120.353-169.5-75-95.2000112.3T145 M146 L150 L151T145-F148 PolarHBondContact O-N 3.44Å; T145-F148 WeakPolarHBondContact OG1-CD2 3.36Å; M146-F148 VanDerWaalsContact C-N 3.34Å; F148-L150 PolarHBondContact O-N 2.7Å; F148-L151 HydrophobicContact CB-CB 4.28Å; F148-L151 PolarHBondContact O-N 2.71Å
149A58.8Low75.3Confident64 Ų6480.2 Ų80.253%0.52943%0.429SS..G310 helixtrans-55.1-21166.500000113L151 S152 Q154A149-L151 VanDerWaalsContact C-N 3.26Å; A149-L151 PolarHBondContact O-N 3.44Å; A149-S152 PolarHBondContact O-N 2.85Å; A149-Q154 PolarHBondContact O-NE2 2.9Å
150L59.9Low75.7Confident168 Ų16884.4 Ų84.488%0.8844%0.444SS*.G310 helixtrans-69-18.5174.4-61.3180000114F148F148-L150 PolarHBondContact O-N 2.7Å
151L69.6Low76.6Confident64 Ų6482 Ų8234%0.33543%0.431SS..G310 helixtrans-95.45.2-179.6-132.383.1000113.4L140 F148 A149L140-L151 HydrophobicContact CB-CD2 4.22Å; L140-L151 HydrophobicContact CB-CG 4.04Å; L140-L151 WeakPolarHBondContact CD1-O 3.46Å; L140-L151 PolarHBondContact N-O 3.1Å; F148-L151 HydrophobicContact CB-CB 4.28Å; F148-L151 PolarHBondContact O-N 2.71Å; A149-L151 VanDerWaalsContact C-N 3.26Å; A149-L151 PolarHBondContact O-N 3.44Å
152S79.3Confident77.7Confident23 Ų2376 Ų7616%0.16140%0.399CS..BIsolated β-bridgetrans-103.4141.5178.7-169.80000110.8C138 A149 Q154C138-S152 WeakPolarHBondContact O-CA 3.18Å; C138-S152 PolarHBondContact O-OG 3.46Å; A149-S152 PolarHBondContact O-N 2.85Å; S152-Q154 PolarHBondContact O-N 3.26Å; S152-Q154 VanDerWaalsContact O-N 3.12Å
153F86.7Confident78.9Confident27 Ų2778.6 Ų78.612%0.11840%0.403CS..  trans-66.7109.9172.7-56.1-47.4000109.8Q120 C122 C138 L140Q120-F153 VanDerWaalsContact C-CG 3.47Å; Q120-F153 HydrophobicContact CB-CD1 3.87Å; Q120-F153 HydrophobicContact CB-CE1 3.53Å; Q120-F153 HydrophobicContact CB-CE2 4.4Å; Q120-F153 HydrophobicContact CB-CG 4.45Å; Q120-F153 HydrophobicContact CB-CZ 3.85Å; Q120-F153 HydrophobicContact CG-CE1 3.9Å; Q120-F153 HydrophobicContact CG-CZ 3.9Å; C122-F153 HydrophobicContact CB-CB 4.2Å; C122-F153 WeakPolarHBondContact CB-O 3.25Å; C138-F153 VanDerWaalsContact O-CD2 3.22Å; C138-F153 WeakPolarHBondContact O-CD2 3.04Å; C138-F153 WeakPolarHBondContact O-CG 3.46Å; C138-F153 PolarHBondContact O-N 2.76Å; L140-F153 HydrophobicContact CD1-CD1 3.93Å; L140-F153 HydrophobicContact CD1-CE1 3.46Å; L140-F153 VanDerWaalsContact CD1-CE1 3.46Å; L140-F153 HydrophobicContact CD1-CZ 4.12Å; L140-F153 HydrophobicContact CD2-CE1 4.49Å; L140-F153 HydrophobicContact CG-CE1 3.71Å; L140-F153 HydrophobicContact CG-CZ 3.94Å
154Q86.7Confident79.9Confident115 Ų11573.9 Ų73.954%0.53738%0.382SS..  trans-85.9-23.2-179.9-65-63.7-25.800112.8P127 A149 S152P127-Q154 WeakPolarHBondContact CD-O 3.5Å; A149-Q154 PolarHBondContact O-NE2 2.9Å; S152-Q154 PolarHBondContact O-N 3.26Å; S152-Q154 VanDerWaalsContact O-N 3.12Å
155T91.9Very high80.7Confident56 Ų5675.1 Ų75.134%0.34439%0.386SS..SBendtrans-79.1132-177-49.50000111C121 C122 E159C121-T155 CarbonylContact C-O 3.59Å; C121-T155 VanDerWaalsContact CA-O 3.31Å; C121-T155 WeakPolarHBondContact CA-O 3.39Å; C121-T155 WeakPolarHBondContact CB-O 3.27Å; C122-T155 PolarHBondContact N-O 3.36Å; T155-E159 HydrophobicContact CG2-CB 4.14Å; T155-E159 HydrophobicContact CG2-CG 4.26Å
156G94.5Very high81.8Confident1 Ų178.7 Ų78.71%0.0140%0.397CS..  trans-64.4144.1172.900000112.6Y124 N125 K158 E159 R160Y124-G156 CarbonylContact O-C 3.58Å; Y124-G156 WeakPolarHBondContact O-CA 3.02Å; N125-G156 VanDerWaalsContact C-CA 3.42Å; N125-G156 WeakPolarHBondContact O-CA 3.13Å; G156-K158 PolarHBondContact O-N 3.1Å; G156-E159 PolarHBondContact O-N 3.43Å; G156-R160 PolarHBondContact O-N 2.89Å; G156-R160 VanDerWaalsContact O-N 3.1Å
157C95.5Very high83.1Confident0 Ų072.1 Ų72.10%037%0.366CS..Hα-helixtrans-63.6-28.8178.2-64.40000112.5L95 M112 I115 C121 G123 Y124 R160 I161L95-C157 HydrophobicContact CD1-CB 4.38Å; L95-C157 HydrophobicContact CD2-CB 4.04Å; M112-C157 HydrophobicContact CE-CB 4.46Å; I115-C157 HydrophobicContact CG2-CB 4.36Å; C121-C157 HydrophobicContact CB-CB 3.88Å; C121-C157 WeakPolarHBondContact CB-SG 3.42Å; C121-C157 WeakPolarHBondContact SG-CA 3.25Å; C121-C157 WeakPolarHBondContact SG-CB 3.3Å; C121-C157 CovalentContact SG-SG 2.04Å; C121-C157 PolarHBondContact SG-SG 3.35Å; G123-C157 WeakPolarHBondContact O-CB 3.35Å; G123-C157 PolarHBondContact O-N 2.95Å; G123-C157 PolarHBondContact O-SG 3.49Å; Y124-C157 PolarHBondContact O-N 3.34Å; C157-R160 PolarHBondContact O-N 3.13Å; C157-I161 VanDerWaalsContact O-CB 3.25Å; C157-I161 WeakPolarHBondContact O-CB 3.42Å; C157-I161 VanDerWaalsContact O-CG1 3.3Å; C157-I161 WeakPolarHBondContact O-CG1 3.3Å; C157-I161 PolarHBondContact O-N 3.15Å
158K96Very high84.2Confident69 Ų6970.9 Ų70.930%0.335%0.354SS..Hα-helixtrans-56.2-54.5171.4-174.2-152.7175.2-172.90111.4H92 Y124 G156 R160 I161 D162H92-K158 WeakPolarHBondContact CE1-CE 3.41Å; H92-K158 WeakPolarHBondContact CE1-CG 3.06Å; H92-K158 WeakPolarHBondContact ND1-CG 3.49Å; Y124-K158 HydrophobicContact CD2-CB 3.95Å; Y124-K158 HydrophobicContact CD2-CG 4.42Å; Y124-K158 HydrophobicContact CE1-CD 3.93Å; Y124-K158 HydrophobicContact CE1-CG 4.41Å; Y124-K158 HydrophobicContact CE2-CB 3.79Å; Y124-K158 HydrophobicContact CE2-CD 4.14Å; Y124-K158 HydrophobicContact CE2-CG 3.75Å; Y124-K158 HydrophobicContact CG-CB 4.4Å; Y124-K158 WeakPolarHBondContact O-CB 3.45Å; Y124-K158 PolarHBondContact O-N 2.9Å; Y124-K158 WeakPolarHBondContact OH-CD 3.22Å; Y124-K158 WeakPolarHBondContact OH-CE 3.45Å; G156-K158 PolarHBondContact O-N 3.1Å; K158-R160 VanDerWaalsContact C-N 3.33Å; K158-R160 PolarHBondContact O-N 2.78Å; K158-I161 PolarHBondContact O-N 3.46Å; K158-D162 WeakPolarHBondContact O-CB 3.44Å; K158-D162 VanDerWaalsContact O-CG 3.26Å; K158-D162 PolarHBondContact O-N 3.03Å
159E94.7Very high85.6Confident127 Ų12770.1 Ų70.159%0.59335%0.354SS*.Hα-helixtrans-64-41.3-178.6-176.5-179.8174.400111.2T155 G156 D162 N163T155-E159 HydrophobicContact CG2-CB 4.14Å; T155-E159 HydrophobicContact CG2-CG 4.26Å; G156-E159 PolarHBondContact O-N 3.43Å; E159-D162 PolarHBondContact O-N 3.43Å; E159-N163 VanDerWaalsContact O-CB 3.28Å; E159-N163 WeakPolarHBondContact O-CB 3.24Å; E159-N163 PolarHBondContact O-N 3.13Å
160R92.6Very high86.9Confident95 Ų9570.8 Ų70.836%0.35835%0.348SS..Hα-helixtrans-63.3-46.2179.2-166.263.4166.6174.21.1112F119 C121 G156 C157 K158 N163 I164F119-R160 HydrophobicContact CB-CG 4.22Å; F119-R160 WeakPolarHBondContact O-CG 3.41Å; F119-R160 PolarHBondContact O-NE 3.29Å; C121-R160 HydrophobicContact CB-CB 4.1Å; C121-R160 HydrophobicContact CB-CG 4.4Å; G156-R160 PolarHBondContact O-N 2.89Å; G156-R160 VanDerWaalsContact O-N 3.1Å; C157-R160 PolarHBondContact O-N 3.13Å; K158-R160 VanDerWaalsContact C-N 3.33Å; K158-R160 PolarHBondContact O-N 2.78Å; R160-N163 PolarHBondContact O-N 3.41Å; R160-I164 WeakPolarHBondContact O-CG1 3.33Å; R160-I164 PolarHBondContact O-N 3.27Å; R160-I164 VanDerWaalsContact O-N 3.15Å
161I91.7Very high88.2Confident17 Ų1765.7 Ų65.79%0.08732%0.321CS..Hα-helixtrans-69.5-41.8177.3-72.9165.4000110.6I91 L95 C157 K158 N163 I164 M165I91-I161 HydrophobicContact CG2-CD1 4.17Å; I91-I161 HydrophobicContact CG2-CG2 3.83Å; L95-I161 HydrophobicContact CD1-CD1 3.66Å; L95-I161 HydrophobicContact CD2-CD1 3.87Å; L95-I161 HydrophobicContact CG-CD1 4.21Å; C157-I161 VanDerWaalsContact O-CB 3.25Å; C157-I161 WeakPolarHBondContact O-CB 3.42Å; C157-I161 VanDerWaalsContact O-CG1 3.3Å; C157-I161 WeakPolarHBondContact O-CG1 3.3Å; C157-I161 PolarHBondContact O-N 3.15Å; K158-I161 PolarHBondContact O-N 3.46Å; I161-N163 VanDerWaalsContact C-N 3.27Å; I161-N163 PolarHBondContact O-N 2.81Å; I161-I164 PolarHBondContact O-N 3.16Å; I161-I164 VanDerWaalsContact O-N 3.13Å; I161-M165 HydrophobicContact CG2-CG 4.18Å; I161-M165 WeakPolarHBondContact O-CB 3.41Å; I161-M165 VanDerWaalsContact O-CG 3.31Å; I161-M165 WeakPolarHBondContact O-CG 3.28Å; I161-M165 PolarHBondContact O-N 2.85Å
162D92.3Very high89.1Confident34 Ų3465.3 Ų65.318%0.18232%0.323CS..Hα-helixtrans-58.3-41.6176.2-85.5-27.2000111.2R88 H92 K158 E159 M165 H166R88-D162 WeakPolarHBondContact CD-OD1 3.37Å; R88-D162 IonicContact CZ-OD1 3.92Å; R88-D162 IonicContact NE-OD1 2.63Å; R88-D162 IonicContact NH1-OD1 3.66Å; R88-D162 PolarHBondContact NH1-OD1 2.96Å; H92-D162 IonicContact CE1-OD1 2.7Å; H92-D162 PolarHBondContact CE1-OD1 3.28Å; H92-D162 IonicContact CE1-OD2 3.49Å; H92-D162 PolarHBondContact CE1-OD2 3.31Å; H92-D162 VanDerWaalsContact CE1-OD2 3.26Å; H92-D162 IonicContact NE2-OD1 3.34Å; H92-D162 PolarHBondContact NE2-OD1 3.14Å; H92-D162 IonicContact NE2-OD2 3.36Å; K158-D162 WeakPolarHBondContact O-CB 3.44Å; K158-D162 VanDerWaalsContact O-CG 3.26Å; K158-D162 PolarHBondContact O-N 3.03Å; E159-D162 PolarHBondContact O-N 3.43Å; D162-M165 PolarHBondContact O-N 3.27Å; D162-H166 WeakPolarHBondContact O-CB 3.37Å; D162-H166 PolarHBondContact O-N 3.24Å
163N91.5Very high89.6Confident94 Ų9469.2 Ų69.250%0.50334%0.341SS..Hα-helixtrans-65.5-39.5176.3-175.253.7000112.4E159 R160 I161 H166 N167E159-N163 VanDerWaalsContact O-CB 3.28Å; E159-N163 WeakPolarHBondContact O-CB 3.24Å; E159-N163 PolarHBondContact O-N 3.13Å; R160-N163 PolarHBondContact O-N 3.41Å; I161-N163 VanDerWaalsContact C-N 3.27Å; I161-N163 PolarHBondContact O-N 2.81Å; N163-H166 PolarHBondContact O-N 3.24Å; N163-N167 WeakPolarHBondContact O-CB 3.36Å; N163-N167 PolarHBondContact O-N 3.04Å
164I87.9Confident89.7Confident41 Ų4170.7 Ų70.721%0.2136%0.355CS..Hα-helixtrans-65.1-44.2173.9-67.9165.5000110.7F119 R160 I161 H166 N167 I170 I171F119-I164 HydrophobicContact CD1-CD1 3.54Å; F119-I164 HydrophobicContact CE1-CD1 3.65Å; R160-I164 WeakPolarHBondContact O-CG1 3.33Å; R160-I164 PolarHBondContact O-N 3.27Å; R160-I164 VanDerWaalsContact O-N 3.15Å; I161-I164 PolarHBondContact O-N 3.16Å; I161-I164 VanDerWaalsContact O-N 3.13Å; I164-H166 VanDerWaalsContact C-N 3.34Å; I164-N167 CarbonylContact O-C 3.46Å; I164-N167 PolarHBondContact O-N 3.37Å; I164-I170 HydrophobicContact CG2-CG2 4.3Å; I164-I171 HydrophobicContact CG2-CG1 4.39Å
165M85.5Confident89.8Confident46 Ų4667.6 Ų67.623%0.22734%0.344CS..Hα-helixtrans-66.9-35.1177.7-70.2-66.1-69.300112.5I161 D162 I171I161-M165 HydrophobicContact CG2-CG 4.18Å; I161-M165 WeakPolarHBondContact O-CB 3.41Å; I161-M165 VanDerWaalsContact O-CG 3.31Å; I161-M165 WeakPolarHBondContact O-CG 3.28Å; I161-M165 PolarHBondContact O-N 2.85Å; D162-M165 PolarHBondContact O-N 3.27Å; M165-I171 HydrophobicContact SD-CD1 3.57Å; M165-I171 VanDerWaalsContact SD-CD1 3.57Å
166H86.1Confident89.9Confident151 Ų15169.6 Ų69.670%0.69935%0.351SS*.Hα-helixtrans-72.3-37.6177-159.680000111.2D162 N163 I164 F168D162-H166 WeakPolarHBondContact O-CB 3.37Å; D162-H166 PolarHBondContact O-N 3.24Å; N163-H166 PolarHBondContact O-N 3.24Å; I164-H166 VanDerWaalsContact C-N 3.34Å; H166-F168 VanDerWaalsContact C-N 3.26Å; H166-F168 PolarHBondContact O-N 3.45Å
167N87.1Confident89.9Confident59 Ų5972.8 Ų72.832%0.31637%0.371SS..  trans-80.375.1174.4-165.120.1000111.2N163 I164 L169 I170N163-N167 WeakPolarHBondContact O-CB 3.36Å; N163-N167 PolarHBondContact O-N 3.04Å; I164-N167 CarbonylContact O-C 3.46Å; I164-N167 PolarHBondContact O-N 3.37Å; N167-L169 PolarHBondContact O-N 3.17Å; N167-I170 HydrophobicContact CB-CD1 4.17Å; N167-I170 HydrophobicContact CB-CG1 4.48Å; N167-I170 WeakPolarHBondContact ND2-CD1 3.32Å; N167-I170 VanDerWaalsContact ND2-CG1 3.32Å; N167-I170 WeakPolarHBondContact ND2-CG1 3.43Å; N167-I170 PolarHBondContact O-N 3.42Å
168F82.8Confident89.7Confident127 Ų12776.9 Ų76.956%0.55739%0.392SS*.Hα-helixtrans-48.5-29.4179.871.9-89.2000113.1H166 I170 I171 C172H166-F168 VanDerWaalsContact C-N 3.26Å; H166-F168 PolarHBondContact O-N 3.45Å; F168-I170 VanDerWaalsContact C-N 3.34Å; F168-I170 PolarHBondContact O-N 3.1Å; F168-I171 PolarHBondContact O-N 3.37Å; F168-C172 WeakPolarHBondContact O-CB 3.07Å; F168-C172 PolarHBondContact O-N 3.4Å; F168-C172 PolarHBondContact O-SG 3.35Å
169L85.5Confident89.5Confident94 Ų9474.6 Ų74.649%0.49239%0.386SS..Hα-helixtrans-57.3-41.5176.2-68.9172.4000113N167 C172 I173N167-L169 PolarHBondContact O-N 3.17Å; L169-C172 PolarHBondContact O-N 3.45Å; L169-I173 WeakPolarHBondContact O-CB 3.4Å; L169-I173 VanDerWaalsContact O-CD1 3.32Å; L169-I173 WeakPolarHBondContact O-CD1 3.18Å; L169-I173 WeakPolarHBondContact O-CG1 3.31Å; L169-I173 PolarHBondContact O-N 3.49Å
170I87.8Confident89.6Confident79 Ų7973.1 Ų73.141%0.40538%0.382SS..Hα-helixtrans-65.5-45-179.3-69.9170.2000110.4I164 N167 F168 I173 S174I164-I170 HydrophobicContact CG2-CG2 4.3Å; N167-I170 HydrophobicContact CB-CD1 4.17Å; N167-I170 HydrophobicContact CB-CG1 4.48Å; N167-I170 WeakPolarHBondContact ND2-CD1 3.32Å; N167-I170 VanDerWaalsContact ND2-CG1 3.32Å; N167-I170 WeakPolarHBondContact ND2-CG1 3.43Å; N167-I170 PolarHBondContact O-N 3.42Å; F168-I170 VanDerWaalsContact C-N 3.34Å; F168-I170 PolarHBondContact O-N 3.1Å; I170-I173 PolarHBondContact O-N 3.46Å; I170-S174 PolarHBondContact O-N 3.03Å; I170-S174 VanDerWaalsContact O-N 3.08Å
171I86Confident89.7Confident60 Ų6074 Ų7431%0.30839%0.392SS..Hα-helixtrans-67-43.3179.2-63173.4000110.5I164 M165 F168 I173 S174 V175I164-I171 HydrophobicContact CG2-CG1 4.39Å; M165-I171 HydrophobicContact SD-CD1 3.57Å; M165-I171 VanDerWaalsContact SD-CD1 3.57Å; F168-I171 PolarHBondContact O-N 3.37Å; I171-I173 VanDerWaalsContact C-N 3.31Å; I171-I173 PolarHBondContact O-N 3.21Å; I171-S174 PolarHBondContact O-N 3.15Å; I171-S174 PolarHBondContact O-OG 3.49Å; I171-V175 WeakPolarHBondContact O-CG2 3.43Å; I171-V175 PolarHBondContact O-N 2.7Å; I171-V175 VanDerWaalsContact O-N 3.12Å
172C88.3Confident89.8Confident57 Ų5774.5 Ų74.539%0.38539%0.394SS..Hα-helixtrans-60.8-41.6175.5-70.30000111.3F168 L169 S174 V175 I176F168-C172 WeakPolarHBondContact O-CB 3.07Å; F168-C172 PolarHBondContact O-N 3.4Å; F168-C172 PolarHBondContact O-SG 3.35Å; L169-C172 PolarHBondContact O-N 3.45Å; C172-S174 PolarHBondContact O-N 3.4Å; C172-V175 PolarHBondContact O-N 2.6Å; C172-I176 HydrophobicContact CB-CD1 4.42Å; C172-I176 VanDerWaalsContact O-CB 3.29Å; C172-I176 WeakPolarHBondContact O-CB 3.14Å; C172-I176 WeakPolarHBondContact O-CD1 3.36Å; C172-I176 WeakPolarHBondContact O-CG1 3.02Å; C172-I176 PolarHBondContact O-N 2.93Å
173I91.5Very high89.9Confident104 Ų10476.6 Ų76.653%0.53341%0.405SS..Hα-helixtrans-62-43.2177.5-71.9162.7000111L169 I170 I171 I176 T177L169-I173 WeakPolarHBondContact O-CB 3.4Å; L169-I173 VanDerWaalsContact O-CD1 3.32Å; L169-I173 WeakPolarHBondContact O-CD1 3.18Å; L169-I173 WeakPolarHBondContact O-CG1 3.31Å; L169-I173 PolarHBondContact O-N 3.49Å; I170-I173 PolarHBondContact O-N 3.46Å; I171-I173 VanDerWaalsContact C-N 3.31Å; I171-I173 PolarHBondContact O-N 3.21Å; I173-I176 PolarHBondContact O-N 3.23Å; I173-T177 WeakPolarHBondContact O-CB 3.18Å; I173-T177 PolarHBondContact O-N 2.71Å; I173-T177 PolarHBondContact O-OG1 2.76Å
174S88.1Confident90.1Very high59 Ų5976.4 Ų76.441%0.41340%0.403SS..Hα-helixtrans-65.1-44.9-179.663.80000112.1I170 I171 C172 T177 I178I170-S174 PolarHBondContact O-N 3.03Å; I170-S174 VanDerWaalsContact O-N 3.08Å; I171-S174 PolarHBondContact O-N 3.15Å; I171-S174 PolarHBondContact O-OG 3.49Å; C172-S174 PolarHBondContact O-N 3.4Å; S174-T177 PolarHBondContact O-N 3.42Å; S174-I178 WeakPolarHBondContact O-CG1 2.8Å; S174-I178 PolarHBondContact O-N 3.1Å
175V89.1Confident90.4Very high49 Ų4975.2 Ų75.230%0.29740%0.401SS..Hα-helixtrans-64.8-46.4176.5177.30000111.1E73 I171 C172 T177 I178 A179E73-V175 HydrophobicContact CG-CG1 4.32Å; I171-V175 WeakPolarHBondContact O-CG2 3.43Å; I171-V175 PolarHBondContact O-N 2.7Å; I171-V175 VanDerWaalsContact O-N 3.12Å; C172-V175 PolarHBondContact O-N 2.6Å; V175-T177 VanDerWaalsContact C-N 3.26Å; V175-T177 PolarHBondContact O-N 3.18Å; V175-I178 PolarHBondContact O-N 3.27Å; V175-A179 WeakPolarHBondContact O-CB 3.28Å; V175-A179 PolarHBondContact O-N 2.94Å
176I92.7Very high90.8Very high98 Ų9873.6 Ų73.650%0.50339%0.393SS..Hα-helixtrans-60.9-38.3178.7-69.1165000111C172 I173 L180C172-I176 HydrophobicContact CB-CD1 4.42Å; C172-I176 VanDerWaalsContact O-CB 3.29Å; C172-I176 WeakPolarHBondContact O-CB 3.14Å; C172-I176 WeakPolarHBondContact O-CD1 3.36Å; C172-I176 WeakPolarHBondContact O-CG1 3.02Å; C172-I176 PolarHBondContact O-N 2.93Å; I173-I176 PolarHBondContact O-N 3.23Å; I176-L180 HydrophobicContact CG2-CD1 3.96Å; I176-L180 HydrophobicContact CG2-CG 4.28Å; I176-L180 WeakPolarHBondContact O-CB 3.25Å; I176-L180 WeakPolarHBondContact O-CG 3.23Å; I176-L180 PolarHBondContact O-N 3.27Å
177T94.3Very high91.2Very high69 Ų6970.9 Ų70.942%0.42338%0.382SS..Hα-helixtrans-64.5-43.7179.7-57.30000111.9I173 S174 V175 L180 I181I173-T177 WeakPolarHBondContact O-CB 3.18Å; I173-T177 PolarHBondContact O-N 2.71Å; I173-T177 PolarHBondContact O-OG1 2.76Å; S174-T177 PolarHBondContact O-N 3.42Å; V175-T177 VanDerWaalsContact C-N 3.26Å; V175-T177 PolarHBondContact O-N 3.18Å; T177-L180 PolarHBondContact O-N 3.27Å; T177-I181 HydrophobicContact CG2-CD1 4.28Å; T177-I181 WeakPolarHBondContact O-CG1 3.47Å; T177-I181 PolarHBondContact O-N 2.9Å; T177-I181 VanDerWaalsContact O-N 3.14Å
178I91.8Very high91.4Very high85 Ų8574.3 Ų74.344%0.43640%0.395SS..Hα-helixtrans-65.1-49.9178.1-65.7165.9000109.7E73 S174 V175 L180 I181 E182E73-I178 WeakPolarHBondContact OE1-CB 3.42Å; E73-I178 VanDerWaalsContact OE1-CG2 3.29Å; E73-I178 WeakPolarHBondContact OE1-CG2 3.47Å; S174-I178 WeakPolarHBondContact O-CG1 2.8Å; S174-I178 PolarHBondContact O-N 3.1Å; V175-I178 PolarHBondContact O-N 3.27Å; I178-L180 VanDerWaalsContact C-N 3.26Å; I178-L180 PolarHBondContact O-N 2.04Å; I178-I181 WeakPolarHBondContact O-CB 3.4Å; I178-I181 PolarHBondContact O-N 3.15Å; I178-E182 PolarHBondContact O-N 3.37Å
179A93.2Very high91.9Very high22 Ų2268.4 Ų68.418%0.18237%0.369CS..Hα-helixtrans-53.9-38.8175.200000113.4F70 E73 V175 L183F70-A179 HydrophobicContact CE2-CB 4.11Å; E73-A179 PolarHBondContact OE1-N 2.91Å; E73-A179 VanDerWaalsContact OE2-CA 3.28Å; E73-A179 WeakPolarHBondContact OE2-CA 3.42Å; E73-A179 PolarHBondContact OE2-N 2.95Å; V175-A179 WeakPolarHBondContact O-CB 3.28Å; V175-A179 PolarHBondContact O-N 2.94Å; A179-L183 WeakPolarHBondContact O-CB 3.42Å; A179-L183 PolarHBondContact O-N 2.95Å
180L95.6Very high92.1Very high95 Ų9568.4 Ų68.450%0.49737%0.368SS..Hα-helixtrans-68.2-40176.2-75.1174.3000112.6I176 T177 I178 E182 L183 I184I176-L180 HydrophobicContact CG2-CD1 3.96Å; I176-L180 HydrophobicContact CG2-CG 4.28Å; I176-L180 WeakPolarHBondContact O-CB 3.25Å; I176-L180 WeakPolarHBondContact O-CG 3.23Å; I176-L180 PolarHBondContact O-N 3.27Å; T177-L180 PolarHBondContact O-N 3.27Å; I178-L180 VanDerWaalsContact C-N 3.26Å; I178-L180 PolarHBondContact O-N 2.04Å; L180-E182 VanDerWaalsContact C-N 3.32Å; L180-L183 PolarHBondContact O-N 2.96Å; L180-I184 VanDerWaalsContact O-CG1 3.26Å; L180-I184 WeakPolarHBondContact O-CG1 3.2Å; L180-I184 PolarHBondContact O-N 3.11Å
181I94.8Very high92.3Very high113 Ų11368.2 Ų68.258%0.57937%0.371SS*.Hα-helixtrans-62.6-42.8176.2-68.1165.5000110.2T177 I178 I184 G185T177-I181 HydrophobicContact CG2-CD1 4.28Å; T177-I181 WeakPolarHBondContact O-CG1 3.47Å; T177-I181 PolarHBondContact O-N 2.9Å; T177-I181 VanDerWaalsContact O-N 3.14Å; I178-I181 WeakPolarHBondContact O-CB 3.4Å; I178-I181 PolarHBondContact O-N 3.15Å; I181-I184 PolarHBondContact O-N 3.02Å; I181-G185 PolarHBondContact O-N 2.92Å; I181-G185 VanDerWaalsContact O-N 3.13Å
182E93.5Very high92.4Very high29 Ų2967.9 Ų67.914%0.13637%0.369CS..Hα-helixtrans-66-42.8176.7-66.7-173.5-178.300112.2I69 F70 I178 L180 I184 G185 L186I69-E182 WeakPolarHBondContact CG2-OE1 3.29Å; F70-E182 WeakPolarHBondContact CA-OE2 3.33Å; F70-E182 PolarHBondContact N-OE2 2.93Å; I178-E182 PolarHBondContact O-N 3.37Å; L180-E182 VanDerWaalsContact C-N 3.32Å; E182-I184 VanDerWaalsContact C-N 3.28Å; E182-I184 PolarHBondContact O-N 3.5Å; E182-G185 CarbonylContact O-C 3.52Å; E182-G185 WeakPolarHBondContact O-CA 3.38Å; E182-G185 PolarHBondContact O-N 3.33Å; E182-L186 WeakPolarHBondContact O-CG 3.42Å; E182-L186 PolarHBondContact O-N 2.96Å
183L95.1Very high92.3Very high77 Ų7767.6 Ų67.640%0.40337%0.368SS..Hα-helixtrans-59.1-40.8176.4-173.768.6000111.6A179 L180 G185 L186 I187A179-L183 WeakPolarHBondContact O-CB 3.42Å; A179-L183 PolarHBondContact O-N 2.95Å; L180-L183 PolarHBondContact O-N 2.96Å; L183-G185 VanDerWaalsContact C-N 3.34Å; L183-L186 PolarHBondContact O-N 2.69Å; L183-I187 HydrophobicContact CG-CD1 4.12Å; L183-I187 VanDerWaalsContact O-CG1 3.26Å; L183-I187 WeakPolarHBondContact O-CG1 3.35Å; L183-I187 PolarHBondContact O-N 3.25Å
184I95.3Very high92.1Very high91 Ų9167 Ų6747%0.46737%0.372SS..Hα-helixtrans-60.4-45.4173.5-69.9165.2000110.3L180 I181 E182 L186 I187 F188L180-I184 VanDerWaalsContact O-CG1 3.26Å; L180-I184 WeakPolarHBondContact O-CG1 3.2Å; L180-I184 PolarHBondContact O-N 3.11Å; I181-I184 PolarHBondContact O-N 3.02Å; E182-I184 VanDerWaalsContact C-N 3.28Å; E182-I184 PolarHBondContact O-N 3.5Å; I184-L186 VanDerWaalsContact C-N 3.34Å; I184-L186 PolarHBondContact O-N 3.38Å; I184-I187 PolarHBondContact O-N 3.17Å; I184-F188 HydrophobicContact CG2-CD2 3.56Å; I184-F188 HydrophobicContact CG2-CE2 3.34Å; I184-F188 WeakPolarHBondContact O-CD2 3.29Å; I184-F188 PolarHBondContact O-N 3.11Å
185G93.7Very high92.1Very high15 Ų1567 Ų6716%0.15538%0.375CS..Hα-helixtrans-57.9-42.3174.500000113.2I181 E182 L183 F188 A189I181-G185 PolarHBondContact O-N 2.92Å; I181-G185 VanDerWaalsContact O-N 3.13Å; E182-G185 CarbonylContact O-C 3.52Å; E182-G185 WeakPolarHBondContact O-CA 3.38Å; E182-G185 PolarHBondContact O-N 3.33Å; L183-G185 VanDerWaalsContact C-N 3.34Å; G185-F188 PolarHBondContact O-N 3.4Å; G185-A189 WeakPolarHBondContact O-CB 3.49Å; G185-A189 PolarHBondContact O-N 2.55Å
186L94.6Very high91.8Very high12 Ų1265.2 Ų65.26%0.06336%0.364CS..Hα-helixtrans-65.5-42.6176.2-70.5169.1000112.2F63 L66 L67 E182 L183 I184 A189 M190F63-L186 HydrophobicContact CD2-CD2 3.53Å; F63-L186 HydrophobicContact CE2-CB 4.28Å; F63-L186 HydrophobicContact CE2-CD2 3.51Å; F63-L186 HydrophobicContact CE2-CG 4.49Å; F63-L186 HydrophobicContact CG-CD2 4.35Å; F63-L186 HydrophobicContact CZ-CD2 4.33Å; L66-L186 HydrophobicContact CB-CD2 3.51Å; L66-L186 HydrophobicContact CB-CG 4.07Å; L66-L186 HydrophobicContact CD1-CD2 4.17Å; L66-L186 HydrophobicContact CD1-CG 4.31Å; L67-L186 HydrophobicContact CD2-CD1 3.75Å; L67-L186 HydrophobicContact CD2-CD2 3.75Å; L67-L186 HydrophobicContact CD2-CG 4.43Å; L67-L186 HydrophobicContact CG-CD2 3.84Å; E182-L186 WeakPolarHBondContact O-CG 3.42Å; E182-L186 PolarHBondContact O-N 2.96Å; L183-L186 PolarHBondContact O-N 2.69Å; I184-L186 VanDerWaalsContact C-N 3.34Å; I184-L186 PolarHBondContact O-N 3.38Å; L186-A189 PolarHBondContact O-N 2.78Å; L186-M190 WeakPolarHBondContact O-CB 2.99Å; L186-M190 VanDerWaalsContact O-CG 3.3Å; L186-M190 WeakPolarHBondContact O-CG 3.48Å; L186-M190 PolarHBondContact O-N 3.38Å
187I94.8Very high91.2Very high94 Ų9465.6 Ų65.648%0.48237%0.367SS..Hα-helixtrans-62.8-44.9176.4-67.7164000110.3L183 I184 M190 T191L183-I187 HydrophobicContact CG-CD1 4.12Å; L183-I187 VanDerWaalsContact O-CG1 3.26Å; L183-I187 WeakPolarHBondContact O-CG1 3.35Å; L183-I187 PolarHBondContact O-N 3.25Å; I184-I187 PolarHBondContact O-N 3.17Å; I187-M190 PolarHBondContact O-N 2.89Å; I187-T191 HydrophobicContact CG2-CG2 4.46Å; I187-T191 WeakPolarHBondContact O-CG2 3.08Å; I187-T191 PolarHBondContact O-N 3.42Å; I187-T191 PolarHBondContact O-OG1 3.39Å
188F92Very high90.3Very high131 Ų13165.7 Ų65.758%0.57538%0.382SS*.Hα-helixtrans-62.6-42.3175.1-78.9-60.4000112.1I184 G185 M190 T191 L192I184-F188 HydrophobicContact CG2-CD2 3.56Å; I184-F188 HydrophobicContact CG2-CE2 3.34Å; I184-F188 WeakPolarHBondContact O-CD2 3.29Å; I184-F188 PolarHBondContact O-N 3.11Å; G185-F188 PolarHBondContact O-N 3.4Å; F188-M190 VanDerWaalsContact C-N 3.35Å; F188-M190 PolarHBondContact O-N 3.41Å; F188-T191 WeakPolarHBondContact CA-OG1 3.22Å; F188-T191 PolarHBondContact O-N 3.01Å; F188-T191 PolarHBondContact O-OG1 3.23Å; F188-L192 WeakPolarHBondContact O-CB 3.43Å; F188-L192 WeakPolarHBondContact O-CG 3.15Å; F188-L192 PolarHBondContact O-N 3.34Å
189A91.7Very high89.3Confident3 Ų367.9 Ų67.93%0.02539%0.385CS..Hα-helixtrans-61.8-42.7175.200000111.9L59 Y62 F63 G185 L186 C193L59-A189 HydrophobicContact CD1-CB 4.29Å; Y62-A189 HydrophobicContact CD1-CB 4.16Å; Y62-A189 HydrophobicContact CE1-CB 4.3Å; F63-A189 HydrophobicContact CB-CB 4.31Å; F63-A189 HydrophobicContact CD2-CB 4.08Å; G185-A189 WeakPolarHBondContact O-CB 3.49Å; G185-A189 PolarHBondContact O-N 2.55Å; L186-A189 PolarHBondContact O-N 2.78Å; A189-C193 VanDerWaalsContact O-CB 3.24Å; A189-C193 WeakPolarHBondContact O-CB 3.46Å; A189-C193 PolarHBondContact O-N 3.19Å
190M90.6Very high88.1Confident94 Ų9472.4 Ų72.446%0.46341%0.406SS..Hα-helixtrans-64-47.2177-76.7-64.3-143.400112.3F63 L186 I187 F188 L192 C193 C194F63-M190 HydrophobicContact CD2-CG 4.26Å; F63-M190 HydrophobicContact CD2-SD 4.32Å; F63-M190 HydrophobicContact CE1-CE 4.19Å; F63-M190 HydrophobicContact CE2-CE 3.7Å; F63-M190 HydrophobicContact CE2-CG 3.67Å; F63-M190 HydrophobicContact CE2-SD 3.75Å; F63-M190 HydrophobicContact CZ-CE 3.37Å; F63-M190 HydrophobicContact CZ-CG 4.35Å; F63-M190 HydrophobicContact CZ-SD 3.92Å; L186-M190 WeakPolarHBondContact O-CB 2.99Å; L186-M190 VanDerWaalsContact O-CG 3.3Å; L186-M190 WeakPolarHBondContact O-CG 3.48Å; L186-M190 PolarHBondContact O-N 3.38Å; I187-M190 PolarHBondContact O-N 2.89Å; F188-M190 VanDerWaalsContact C-N 3.35Å; F188-M190 PolarHBondContact O-N 3.41Å; M190-L192 PolarHBondContact O-N 3.1Å; M190-C193 WeakPolarHBondContact O-CB 3.4Å; M190-C193 PolarHBondContact O-N 3.13Å; M190-C193 VanDerWaalsContact O-N 3.15Å; M190-C194 WeakPolarHBondContact O-CB 3.37Å; M190-C194 PolarHBondContact O-N 3.46Å; M190-C194 PolarHBondContact O-SG 3.21Å
191T91.6Very high86.6Confident76 Ų7672.1 Ų72.147%0.46641%0.409SS..Hα-helixtrans-62.2-42.4178.5510000111.9I187 F188 C193 C194 A195I187-T191 HydrophobicContact CG2-CG2 4.46Å; I187-T191 WeakPolarHBondContact O-CG2 3.08Å; I187-T191 PolarHBondContact O-N 3.42Å; I187-T191 PolarHBondContact O-OG1 3.39Å; F188-T191 WeakPolarHBondContact CA-OG1 3.22Å; F188-T191 PolarHBondContact O-N 3.01Å; F188-T191 PolarHBondContact O-OG1 3.23Å; T191-C193 VanDerWaalsContact C-N 3.35Å; T191-C194 PolarHBondContact O-N 2.94Å; T191-A195 WeakPolarHBondContact O-CB 2.99Å; T191-A195 PolarHBondContact O-N 3.22Å
192L88.8Confident85.2Confident52 Ų5272 Ų7227%0.27241%0.41SS..Hα-helixtrans-63.5-39.8172.6-74.7170.2000111.7L59 F188 M190 A195 V196L59-L192 HydrophobicContact CD1-CB 4.4Å; L59-L192 HydrophobicContact CD2-CB 3.69Å; F188-L192 WeakPolarHBondContact O-CB 3.43Å; F188-L192 WeakPolarHBondContact O-CG 3.15Å; F188-L192 PolarHBondContact O-N 3.34Å; M190-L192 PolarHBondContact O-N 3.1Å; L192-A195 PolarHBondContact O-N 2.03Å; L192-V196 WeakPolarHBondContact O-CG2 3.15Å; L192-V196 PolarHBondContact O-N 3.16Å
193C86.6Confident83.9Confident52 Ų5273.4 Ų73.435%0.35143%0.427SS..Hα-helixtrans-65-43.2178.9-171.80000111.1L59 A189 M190 T191 V196 N197L59-C193 VanDerWaalsContact CD2-CA 3.49Å; L59-C193 HydrophobicContact CD2-CB 3.73Å; L59-C193 VanDerWaalsContact CD2-N 3.29Å; A189-C193 VanDerWaalsContact O-CB 3.24Å; A189-C193 WeakPolarHBondContact O-CB 3.46Å; A189-C193 PolarHBondContact O-N 3.19Å; M190-C193 WeakPolarHBondContact O-CB 3.4Å; M190-C193 PolarHBondContact O-N 3.13Å; M190-C193 VanDerWaalsContact O-N 3.15Å; T191-C193 VanDerWaalsContact C-N 3.35Å; C193-V196 PolarHBondContact O-N 3.23Å; C193-N197 WeakPolarHBondContact O-CB 2.97Å; C193-N197 PolarHBondContact O-N 3.14Å
194C87.5Confident82.3Confident91 Ų9177 Ų7762%0.61544%0.436SS*.Hα-helixtrans-62.2-42.4173.4-69.20000111.9M190 T191 N197 G198M190-C194 WeakPolarHBondContact O-CB 3.37Å; M190-C194 PolarHBondContact O-N 3.46Å; M190-C194 PolarHBondContact O-SG 3.21Å; T191-C194 PolarHBondContact O-N 2.94Å; C194-N197 PolarHBondContact O-N 2.94Å; C194-G198 PolarHBondContact O-N 3.28Å; C194-G198 VanDerWaalsContact O-N 3.16Å
195A86.7Confident81Confident58 Ų5880.4 Ų80.448%0.47944%0.444SS..Hα-helixtrans-64.1-41177.300000112.5T191 L192 N197 R199T191-A195 WeakPolarHBondContact O-CB 2.99Å; T191-A195 PolarHBondContact O-N 3.22Å; L192-A195 PolarHBondContact O-N 2.03Å; A195-N197 VanDerWaalsContact C-N 3.34Å; A195-R199 PolarHBondContact O-N 3.28Å
196V83Confident79.6Confident12 Ų1288.4 Ų88.47%0.07347%0.47CS..Hα-helixtrans-66.5-36.2174.1176.60000111.1Y54 R56 L192 C193 R199Y54-V196 HydrophobicContact CD1-CG2 3.57Å; Y54-V196 HydrophobicContact CE1-CG2 4.5Å; Y54-V196 HydrophobicContact CG-CG2 4.25Å; Y54-V196 WeakPolarHBondContact O-CG1 3.38Å; R56-V196 HydrophobicContact CG-CG1 3.44Å; R56-V196 VanDerWaalsContact CG-CG1 3.44Å; R56-V196 PolarHBondContact NH2-O 3.48Å; L192-V196 WeakPolarHBondContact O-CG2 3.15Å; L192-V196 PolarHBondContact O-N 3.16Å; C193-V196 PolarHBondContact O-N 3.23Å; V196-R199 PolarHBondContact O-N 3.35Å
197N79.8Confident78.2Confident106 Ų10690.5 Ų90.557%0.56749%0.489SS*.Hα-helixtrans-66.4-38-179.4-169.653.9000112.5R56 C193 C194 A195 R199R56-N197 PolarHBondContact NH1-OD1 3.14Å; R56-N197 PolarHBondContact NH2-O 3.41Å; C193-N197 WeakPolarHBondContact O-CB 2.97Å; C193-N197 PolarHBondContact O-N 3.14Å; C194-N197 PolarHBondContact O-N 2.94Å; A195-N197 VanDerWaalsContact C-N 3.34Å; N197-R199 VanDerWaalsContact C-N 3.28Å; N197-R199 PolarHBondContact O-N 3.35Å
198G76.2Confident77Confident71 Ų7189.7 Ų89.773%0.73249%0.488SS*.THydrogen-bonded Turntrans-75.7-8.7176.400000115C194C194-G198 PolarHBondContact O-N 3.28Å; C194-G198 VanDerWaalsContact O-N 3.16Å
199R71.3Confident76.3Confident132 Ų13290.4 Ų90.450%0.49849%0.493SS..SBendtrans-88.6117.2-179.8-163168.4-170.3167.52.7110.2A195 V196 N197 P201A195-R199 PolarHBondContact O-N 3.28Å; V196-R199 PolarHBondContact O-N 3.35Å; N197-R199 VanDerWaalsContact C-N 3.28Å; N197-R199 PolarHBondContact O-N 3.35Å; R199-P201 VanDerWaalsContact O-CD 3.3Å; R199-P201 WeakPolarHBondContact O-CD 3.25Å
200D67.6Low75.5Confident116 Ų11696.1 Ų96.162%0.6253%0.528SS*.  trans-60.7115.6173.2-96.7-36000110.5N202 A203D200-N202 PolarHBondContact O-N 3.12Å; D200-A203 HydrophobicContact CB-CB 4.11Å; D200-A203 PolarHBondContact O-N 3.17Å; D200-A203 VanDerWaalsContact O-N 3.09Å
201P63.8Low74.2Confident89 Ų8998.3 Ų98.358%0.57856%0.561SS**Hα-helixtrans-61.4-28.2177.422.6-30.6000111.9R199 A203 Y204 Y205R199-P201 VanDerWaalsContact O-CD 3.3Å; R199-P201 WeakPolarHBondContact O-CD 3.25Å; P201-A203 VanDerWaalsContact C-N 3.33Å; P201-A203 PolarHBondContact O-N 2.86Å; P201-Y204 PolarHBondContact O-N 3.33Å; P201-Y205 PolarHBondContact O-N 3.32Å
202N66.4Low73.4Confident111 Ų11199.4 Ų99.459%0.59457%0.566SS**Hα-helixtrans-67.4-28.8177.2-67.6-23.9000113.3D200 R206D200-N202 PolarHBondContact O-N 3.12Å; N202-R206 WeakPolarHBondContact O-CG 3.14Å; N202-R206 PolarHBondContact O-N 2.92Å
203A65.5Low72.6Confident59 Ų59101.9 Ų101.949%0.48858%0.581SS.*Hα-helixtrans-70.6-35.9178.900000111.7D200 P201 A207D200-A203 HydrophobicContact CB-CB 4.11Å; D200-A203 PolarHBondContact O-N 3.17Å; D200-A203 VanDerWaalsContact O-N 3.09Å; P201-A203 VanDerWaalsContact C-N 3.33Å; P201-A203 PolarHBondContact O-N 2.86Å; A203-A207 PolarHBondContact O-N 3.37Å
204Y62Low71.8Confident153 Ų153104.7 Ų104.760%0.659%0.594SS**Hα-helixtrans-69.8-42.7175.8178.2-102.9000112.2P201 R206 A207 V208P201-Y204 PolarHBondContact O-N 3.33Å; Y204-R206 VanDerWaalsContact C-N 3.27Å; Y204-R206 PolarHBondContact O-N 2.01Å; Y204-A207 PolarHBondContact O-N 3.1Å; Y204-A207 VanDerWaalsContact O-N 3.11Å; Y204-V208 HydrophobicContact CD1-CG2 4.41Å; Y204-V208 HydrophobicContact CE1-CG2 3.94Å; Y204-V208 HydrophobicContact CE2-CG2 4.05Å; Y204-V208 PolarHBondContact O-N 3.37Å; Y204-V208 VanDerWaalsContact O-N 3.1Å
205Y67Low70.8Confident162 Ų162105.5 Ų105.564%0.63559%0.593SS**Hα-helixtrans-61-37.2177.5-139-90.6000112.1P201 V208 Q209P201-Y205 PolarHBondContact O-N 3.32Å; Y205-V208 PolarHBondContact O-N 3.43Å; Y205-Q209 PolarHBondContact O-N 2.95Å
206R64.6Low69.9Low182 Ų182108.4 Ų108.469%0.68760%0.6SS**Hα-helixtrans-64-43.1173.3-71.2-176.7-160.1-170.46.3112.5N202 Y204 V208 Q209 T210N202-R206 WeakPolarHBondContact O-CG 3.14Å; N202-R206 PolarHBondContact O-N 2.92Å; Y204-R206 VanDerWaalsContact C-N 3.27Å; Y204-R206 PolarHBondContact O-N 2.01Å; R206-V208 VanDerWaalsContact C-N 3.32Å; R206-V208 PolarHBondContact O-N 3.48Å; R206-Q209 PolarHBondContact O-N 3.15Å; R206-T210 WeakPolarHBondContact O-CG2 3Å; R206-T210 PolarHBondContact O-N 3.36Å; R206-T210 VanDerWaalsContact O-N 3.13Å; R206-T210 PolarHBondContact O-OG1 3.41Å; R206-T210 VanDerWaalsContact O-OG1 3.05Å
207A64.6Low69Low56 Ų56114.9 Ų114.946%0.46364%0.635SS.*Hα-helixtrans-64.3-35.9179.900000112.7A203 Y204 T210A203-A207 PolarHBondContact O-N 3.37Å; Y204-A207 PolarHBondContact O-N 3.1Å; Y204-A207 VanDerWaalsContact O-N 3.11Å; A207-T210 PolarHBondContact O-OG1 3.04Å
208V69.1Low68.2Low78 Ų78115.5 Ų115.547%0.47364%0.64SS.*Hα-helixtrans-75.2-35.5176.1178.10000111.9Y204 Y205 R206 T210 A211Y204-V208 HydrophobicContact CD1-CG2 4.41Å; Y204-V208 HydrophobicContact CE1-CG2 3.94Å; Y204-V208 HydrophobicContact CE2-CG2 4.05Å; Y204-V208 PolarHBondContact O-N 3.37Å; Y204-V208 VanDerWaalsContact O-N 3.1Å; Y205-V208 PolarHBondContact O-N 3.43Å; R206-V208 VanDerWaalsContact C-N 3.32Å; R206-V208 PolarHBondContact O-N 3.48Å; V208-T210 VanDerWaalsContact C-N 3.27Å; V208-T210 PolarHBondContact O-N 2.94Å; V208-A211 PolarHBondContact O-N 2.66Å
209Q77.3Confident67.6Low146 Ų146118.9 Ų118.968%0.68263%0.633SS**Hα-helixtrans-69.1-22.9174.8-97.3177.2-40.700113.9Y205 R206Y205-Q209 PolarHBondContact O-N 2.95Å; R206-Q209 PolarHBondContact O-N 3.15Å
210T76.1Confident67.3Low122 Ų122117.8 Ų117.875%0.74864%0.644SS**THydrogen-bonded Turntrans-91.8-4.1178.352.50000114.4R206 A207 V208R206-T210 WeakPolarHBondContact O-CG2 3Å; R206-T210 PolarHBondContact O-N 3.36Å; R206-T210 VanDerWaalsContact O-N 3.13Å; R206-T210 PolarHBondContact O-OG1 3.41Å; R206-T210 VanDerWaalsContact O-OG1 3.05Å; A207-T210 PolarHBondContact O-OG1 3.04Å; V208-T210 VanDerWaalsContact C-N 3.27Å; V208-T210 PolarHBondContact O-N 2.94Å
211A63.5Low67.3Low140 Ų140118 Ų118100%1.15765%0.646SS**  trans-98.20175.800000110.3V208V208-A211 PolarHBondContact O-N 2.66Å

Retrieved 211 of 211 residues in 151.5 ms (Link to these results)