A0A087XUS8_POEFO Loading...

Chromosome 1 open reading frame 43

General regulator of phagocytosis. Required to uptake Gram negative bacterium by macrophages.

AlphaFold DB , UniProt , Accession A0A087XUS8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 255 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
1M36.4Very low61.7Low254 Ų254112.2 Ų112.2100%1.25169%0.693SS**  090.60-84.5173.9151.400107.1
2A49.6Very low63.7Low84 Ų84109.9 Ų109.969%0.69468%0.678SS**  trans-141.2129.8177.400000107.9
3D45.5Very low65.5Low152 Ų152109.2 Ų109.281%0.81367%0.673SS**  trans15479.8134.6-75.7-12.2000109.8S5D3-S5 PolarHBondContact O-N 3.27Å
4S55.6Low67.1Low118 Ų118107 Ų10783%0.82565%0.654SS**  trans-79.8104.1163.654.10000108.6P6S4-P6 WeakPolarHBondContact O-CD 3.37Å
5S58Low68.6Low85 Ų85106.9 Ų106.959%0.59465%0.653SS**  trans-50.8111.5-170.2-49.40000115D3 L7D3-S5 PolarHBondContact O-N 3.27Å; S5-L7 PolarHBondContact O-N 3.45Å
6P56.8Low70.1Confident110 Ų110107.9 Ų107.971%0.71465%0.65SS**THydrogen-bonded Turntrans-69.40.3173.627.7-33.6000114S4 S8S4-P6 WeakPolarHBondContact O-CD 3.37Å; P6-S8 VanDerWaalsContact C-N 3.35Å; P6-S8 PolarHBondContact O-N 3.27Å
7L57.9Low71.4Confident116 Ų116104.9 Ų104.961%0.60764%0.64SS**Hα-helixtrans-74.3-21.2-174.6-59.1173.8000113.5S5 N11S5-L7 PolarHBondContact O-N 3.45Å; L7-N11 VanDerWaalsContact O-CB 3.32Å; L7-N11 WeakPolarHBondContact O-CB 3.4Å; L7-N11 PolarHBondContact O-N 3.33Å; L7-N11 PolarHBondContact O-ND2 3.2Å
8S73.2Confident72.7Confident86 Ų86107.2 Ų107.260%0.60164%0.636SS**Hα-helixtrans-69-45.6-174.9-173.40000112.8P6 V12P6-S8 VanDerWaalsContact C-N 3.35Å; P6-S8 PolarHBondContact O-N 3.27Å; S8-V12 VanDerWaalsContact O-CG2 3.3Å; S8-V12 WeakPolarHBondContact O-CG2 3.38Å; S8-V12 PolarHBondContact O-N 2.97Å; S8-V12 VanDerWaalsContact O-N 3.13Å
9G77.1Confident73.9Confident47 Ų47103.8 Ų103.849%0.48563%0.625SS.*Hα-helixtrans-68.9-41.5-178.500000113.3N11 V12 V13G9-N11 PolarHBondContact O-N 3.46Å; G9-V12 PolarHBondContact O-N 3.44Å; G9-V13 WeakPolarHBondContact O-CG2 3.33Å; G9-V13 PolarHBondContact O-N 3.46Å
10V85.4Confident74.8Confident90 Ų90103.5 Ų103.555%0.54562%0.62SS.*Hα-helixtrans-64.8-41.5178.4179.60000110.9V12 V13 L14V10-V12 VanDerWaalsContact C-N 3.35Å; V10-V12 PolarHBondContact O-N 3.3Å; V10-V13 PolarHBondContact O-N 3.34Å; V10-L14 HydrophobicContact CG1-CD1 3.95Å; V10-L14 WeakPolarHBondContact O-CB 3.49Å; V10-L14 WeakPolarHBondContact O-CG 3.47Å; V10-L14 PolarHBondContact O-N 2.94Å
11N83.7Confident75.7Confident92 Ų92103.2 Ų103.249%0.49262%0.615SS.*Hα-helixtrans-64.5-38.7176.7-71.3-10.4000112.1L7 G9 L14 V15L7-N11 VanDerWaalsContact O-CB 3.32Å; L7-N11 WeakPolarHBondContact O-CB 3.4Å; L7-N11 PolarHBondContact O-N 3.33Å; L7-N11 PolarHBondContact O-ND2 3.2Å; G9-N11 PolarHBondContact O-N 3.46Å; N11-L14 PolarHBondContact O-N 3.35Å; N11-V15 WeakPolarHBondContact O-CB 3.23Å; N11-V15 VanDerWaalsContact O-CG2 3.24Å; N11-V15 WeakPolarHBondContact O-CG2 3.39Å; N11-V15 PolarHBondContact O-N 2.91Å
12V85.1Confident78.5Confident85 Ų8595.2 Ų95.252%0.51558%0.58SS.*Hα-helixtrans-64.1-43.9175.2171.70000111.3S8 G9 V10 V15 M16S8-V12 VanDerWaalsContact O-CG2 3.3Å; S8-V12 WeakPolarHBondContact O-CG2 3.38Å; S8-V12 PolarHBondContact O-N 2.97Å; S8-V12 VanDerWaalsContact O-N 3.13Å; G9-V12 PolarHBondContact O-N 3.44Å; V10-V12 VanDerWaalsContact C-N 3.35Å; V10-V12 PolarHBondContact O-N 3.3Å; V12-V15 PolarHBondContact O-N 3.02Å; V12-M16 WeakPolarHBondContact O-CB 3.44Å; V12-M16 WeakPolarHBondContact O-CG 3.41Å; V12-M16 PolarHBondContact O-N 2.86Å
13V87Confident80.5Confident100 Ų10098.1 Ų98.161%0.60658%0.577SS**Hα-helixtrans-65-41177.8175.50000111.2G9 V10 M16 A17G9-V13 WeakPolarHBondContact O-CG2 3.33Å; G9-V13 PolarHBondContact O-N 3.46Å; V10-V13 PolarHBondContact O-N 3.34Å; V13-M16 PolarHBondContact O-N 3.12Å; V13-A17 WeakPolarHBondContact O-CB 3.25Å; V13-A17 PolarHBondContact O-N 3.45Å
14L87.8Confident82.8Confident79 Ų7994.6 Ų94.641%0.41456%0.561SS.*Hα-helixtrans-61.4-48.9174.7-77.4163.7000111.1V10 N11 M16 A17 Y18V10-L14 HydrophobicContact CG1-CD1 3.95Å; V10-L14 WeakPolarHBondContact O-CB 3.49Å; V10-L14 WeakPolarHBondContact O-CG 3.47Å; V10-L14 PolarHBondContact O-N 2.94Å; N11-L14 PolarHBondContact O-N 3.35Å; L14-M16 VanDerWaalsContact C-N 3.29Å; L14-M16 PolarHBondContact O-N 3.21Å; L14-A17 PolarHBondContact O-N 3.49Å; L14-Y18 HydrophobicContact CB-CD2 4.45Å; L14-Y18 HydrophobicContact CD2-CD2 4.36Å; L14-Y18 HydrophobicContact CD2-CE2 3.83Å; L14-Y18 WeakPolarHBondContact O-CB 3.34Å; L14-Y18 WeakPolarHBondContact O-CD2 3.5Å; L14-Y18 PolarHBondContact O-N 3.43Å
15V90.4Very high84.4Confident106 Ų10692.9 Ų92.964%0.64254%0.542SS*.Hα-helixtrans-60.1-40.4178.2170.70000111.3N11 V12 G19N11-V15 WeakPolarHBondContact O-CB 3.23Å; N11-V15 VanDerWaalsContact O-CG2 3.24Å; N11-V15 WeakPolarHBondContact O-CG2 3.39Å; N11-V15 PolarHBondContact O-N 2.91Å; V12-V15 PolarHBondContact O-N 3.02Å; V15-G19 WeakPolarHBondContact O-CA 3.32Å; V15-G19 PolarHBondContact O-N 2.87Å
16M91.9Very high86Confident122 Ų12293.9 Ų93.960%0.60154%0.541SS*.Hα-helixtrans-67-43.4175.8-74.4-61.7-141.500112.5V12 V13 L14 N20V12-M16 WeakPolarHBondContact O-CB 3.44Å; V12-M16 WeakPolarHBondContact O-CG 3.41Å; V12-M16 PolarHBondContact O-N 2.86Å; V13-M16 PolarHBondContact O-N 3.12Å; L14-M16 VanDerWaalsContact C-N 3.29Å; L14-M16 PolarHBondContact O-N 3.21Å; M16-N20 WeakPolarHBondContact O-CB 3.47Å; M16-N20 PolarHBondContact O-N 2.92Å; M16-N20 PolarHBondContact O-ND2 3.23Å
17A93.3Very high87.6Confident57 Ų5795 Ų9547%0.47153%0.534SS..Hα-helixtrans-65.5-47.2179.200000111.6V13 L14 N20 L21V13-A17 WeakPolarHBondContact O-CB 3.25Å; V13-A17 PolarHBondContact O-N 3.45Å; L14-A17 PolarHBondContact O-N 3.49Å; A17-N20 PolarHBondContact O-N 3.34Å; A17-L21 WeakPolarHBondContact O-CB 3.29Å; A17-L21 PolarHBondContact O-N 2.97Å
18Y94.4Very high89Confident147 Ų14793.8 Ų93.858%0.57653%0.528SS*.Hα-helixtrans-68.1-39177.2-79.6-74.6000112.1L14 N20 L21 V22L14-Y18 HydrophobicContact CB-CD2 4.45Å; L14-Y18 HydrophobicContact CD2-CD2 4.36Å; L14-Y18 HydrophobicContact CD2-CE2 3.83Å; L14-Y18 WeakPolarHBondContact O-CB 3.34Å; L14-Y18 WeakPolarHBondContact O-CD2 3.5Å; L14-Y18 PolarHBondContact O-N 3.43Å; Y18-N20 PolarHBondContact O-N 3.48Å; Y18-L21 PolarHBondContact O-N 3.49Å; Y18-V22 WeakPolarHBondContact O-CG2 3.49Å; Y18-V22 PolarHBondContact O-N 3.42Å
19G94.3Very high89.6Confident42 Ų4294.9 Ų94.943%0.43352%0.522SS..Hα-helixtrans-60.1-45.9175.400000112.1V15 V22 F23V15-G19 WeakPolarHBondContact O-CA 3.32Å; V15-G19 PolarHBondContact O-N 2.87Å; G19-V22 PolarHBondContact O-N 3.37Å; G19-F23 WeakPolarHBondContact O-CB 3.37Å; G19-F23 PolarHBondContact O-N 3.48Å
20N93.6Very high89.9Confident98 Ų9896 Ų9652%0.52452%0.519SS..Hα-helixtrans-66.6-40.1175.5-75.5-55.8000112.3M16 A17 Y18 V22 F23 V24M16-N20 WeakPolarHBondContact O-CB 3.47Å; M16-N20 PolarHBondContact O-N 2.92Å; M16-N20 PolarHBondContact O-ND2 3.23Å; A17-N20 PolarHBondContact O-N 3.34Å; Y18-N20 PolarHBondContact O-N 3.48Å; N20-V22 PolarHBondContact O-N 2.95Å; N20-F23 PolarHBondContact O-N 2.7Å; N20-V24 WeakPolarHBondContact O-CB 3.41Å; N20-V24 VanDerWaalsContact O-CG2 3.27Å; N20-V24 WeakPolarHBondContact O-CG2 3.41Å; N20-V24 PolarHBondContact O-N 3.11Å
21L93.8Very high89.9Confident97 Ų9798.5 Ų98.551%0.50852%0.522SS..Hα-helixtrans-60.7-46.6176.8-177.267000111.6A17 Y18 V24 L25A17-L21 WeakPolarHBondContact O-CB 3.29Å; A17-L21 PolarHBondContact O-N 2.97Å; Y18-L21 PolarHBondContact O-N 3.49Å; L21-V24 PolarHBondContact O-N 3.17Å; L21-L25 HydrophobicContact CG-CD1 4.25Å; L21-L25 WeakPolarHBondContact O-CB 3.5Å; L21-L25 VanDerWaalsContact O-CG 3.28Å; L21-L25 WeakPolarHBondContact O-CG 3.39Å; L21-L25 PolarHBondContact O-N 3.1Å
22V93.9Very high89.7Confident86 Ų8699.8 Ų99.852%0.52152%0.52SS..Hα-helixtrans-63.6-43176.8172.60000110.6Y18 G19 N20 L25 L26Y18-V22 WeakPolarHBondContact O-CG2 3.49Å; Y18-V22 PolarHBondContact O-N 3.42Å; G19-V22 PolarHBondContact O-N 3.37Å; N20-V22 PolarHBondContact O-N 2.95Å; V22-L25 PolarHBondContact O-N 3.48Å; V22-L26 WeakPolarHBondContact O-CB 3.36Å; V22-L26 PolarHBondContact O-N 3.25Å
23F92.5Very high89.4Confident145 Ų145101.2 Ų101.264%0.63652%0.522SS*.Hα-helixtrans-61.3-45.2177.6-173-100.2000112.3G19 N20 L26 F27G19-F23 WeakPolarHBondContact O-CB 3.37Å; G19-F23 PolarHBondContact O-N 3.48Å; N20-F23 PolarHBondContact O-N 2.7Å; F23-L26 PolarHBondContact O-N 3.4Å; F23-F27 WeakPolarHBondContact O-CB 3.45Å; F23-F27 PolarHBondContact O-N 2.91Å
24V92.4Very high88.8Confident78 Ų78101.5 Ų101.547%0.47352%0.518SS..Hα-helixtrans-63.6-43.9176.4170.60000111.2N20 L21 L26 F27 I28N20-V24 WeakPolarHBondContact O-CB 3.41Å; N20-V24 VanDerWaalsContact O-CG2 3.27Å; N20-V24 WeakPolarHBondContact O-CG2 3.41Å; N20-V24 PolarHBondContact O-N 3.11Å; L21-V24 PolarHBondContact O-N 3.17Å; V24-L26 PolarHBondContact O-N 2.9Å; V24-F27 PolarHBondContact O-N 3.07Å; V24-I28 HydrophobicContact CG1-CD1 3.9Å; V24-I28 VanDerWaalsContact O-CG1 3.3Å; V24-I28 WeakPolarHBondContact O-CG1 3.5Å; V24-I28 PolarHBondContact O-N 2.95Å
25L90.3Very high88.1Confident82 Ų82103.2 Ų103.243%0.42953%0.526SS..Hα-helixtrans-60.7-46.9176.3-73.5171.1000111L21 V22 F27 I28 F29L21-L25 HydrophobicContact CG-CD1 4.25Å; L21-L25 WeakPolarHBondContact O-CB 3.5Å; L21-L25 VanDerWaalsContact O-CG 3.28Å; L21-L25 WeakPolarHBondContact O-CG 3.39Å; L21-L25 PolarHBondContact O-N 3.1Å; V22-L25 PolarHBondContact O-N 3.48Å; L25-F27 VanDerWaalsContact C-N 3.31Å; L25-F27 PolarHBondContact O-N 2.97Å; L25-I28 PolarHBondContact O-N 2.94Å; L25-F29 HydrophobicContact CB-CD2 4.47Å; L25-F29 HydrophobicContact CB-CE2 4.39Å; L25-F29 WeakPolarHBondContact O-CD2 3.12Å; L25-F29 PolarHBondContact O-N 2.83Å
26L91.3Very high87Confident107 Ų107104.5 Ų104.556%0.5652%0.519SS*.Hα-helixtrans-61.6-41179.1-155.1153.3000111V22 F23 V24 F29 V30V22-L26 WeakPolarHBondContact O-CB 3.36Å; V22-L26 PolarHBondContact O-N 3.25Å; F23-L26 PolarHBondContact O-N 3.4Å; V24-L26 PolarHBondContact O-N 2.9Å; L26-F29 PolarHBondContact O-N 2.87Å; L26-V30 HydrophobicContact CD2-CG2 3.85Å; L26-V30 WeakPolarHBondContact O-CB 3.27Å; L26-V30 WeakPolarHBondContact O-CG2 3.34Å; L26-V30 PolarHBondContact O-N 3.37Å
27F89.6Confident85.5Confident132 Ų132106.3 Ų106.358%0.57952%0.524SS*.Hα-helixtrans-62.5-43.4174.7-171.1-99.2000112.6F23 V24 L25 F29 V30 K31F23-F27 WeakPolarHBondContact O-CB 3.45Å; F23-F27 PolarHBondContact O-N 2.91Å; V24-F27 PolarHBondContact O-N 3.07Å; L25-F27 VanDerWaalsContact C-N 3.31Å; L25-F27 PolarHBondContact O-N 2.97Å; F27-F29 VanDerWaalsContact C-N 3.35Å; F27-V30 PolarHBondContact O-N 2.77Å; F27-K31 HydrophobicContact CE1-CD 4.49Å; F27-K31 VanDerWaalsContact O-CB 3.26Å; F27-K31 WeakPolarHBondContact O-CB 3.48Å; F27-K31 PolarHBondContact O-N 3.38Å
28I88.1Confident83.9Confident91 Ų91105.5 Ų105.547%0.46752%0.517SS..Hα-helixtrans-63.6-42.1175.2-66.8165.7000110.5V24 L25 R32V24-I28 HydrophobicContact CG1-CD1 3.9Å; V24-I28 VanDerWaalsContact O-CG1 3.3Å; V24-I28 WeakPolarHBondContact O-CG1 3.5Å; V24-I28 PolarHBondContact O-N 2.95Å; L25-I28 PolarHBondContact O-N 2.94Å; I28-R32 WeakPolarHBondContact O-CB 3.33Å; I28-R32 PolarHBondContact O-N 3.49Å
29F85.4Confident82.3Confident110 Ų110104.9 Ų104.948%0.48252%0.521SS..Hα-helixtrans-63.5-47.9177.1-79.6-65.9000111.5L25 L26 F27 R32 Q33L25-F29 HydrophobicContact CB-CD2 4.47Å; L25-F29 HydrophobicContact CB-CE2 4.39Å; L25-F29 WeakPolarHBondContact O-CD2 3.12Å; L25-F29 PolarHBondContact O-N 2.83Å; L26-F29 PolarHBondContact O-N 2.87Å; F27-F29 VanDerWaalsContact C-N 3.35Å; F29-R32 PolarHBondContact O-N 3.4Å; F29-Q33 WeakPolarHBondContact O-CB 3.45Å; F29-Q33 WeakPolarHBondContact O-CG 3.48Å; F29-Q33 PolarHBondContact O-N 3.36Å
30V84.4Confident80.7Confident69 Ų69111.4 Ų111.442%0.41853%0.533SS..Hα-helixtrans-60.8-48.5176.9171.50000110.8L26 F27 R32 Q33 I34L26-V30 HydrophobicContact CD2-CG2 3.85Å; L26-V30 WeakPolarHBondContact O-CB 3.27Å; L26-V30 WeakPolarHBondContact O-CG2 3.34Å; L26-V30 PolarHBondContact O-N 3.37Å; F27-V30 PolarHBondContact O-N 2.77Å; V30-R32 VanDerWaalsContact C-N 3.3Å; V30-R32 PolarHBondContact O-N 3.19Å; V30-Q33 PolarHBondContact O-N 2.95Å; V30-I34 HydrophobicContact CG1-CD1 3.62Å; V30-I34 HydrophobicContact CG1-CG1 4.32Å; V30-I34 WeakPolarHBondContact O-CB 3.46Å; V30-I34 VanDerWaalsContact O-CG1 3.26Å; V30-I34 WeakPolarHBondContact O-CG1 3.26Å; V30-I34 PolarHBondContact O-N 3.19Å
31K84.5Confident78.8Confident143 Ų143110.5 Ų110.562%0.62253%0.534SS*.Hα-helixtrans-58.4-41.6176.2-175.5175.1177.1169.70111.9F27 M35F27-K31 HydrophobicContact CE1-CD 4.49Å; F27-K31 VanDerWaalsContact O-CB 3.26Å; F27-K31 WeakPolarHBondContact O-CB 3.48Å; F27-K31 PolarHBondContact O-N 3.38Å; K31-M35 WeakPolarHBondContact O-CB 3.3Å; K31-M35 PolarHBondContact O-N 2.72Å
32R80.4Confident77.1Confident119 Ų119115.4 Ų115.445%0.44955%0.546SS..Hα-helixtrans-71.3-35.1178.4-166.4165.698.11733.7112.3I28 F29 V30 M35 R36I28-R32 WeakPolarHBondContact O-CB 3.33Å; I28-R32 PolarHBondContact O-N 3.49Å; F29-R32 PolarHBondContact O-N 3.4Å; V30-R32 VanDerWaalsContact C-N 3.3Å; V30-R32 PolarHBondContact O-N 3.19Å; R32-M35 HydrophobicContact CG-CE 4.4Å; R32-R36 WeakPolarHBondContact O-CG 3.31Å; R32-R36 PolarHBondContact O-N 3.23Å
33Q77.9Confident75.3Confident116 Ų116117.6 Ų117.654%0.54255%0.545SS..Hα-helixtrans-69.3-44174.9-70.7-67.76.800111F29 V30 M35 R36 F37F29-Q33 WeakPolarHBondContact O-CB 3.45Å; F29-Q33 WeakPolarHBondContact O-CG 3.48Å; F29-Q33 PolarHBondContact O-N 3.36Å; V30-Q33 PolarHBondContact O-N 2.95Å; Q33-M35 VanDerWaalsContact C-N 3.34Å; Q33-M35 PolarHBondContact O-N 3.2Å; Q33-R36 PolarHBondContact O-N 3.16Å; Q33-F37 VanDerWaalsContact O-CB 3.29Å; Q33-F37 WeakPolarHBondContact O-CB 3.47Å; Q33-F37 PolarHBondContact O-N 3.44Å
34I75.6Confident73.8Confident105 Ų105112.5 Ų112.554%0.53853%0.534SS..Hα-helixtrans-61.8-42.9174.2-66166.3000110.4V30 R36 F37 A38V30-I34 HydrophobicContact CG1-CD1 3.62Å; V30-I34 HydrophobicContact CG1-CG1 4.32Å; V30-I34 WeakPolarHBondContact O-CB 3.46Å; V30-I34 VanDerWaalsContact O-CG1 3.26Å; V30-I34 WeakPolarHBondContact O-CG1 3.26Å; V30-I34 PolarHBondContact O-N 3.19Å; I34-R36 PolarHBondContact O-N 2.92Å; I34-F37 PolarHBondContact O-N 3.49Å; I34-A38 VanDerWaalsContact O-CB 3.26Å; I34-A38 WeakPolarHBondContact O-CB 3.48Å; I34-A38 PolarHBondContact O-N 2.82Å
35M72.8Confident72.4Confident116 Ų116114.9 Ų114.957%0.57155%0.551SS**Hα-helixtrans-60.3-45.4175.8-175179.173.400111.8K31 R32 Q33 M39K31-M35 WeakPolarHBondContact O-CB 3.3Å; K31-M35 PolarHBondContact O-N 2.72Å; R32-M35 HydrophobicContact CG-CE 4.4Å; Q33-M35 VanDerWaalsContact C-N 3.34Å; Q33-M35 PolarHBondContact O-N 3.2Å; M35-M39 WeakPolarHBondContact O-CB 3.44Å; M35-M39 WeakPolarHBondContact O-CG 3.5Å; M35-M39 PolarHBondContact O-N 3.45Å
36R66.4Low71Confident133 Ų133119.3 Ų119.350%0.50257%0.569SS.*Hα-helixtrans-65.6-38.7176.2-74-180-165.2-169.11.9112.2R32 Q33 I34 M39 R40R32-R36 WeakPolarHBondContact O-CG 3.31Å; R32-R36 PolarHBondContact O-N 3.23Å; Q33-R36 PolarHBondContact O-N 3.16Å; I34-R36 PolarHBondContact O-N 2.92Å; R36-M39 PolarHBondContact O-N 3.23Å; R36-R40 WeakPolarHBondContact O-CB 3.08Å; R36-R40 PolarHBondContact O-N 2.94Å
37F60.4Low70Confident159 Ų159117.1 Ų117.170%0.69757%0.566SS**Hα-helixtrans-69-44.7179.5-166.7-98.3000111.5Q33 I34 M39 R40 S41Q33-F37 VanDerWaalsContact O-CB 3.29Å; Q33-F37 WeakPolarHBondContact O-CB 3.47Å; Q33-F37 PolarHBondContact O-N 3.44Å; I34-F37 PolarHBondContact O-N 3.49Å; F37-M39 VanDerWaalsContact C-N 3.3Å; F37-M39 PolarHBondContact O-N 2.74Å; F37-R40 PolarHBondContact O-N 3.26Å; F37-R40 VanDerWaalsContact O-N 3.13Å; F37-S41 WeakPolarHBondContact O-CB 3.32Å; F37-S41 PolarHBondContact O-N 3.41Å; F37-S41 PolarHBondContact O-OG 3.04Å
38A60.1Low69.1Low40 Ų40114.6 Ų114.633%0.33156%0.563SS.*Hα-helixtrans-64.7-32.4174.700000112.8I34 S41 R42I34-A38 VanDerWaalsContact O-CB 3.26Å; I34-A38 WeakPolarHBondContact O-CB 3.48Å; I34-A38 PolarHBondContact O-N 2.82Å; A38-S41 PolarHBondContact O-OG 3.27Å; A38-R42 WeakPolarHBondContact O-CG 3.3Å
39M60.8Low68.5Low134 Ų134115.8 Ų115.866%0.6657%0.569SS**Hα-helixtrans-74.5-29.3173.9-70.3-73.1-91.400112.3M35 R36 F37M35-M39 WeakPolarHBondContact O-CB 3.44Å; M35-M39 WeakPolarHBondContact O-CG 3.5Å; M35-M39 PolarHBondContact O-N 3.45Å; R36-M39 PolarHBondContact O-N 3.23Å; F37-M39 VanDerWaalsContact C-N 3.3Å; F37-M39 PolarHBondContact O-N 2.74Å
40R59.7Low67.9Low179 Ų179111.5 Ų111.568%0.67556%0.556SS**Hα-helixtrans-80.9-34177-162.285.9-178.7173.12.6112.1R36 F37R36-R40 WeakPolarHBondContact O-CB 3.08Å; R36-R40 PolarHBondContact O-N 2.94Å; F37-R40 PolarHBondContact O-N 3.26Å; F37-R40 VanDerWaalsContact O-N 3.13Å
41S54.5Low67.6Low80 Ų80111.5 Ų111.556%0.55955%0.551SS**Hα-helixtrans-77.9-14.4-177.167.80000114.5F37 A38 R43F37-S41 WeakPolarHBondContact O-CB 3.32Å; F37-S41 PolarHBondContact O-N 3.41Å; F37-S41 PolarHBondContact O-OG 3.04Å; A38-S41 PolarHBondContact O-OG 3.27Å; S41-R43 PolarHBondContact O-N 3.47Å
42R57Low67.3Low200 Ų200111.2 Ų111.276%0.75556%0.556SS**THydrogen-bonded Turntrans-786174.9-74.7178.3-175-113.82.8114.6A38 G44A38-R42 WeakPolarHBondContact O-CG 3.3Å; R42-G44 PolarHBondContact O-N 3.34Å
43R56.5Low67.5Low131 Ų131106.7 Ų106.749%0.49455%0.545SS..  trans-76.370.6170.3-78.5-173.4167.194.41109.8S41S41-R43 PolarHBondContact O-N 3.47Å
44G61Low68Low39 Ų39105.7 Ų105.740%0.40255%0.548SS..  trans-68.1163.116400000110.9R42 H46R42-G44 PolarHBondContact O-N 3.34Å; G44-H46 PolarHBondContact O-N 3.46Å
45P63Low68.5Low128 Ų128107.6 Ų107.683%0.83155%0.553SS**SBendtrans-59.2-17.6-179.719-29.4000114.1
46H61.9Low69.2Low174 Ų174103.9 Ų103.981%0.80654%0.544SS*.SBendtrans-11381.1174-55.7-68.9000109.8G44G44-H46 PolarHBondContact O-N 3.46Å
47A69.4Low70.3Confident61 Ų61102 Ų10250%0.50454%0.544SS..PPolyproline II helixtrans-68.8133.8167.300000108.8H51A47-H51 HydrophobicContact CB-CB 4.2Å
48P71.3Confident71.6Confident80 Ų8099 Ų9952%0.51953%0.528SS..PPolyproline II helixtrans-60145.9177.425.1-33.1000110.1G50 H51P48-G50 PolarHBondContact O-N 3.49Å; P48-H51 HydrophobicContact CG-CB 4.18Å; P48-H51 WeakPolarHBondContact O-CB 3.37Å; P48-H51 PolarHBondContact O-N 3.44Å
49I74.8Confident73Confident115 Ų115101.9 Ų101.959%0.5953%0.534SS*.THydrogen-bonded Turntrans-57.6124.7178.8-58.2172.8000107.7I61 L65I49-I61 HydrophobicContact CB-CG2 4.46Å; I49-I61 HydrophobicContact CG2-CG2 3.88Å; I49-L65 HydrophobicContact CB-CD1 4.11Å; I49-L65 HydrophobicContact CD1-CD1 3.87Å; I49-L65 HydrophobicContact CG2-CD1 4.24Å
50G74.3Confident74.5Confident20 Ų20100 Ų10021%0.20653%0.527CS..THydrogen-bonded Turntrans83.217.9-175.100000115.6P48 N52 A53P48-G50 PolarHBondContact O-N 3.49Å; G50-N52 PolarHBondContact O-N 3.47Å; G50-N52 VanDerWaalsContact O-N 3.16Å; G50-A53 VanDerWaalsContact O-CB 3.23Å; G50-A53 WeakPolarHBondContact O-CB 3.24Å; G50-A53 PolarHBondContact O-N 2.92Å
51H76.4Confident75.9Confident69 Ų6993.6 Ų93.632%0.31951%0.505SS..THydrogen-bonded Turntrans-52-36.5178.3-177.174.5000114.7A47 P48A47-H51 HydrophobicContact CB-CB 4.2Å; P48-H51 HydrophobicContact CG-CB 4.18Å; P48-H51 WeakPolarHBondContact O-CB 3.37Å; P48-H51 PolarHBondContact O-N 3.44Å
52N78.8Confident77.5Confident137 Ų13793.3 Ų93.373%0.73350%0.498SS*.THydrogen-bonded Turntrans-93.93.5178.5-59.1-52.8000113.3G50G50-N52 PolarHBondContact O-N 3.47Å; G50-N52 VanDerWaalsContact O-N 3.16Å
53A84.9Confident79.1Confident25 Ų2586.4 Ų86.421%0.20748%0.48CS..SBendtrans-79.7150.2-179.100000111.2G50 L57 R58 I61G50-A53 VanDerWaalsContact O-CB 3.23Å; G50-A53 WeakPolarHBondContact O-CB 3.24Å; G50-A53 PolarHBondContact O-N 2.92Å; A53-L57 HydrophobicContact CB-CB 4.15Å; A53-L57 HydrophobicContact CB-CD2 3.99Å; A53-L57 HydrophobicContact CB-CG 4.04Å; A53-R58 HydrophobicContact CB-CB 4.42Å; A53-I61 HydrophobicContact CB-CD1 4.49Å
54P88.8Confident80.8Confident95 Ų9587.3 Ų87.362%0.61749%0.488SS*.  trans-52.3145.9167.9-24.133.1000111.2G56 L57 R58P54-G56 VanDerWaalsContact C-N 3.27Å; P54-G56 PolarHBondContact O-N 2.9Å; P54-G56 VanDerWaalsContact O-N 3.11Å; P54-L57 WeakPolarHBondContact O-CA 3.47Å; P54-L57 WeakPolarHBondContact O-CB 3.24Å; P54-L57 PolarHBondContact O-N 3.24Å; P54-R58 PolarHBondContact O-N 3.29Å
55K84.7Confident82.1Confident144 Ų14489 Ų8963%0.62649%0.487SS*.Hα-helixtrans-47.7-46.8-173.6-176.7-179.6171.6-175.10113.1L57 R58 E59K55-L57 PolarHBondContact O-N 3Å; K55-R58 PolarHBondContact O-N 3.37Å; K55-E59 WeakPolarHBondContact CE-OE1 3.34Å; K55-E59 WeakPolarHBondContact CG-OE1 3.27Å; K55-E59 WeakPolarHBondContact O-CG 3.14Å; K55-E59 PolarHBondContact O-N 2.98Å
56G88.9Confident83.2Confident38 Ų3885.5 Ų85.539%0.39247%0.466SS..Hα-helixtrans-65.8-34.5178.500000113.9P54 N60P54-G56 VanDerWaalsContact C-N 3.27Å; P54-G56 PolarHBondContact O-N 2.9Å; P54-G56 VanDerWaalsContact O-N 3.11Å; G56-N60 PolarHBondContact O-N 3.06Å; G56-N60 VanDerWaalsContact O-N 3.13Å; G56-N60 PolarHBondContact O-ND2 3.14Å
57L88.8Confident84.4Confident94 Ų9483 Ų8349%0.49245%0.452SS..Hα-helixtrans-72.5-39.6175.3-179.859.1000111.2A53 P54 K55 N60 I61A53-L57 HydrophobicContact CB-CB 4.15Å; A53-L57 HydrophobicContact CB-CD2 3.99Å; A53-L57 HydrophobicContact CB-CG 4.04Å; P54-L57 WeakPolarHBondContact O-CA 3.47Å; P54-L57 WeakPolarHBondContact O-CB 3.24Å; P54-L57 PolarHBondContact O-N 3.24Å; K55-L57 PolarHBondContact O-N 3Å; L57-N60 PolarHBondContact O-N 3.07Å; L57-I61 HydrophobicContact CD1-CD1 4.4Å; L57-I61 HydrophobicContact CD1-CG1 4.46Å; L57-I61 HydrophobicContact CG-CD1 4.06Å; L57-I61 VanDerWaalsContact O-CG1 3.28Å; L57-I61 WeakPolarHBondContact O-CG1 3.29Å; L57-I61 PolarHBondContact O-N 3.28Å
58R88.2Confident85Confident97 Ų9784 Ų8437%0.36645%0.453SS..Hα-helixtrans-59.8-47.8174.7-172.3-177.469.5-168.73111.5A53 P54 K55 N60 I61 D62A53-R58 HydrophobicContact CB-CB 4.42Å; P54-R58 PolarHBondContact O-N 3.29Å; K55-R58 PolarHBondContact O-N 3.37Å; R58-N60 VanDerWaalsContact C-N 3.3Å; R58-N60 PolarHBondContact O-N 2.82Å; R58-I61 WeakPolarHBondContact O-CB 3.18Å; R58-I61 PolarHBondContact O-N 3.43Å; R58-I61 VanDerWaalsContact O-N 3.11Å; R58-D62 PolarHBondContact O-N 2.64Å
59E89.3Confident85.1Confident99 Ų9987.7 Ų87.746%0.46346%0.463SS..Hα-helixtrans-60.7-38.6176.7-73.2167.5-175.100112.1K55 D62 S63K55-E59 WeakPolarHBondContact CE-OE1 3.34Å; K55-E59 WeakPolarHBondContact CG-OE1 3.27Å; K55-E59 WeakPolarHBondContact O-CG 3.14Å; K55-E59 PolarHBondContact O-N 2.98Å; E59-D62 PolarHBondContact O-N 3.42Å; E59-S63 VanDerWaalsContact O-CB 3.26Å; E59-S63 WeakPolarHBondContact O-CB 3.47Å; E59-S63 PolarHBondContact O-N 3.47Å
60N91.4Very high85.2Confident95 Ų9589.2 Ų89.251%0.50847%0.467SS..Hα-helixtrans-65.3-40.2173.4-84.9-65.9000112.7G56 L57 R58 S63 K64G56-N60 PolarHBondContact O-N 3.06Å; G56-N60 VanDerWaalsContact O-N 3.13Å; G56-N60 PolarHBondContact O-ND2 3.14Å; L57-N60 PolarHBondContact O-N 3.07Å; R58-N60 VanDerWaalsContact C-N 3.3Å; R58-N60 PolarHBondContact O-N 2.82Å; N60-S63 PolarHBondContact O-N 3.31Å; N60-K64 WeakPolarHBondContact O-CB 3.45Å; N60-K64 WeakPolarHBondContact O-CG 3.49Å; N60-K64 PolarHBondContact O-N 2.66Å
61I89.5Confident85.3Confident44 Ų4493.4 Ų93.423%0.22648%0.484CS..Hα-helixtrans-62.2-49.7175.5-70.9165000109.5I49 A53 L57 R58 S63 K64 L65I49-I61 HydrophobicContact CB-CG2 4.46Å; I49-I61 HydrophobicContact CG2-CG2 3.88Å; A53-I61 HydrophobicContact CB-CD1 4.49Å; L57-I61 HydrophobicContact CD1-CD1 4.4Å; L57-I61 HydrophobicContact CD1-CG1 4.46Å; L57-I61 HydrophobicContact CG-CD1 4.06Å; L57-I61 VanDerWaalsContact O-CG1 3.28Å; L57-I61 WeakPolarHBondContact O-CG1 3.29Å; L57-I61 PolarHBondContact O-N 3.28Å; R58-I61 WeakPolarHBondContact O-CB 3.18Å; R58-I61 PolarHBondContact O-N 3.43Å; R58-I61 VanDerWaalsContact O-N 3.11Å; I61-S63 VanDerWaalsContact C-N 3.33Å; I61-S63 PolarHBondContact O-N 3.45Å; I61-K64 PolarHBondContact O-N 2.89Å; I61-L65 HydrophobicContact CG2-CD1 3.73Å; I61-L65 HydrophobicContact CG2-CG 4.28Å; I61-L65 WeakPolarHBondContact O-CB 3.47Å; I61-L65 VanDerWaalsContact O-CG 3.29Å; I61-L65 WeakPolarHBondContact O-CG 3.46Å; I61-L65 PolarHBondContact O-N 2.83Å
62D88.9Confident85Confident74 Ų7492.4 Ų92.440%0.39648%0.484SS..Hα-helixtrans-62.1-40.3178.9-66.6-28000111.6R58 E59 L65 S66R58-D62 PolarHBondContact O-N 2.64Å; E59-D62 PolarHBondContact O-N 3.42Å; D62-L65 PolarHBondContact O-N 2.93Å; D62-S66 WeakPolarHBondContact O-CB 3.48Å; D62-S66 PolarHBondContact O-N 3.2Å; D62-S66 PolarHBondContact O-OG 2.98Å
63S91.2Very high84.8Confident56 Ų5692.9 Ų92.939%0.39248%0.48SS..Hα-helixtrans-64.1-40.4174.4179.30000112.4E59 N60 I61 S66 K67E59-S63 VanDerWaalsContact O-CB 3.26Å; E59-S63 WeakPolarHBondContact O-CB 3.47Å; E59-S63 PolarHBondContact O-N 3.47Å; N60-S63 PolarHBondContact O-N 3.31Å; I61-S63 VanDerWaalsContact C-N 3.33Å; I61-S63 PolarHBondContact O-N 3.45Å; S63-S66 VanDerWaalsContact CA-OG 3.31Å; S63-S66 WeakPolarHBondContact CA-OG 3.47Å; S63-S66 PolarHBondContact O-OG 3.4Å; S63-K67 WeakPolarHBondContact O-CG 3.24Å; S63-K67 PolarHBondContact O-N 3.39Å
64K90.6Very high84.3Confident150 Ų15092.8 Ų92.865%0.65248%0.475SS*.Hα-helixtrans-72-37.7176.7-73.8-172.7179.4-168.70112.2N60 I61 K67 V68N60-K64 WeakPolarHBondContact O-CB 3.45Å; N60-K64 WeakPolarHBondContact O-CG 3.49Å; N60-K64 PolarHBondContact O-N 2.66Å; I61-K64 PolarHBondContact O-N 2.89Å; K64-K67 WeakPolarHBondContact O-CB 3.43Å; K64-K67 PolarHBondContact O-N 2.92Å; K64-V68 PolarHBondContact O-N 3.47Å
65L88.5Confident84Confident74 Ų7491.9 Ų91.939%0.38747%0.469SS..Hα-helixtrans-68.7-36176.8-71.8174.6000112.1I49 I61 D62 K67 V68I49-L65 HydrophobicContact CB-CD1 4.11Å; I49-L65 HydrophobicContact CD1-CD1 3.87Å; I49-L65 HydrophobicContact CG2-CD1 4.24Å; I61-L65 HydrophobicContact CG2-CD1 3.73Å; I61-L65 HydrophobicContact CG2-CG 4.28Å; I61-L65 WeakPolarHBondContact O-CB 3.47Å; I61-L65 VanDerWaalsContact O-CG 3.29Å; I61-L65 WeakPolarHBondContact O-CG 3.46Å; I61-L65 PolarHBondContact O-N 2.83Å; D62-L65 PolarHBondContact O-N 2.93Å; L65-K67 VanDerWaalsContact C-N 3.33Å; L65-V68 WeakPolarHBondContact O-CB 3.39Å; L65-V68 PolarHBondContact O-N 3.47Å; L65-V68 VanDerWaalsContact O-N 3.16Å
66S86.3Confident84Confident54 Ų5489.6 Ų89.638%0.37846%0.457SS..Hα-helixtrans-63.6-38.5173.244.90000111.8D62 S63 V68 Q69D62-S66 WeakPolarHBondContact O-CB 3.48Å; D62-S66 PolarHBondContact O-N 3.2Å; D62-S66 PolarHBondContact O-OG 2.98Å; S63-S66 VanDerWaalsContact CA-OG 3.31Å; S63-S66 WeakPolarHBondContact CA-OG 3.47Å; S63-S66 PolarHBondContact O-OG 3.4Å; S66-V68 PolarHBondContact O-N 3.15Å; S66-Q69 VanDerWaalsContact O-CB 3.29Å; S66-Q69 WeakPolarHBondContact O-CB 3.42Å; S66-Q69 PolarHBondContact O-N 3.48Å
67K87.4Confident83.9Confident121 Ų12190.8 Ų90.853%0.52645%0.454SS..Hα-helixtrans-60.1-26.8172.3-70.2179.9-177.4-169.40114.1S63 K64 L65 Q69 E70S63-K67 WeakPolarHBondContact O-CG 3.24Å; S63-K67 PolarHBondContact O-N 3.39Å; K64-K67 WeakPolarHBondContact O-CB 3.43Å; K64-K67 PolarHBondContact O-N 2.92Å; L65-K67 VanDerWaalsContact C-N 3.33Å; K67-Q69 PolarHBondContact O-N 3.02Å; K67-E70 WeakPolarHBondContact O-CB 3.22Å; K67-E70 PolarHBondContact O-N 2.8Å
68V82.2Confident83.8Confident84 Ų8486.8 Ų86.851%0.50943%0.433SS..Hα-helixtrans-63.5-27.3175179.60000111.2K64 L65 S66 E70 I71K64-V68 PolarHBondContact O-N 3.47Å; L65-V68 WeakPolarHBondContact O-CB 3.39Å; L65-V68 PolarHBondContact O-N 3.47Å; L65-V68 VanDerWaalsContact O-N 3.16Å; S66-V68 PolarHBondContact O-N 3.15Å; V68-E70 VanDerWaalsContact C-N 3.26Å; V68-E70 PolarHBondContact O-N 3.41Å; V68-I71 HydrophobicContact CG1-CD1 4.38Å; V68-I71 WeakPolarHBondContact O-CB 3.29Å; V68-I71 PolarHBondContact O-N 3.45Å
69Q73.7Confident83.7Confident157 Ų15785.4 Ų85.473%0.73444%0.438SS*.Hα-helixtrans-70.8-24.6175.4-54.7-179.423.500112.4S66 K67 I71S66-Q69 VanDerWaalsContact O-CB 3.29Å; S66-Q69 WeakPolarHBondContact O-CB 3.42Å; S66-Q69 PolarHBondContact O-N 3.48Å; K67-Q69 PolarHBondContact O-N 3.02Å; Q69-I71 VanDerWaalsContact C-N 3.28Å
70E76.8Confident83.2Confident147 Ų14788.3 Ų88.369%0.68745%0.452SS*.THydrogen-bonded Turntrans-79-12.3175.7-56.8174.217700112.3K67 V68 C72K67-E70 WeakPolarHBondContact O-CB 3.22Å; K67-E70 PolarHBondContact O-N 2.8Å; V68-E70 VanDerWaalsContact C-N 3.26Å; V68-E70 PolarHBondContact O-N 3.41Å; E70-C72 PolarHBondContact O-N 3.29Å; E70-C72 PolarHBondContact O-SG 2.79Å
71I75.9Confident82.5Confident108 Ų10886.7 Ų86.755%0.55446%0.457SS*.  trans-72.697.8177.1-57.4176.1000108.5V68 Q69V68-I71 HydrophobicContact CG1-CD1 4.38Å; V68-I71 WeakPolarHBondContact O-CB 3.29Å; V68-I71 PolarHBondContact O-N 3.45Å; Q69-I71 VanDerWaalsContact C-N 3.28Å
72C70.2Confident82.1Confident48 Ų4885.9 Ų85.932%0.32445%0.453SS..  trans-95.4-2.1178.1-61.30000113.8E70 S123 A124 T126E70-C72 PolarHBondContact O-N 3.29Å; E70-C72 PolarHBondContact O-SG 2.79Å; C72-S123 VanDerWaalsContact O-O 3.07Å; C72-A124 HydrophobicContact CB-CB 4.02Å; C72-A124 WeakPolarHBondContact O-CA 3.29Å; C72-T126 VanDerWaalsContact C-CG2 3.42Å; C72-T126 VanDerWaalsContact CA-CG2 3.47Å; C72-T126 HydrophobicContact CB-CG2 4.46Å; C72-T126 VanDerWaalsContact O-CG2 3.24Å; C72-T126 WeakPolarHBondContact O-CG2 3.41Å
73F73.8Confident81.5Confident146 Ų14687.2 Ų87.264%0.6446%0.461SS*.PPolyproline II helixtrans-102.3125.3-174.2-177.6-100.3000112.1P75F73-P75 HydrophobicContact CE1-CB 4.15Å
74E76Confident81Confident24 Ų2488.5 Ų88.511%0.11246%0.457CS..PPolyproline II helixtrans-99.9124.4169-168.7154163.500109.4R109 F125 G127 R163E74-R109 PolarHBondContact O-NH2 2.96Å; E74-F125 WeakPolarHBondContact CB-O 3.46Å; E74-G127 PolarHBondContact OE2-N 3.3Å; E74-R163 IonicContact OE1-CZ 3.31Å; E74-R163 IonicContact OE1-NH1 2.82Å; E74-R163 PolarHBondContact OE1-NH1 2.98Å; E74-R163 IonicContact OE1-NH2 3.59Å; E74-R163 PolarHBondContact OE1-NH2 3.33Å; E74-R163 IonicContact OE2-CZ 3.28Å; E74-R163 IonicContact OE2-NH1 3.41Å; E74-R163 PolarHBondContact OE2-NH1 3.45Å; E74-R163 VanDerWaalsContact OE2-NH1 3.11Å; E74-R163 IonicContact OE2-NH2 3.1Å; E74-R163 PolarHBondContact OE2-NH2 3.08Å
75P80.9Confident80.1Confident75 Ų7584.1 Ų84.149%0.48744%0.44SS..PPolyproline II helixtrans-74.6153.4176.430.4-33.8000111.3F73F73-P75 HydrophobicContact CE1-CB 4.15Å
76R85.3Confident79.1Confident97 Ų9790.4 Ų90.437%0.36646%0.459SS..PPolyproline II helixtrans-67.2131.1167.6-165.3-179.2-159.1-173.45.1108.6L78 E80 D106 D110R76-L78 VanDerWaalsContact CD-O 3.3Å; R76-L78 WeakPolarHBondContact CD-O 3.26Å; R76-L78 WeakPolarHBondContact CG-O 3.23Å; R76-L78 PolarHBondContact NE-O 3.42Å; R76-E80 IonicContact CZ-OE1 2.69Å; R76-E80 IonicContact NH1-OE1 3.03Å; R76-E80 PolarHBondContact NH1-OE1 3.27Å; R76-E80 IonicContact NH2-OE1 3.27Å; R76-D106 WeakPolarHBondContact CG-OD1 3.34Å; R76-D110 IonicContact NH2-OD1 3.68Å; R76-D110 IonicContact NH2-OD2 3.59Å; R76-D110 PolarHBondContact NH2-OD2 3.09Å
77L87.6Confident78Confident63 Ų6395.4 Ų95.433%0.3347%0.469SS..SBendtrans-85.1-34.8-172.6-60177.5000112.3M102 L105 D106L77-M102 HydrophobicContact CB-CB 3.97Å; L77-M102 HydrophobicContact CB-CG 4.03Å; L77-M102 HydrophobicContact CD1-CB 4.14Å; L77-M102 HydrophobicContact CD1-CG 4.02Å; L77-L105 HydrophobicContact CD1-CB 3.96Å; L77-L105 HydrophobicContact CD1-CD1 3.65Å; L77-L105 HydrophobicContact CD1-CG 4.42Å; L77-D106 PolarHBondContact N-OD1 2.75Å; L77-D106 PolarHBondContact N-OD2 3.47Å
78L87.2Confident76.6Confident9 Ų991.5 Ų91.55%0.04746%0.463CS..SBendtrans-119.9129.6179.9-62.5168.9000111.1R76 L85 L99 M102 K103 D106R76-L78 VanDerWaalsContact CD-O 3.3Å; R76-L78 WeakPolarHBondContact CD-O 3.26Å; R76-L78 WeakPolarHBondContact CG-O 3.23Å; R76-L78 PolarHBondContact NE-O 3.42Å; L78-L85 HydrophobicContact CD1-CD2 4.24Å; L78-L99 HydrophobicContact CD1-CD1 3.93Å; L78-L99 HydrophobicContact CD2-CD1 3.6Å; L78-L99 HydrophobicContact CG-CD1 4.44Å; L78-M102 HydrophobicContact CD1-CB 3.63Å; L78-M102 HydrophobicContact CD2-CB 4.31Å; L78-M102 HydrophobicContact CD2-SD 3.92Å; L78-M102 HydrophobicContact CG-CB 3.79Å; L78-M102 HydrophobicContact CG-SD 4.36Å; L78-K103 HydrophobicContact CD1-CB 4.47Å; L78-K103 HydrophobicContact CD1-CG 3.62Å; L78-D106 PolarHBondContact N-OD2 3.45Å
79S84.7Confident75.3Confident68 Ų6893 Ų9348%0.47648%0.477SS..  trans-82.6149.8169.972.40000110.6G81 D82 L85S79-G81 PolarHBondContact O-N 2.95Å; S79-G81 VanDerWaalsContact O-N 3.13Å; S79-D82 WeakPolarHBondContact O-CB 3.31Å; S79-D82 PolarHBondContact O-N 3.28Å; S79-D82 PolarHBondContact OG-N 2.88Å; S79-L85 WeakPolarHBondContact O-CD1 3.43Å
80E78.3Confident74.3Confident161 Ų16194.4 Ų94.475%0.75248%0.484SS*.THydrogen-bonded Turntrans-59.7-25.6180-77.1165.7-151.600113.6R76R76-E80 IonicContact CZ-OE1 2.69Å; R76-E80 IonicContact NH1-OE1 3.03Å; R76-E80 PolarHBondContact NH1-OE1 3.27Å; R76-E80 IonicContact NH2-OE1 3.27Å
81G77.4Confident73Confident61 Ų6193 Ų9363%0.62948%0.479SS*.THydrogen-bonded Turntrans-98.312.4178.100000115.1S79 D83S79-G81 PolarHBondContact O-N 2.95Å; S79-G81 VanDerWaalsContact O-N 3.13Å; G81-D83 PolarHBondContact O-N 3.42Å
82D81.8Confident71.9Confident27 Ų2791.6 Ų91.614%0.14448%0.478CS..  trans-65.3122.4-174.6-166.2-38.1000111.5S79 R84 L85S79-D82 WeakPolarHBondContact O-CB 3.31Å; S79-D82 PolarHBondContact O-N 3.28Å; S79-D82 PolarHBondContact OG-N 2.88Å; D82-R84 PolarHBondContact O-N 3.06Å; D82-R84 VanDerWaalsContact O-N 3.09Å; D82-R84 WeakPolarHBondContact OD1-CB 3.49Å; D82-R84 VanDerWaalsContact OD1-CG 3.24Å; D82-R84 WeakPolarHBondContact OD1-CG 3.29Å; D82-R84 PolarHBondContact OD1-N 3.13Å; D82-R84 IonicContact OD1-NE 3.86Å; D82-R84 PolarHBondContact OD1-NE 2.96Å; D82-R84 VanDerWaalsContact OD1-NE 3.1Å; D82-R84 IonicContact OD2-CZ 2.75Å; D82-R84 VanDerWaalsContact OD2-CZ 3.27Å; D82-R84 IonicContact OD2-NE 3.78Å; D82-R84 PolarHBondContact OD2-NE 3.23Å; D82-R84 IonicContact OD2-NH2 2.82Å; D82-R84 PolarHBondContact OD2-NH2 2.86Å; D82-L85 HydrophobicContact CB-CD1 4.1Å; D82-L85 HydrophobicContact CB-CG 4.2Å; D82-L85 VanDerWaalsContact O-CB 3.29Å; D82-L85 WeakPolarHBondContact O-CB 3.44Å; D82-L85 PolarHBondContact O-N 3.21Å
83D76.8Confident71.2Confident102 Ų10296.8 Ų96.855%0.54550%0.498SS..Hα-helixtrans-58-25.6179.8-72-38.2000113.1G81 L85 R86 R87G81-D83 PolarHBondContact O-N 3.42Å; D83-L85 PolarHBondContact O-N 2.86Å; D83-R86 PolarHBondContact O-N 3.45Å; D83-R87 PolarHBondContact O-N 3.47Å; D83-R87 VanDerWaalsContact O-N 3.07Å
84R79.3Confident70.1Confident83 Ų8395.1 Ų95.131%0.31350%0.503SS..Hα-helixtrans-63.4-30.2174.9-62.2179.2-67.7172.51.8111.9D82 L99D82-R84 PolarHBondContact O-N 3.06Å; D82-R84 VanDerWaalsContact O-N 3.09Å; D82-R84 WeakPolarHBondContact OD1-CB 3.49Å; D82-R84 VanDerWaalsContact OD1-CG 3.24Å; D82-R84 WeakPolarHBondContact OD1-CG 3.29Å; D82-R84 PolarHBondContact OD1-N 3.13Å; D82-R84 IonicContact OD1-NE 3.86Å; D82-R84 PolarHBondContact OD1-NE 2.96Å; D82-R84 VanDerWaalsContact OD1-NE 3.1Å; D82-R84 IonicContact OD2-CZ 2.75Å; D82-R84 VanDerWaalsContact OD2-CZ 3.27Å; D82-R84 IonicContact OD2-NE 3.78Å; D82-R84 PolarHBondContact OD2-NE 3.23Å; D82-R84 IonicContact OD2-NH2 2.82Å; D82-R84 PolarHBondContact OD2-NH2 2.86Å; R84-L99 HydrophobicContact CB-CD1 4.21Å
85L72.4Confident69.3Low58 Ų5898 Ų9830%0.30453%0.525SS..Hα-helixtrans-73-35175.3-64172.3000111.7L78 S79 D82 D83 L99L78-L85 HydrophobicContact CD1-CD2 4.24Å; S79-L85 WeakPolarHBondContact O-CD1 3.43Å; D82-L85 HydrophobicContact CB-CD1 4.1Å; D82-L85 HydrophobicContact CB-CG 4.2Å; D82-L85 VanDerWaalsContact O-CB 3.29Å; D82-L85 WeakPolarHBondContact O-CB 3.44Å; D82-L85 PolarHBondContact O-N 3.21Å; D83-L85 PolarHBondContact O-N 2.86Å; L85-L99 HydrophobicContact CD2-CD1 4.18Å; L85-L99 HydrophobicContact CD2-CD2 4.27Å; L85-L99 HydrophobicContact CD2-CG 4.36Å
86R68.3Low69Low206 Ų20696.7 Ų96.778%0.77751%0.511SS*.Hα-helixtrans-76.6-29.8-179.1-58-173.874.5-173.34.2112.7D83D83-R86 PolarHBondContact O-N 3.45Å
87R62.7Low69Low158 Ų15894.5 Ų94.560%0.59651%0.506SS*.Hα-helixtrans-84-12.1-176.1-157.4174.2-64.5-138.30.5114.2D83 S89 Q90D83-R87 PolarHBondContact O-N 3.47Å; D83-R87 VanDerWaalsContact O-N 3.07Å; R87-S89 PolarHBondContact O-N 3.02Å; R87-S89 VanDerWaalsContact O-N 3.15Å; R87-Q90 PolarHBondContact O-N 3.01Å
88G56.8Low69Low39 Ų3995.9 Ų95.940%0.40251%0.508SS..THydrogen-bonded Turntrans-64.1-15.6-175.500000115.8
89S54.8Low69.1Low115 Ų11595.6 Ų95.680%0.80451%0.507SS*.THydrogen-bonded Turntrans-84.5-15.5-179.1-175.70000114.7R87R87-S89 PolarHBondContact O-N 3.02Å; R87-S89 VanDerWaalsContact O-N 3.15Å
90Q53.8Low69.3Low188 Ų18894 Ų9488%0.87949%0.49SS*.THydrogen-bonded Turntrans-120.5-14.9-169.7-76.3-170.2-4.700115.6R87R87-Q90 PolarHBondContact O-N 3.01Å
91M48.2Very low69.9Low118 Ų11889.2 Ų89.258%0.58147%0.465SS*.SBendtrans-127104.5-175.1-159.2788800110.6Y96M91-Y96 WeakPolarHBondContact O-CE2 3.36Å
92S53.1Low70.5Confident77 Ų7788.6 Ų88.654%0.53845%0.447SS..  trans46.297.5160.3-42.20000116.6C94 C95S92-C94 PolarHBondContact O-N 3.44Å; S92-C95 PolarHBondContact O-N 3.27Å
93Q55.7Low70.9Confident157 Ų15790.2 Ų90.273%0.73445%0.453SS*.THydrogen-bonded Turntrans-49.9-18.7175.9-159157.110.600114.9E171Q93-E171 PolarHBondContact NE2-OE2 3.29Å
94C50.8Low71.5Confident111 Ų11185.4 Ų85.475%0.7543%0.427SS*.THydrogen-bonded Turntrans-81.2-18.8176.7-78.70000116.5S92S92-C94 PolarHBondContact O-N 3.44Å
95C60.4Low72Confident85 Ų8582.4 Ų82.457%0.57442%0.417SS*.SBendtrans-93.1-2.7-165.1-86.60000116.2S92S92-C95 PolarHBondContact O-N 3.27Å
96Y73.5Confident72.7Confident47 Ų4780.2 Ų80.218%0.18441%0.406CS..  trans-124.433-170.3-60.9-76000114.7M91 Y98 L99 Y100M91-Y96 WeakPolarHBondContact O-CE2 3.36Å; Y96-Y98 VanDerWaalsContact C-N 3.25Å; Y96-Y98 AromaticContact CD1-CE1 3.9Å; Y96-Y98 HydrophobicContact CD1-CE1 3.9Å; Y96-Y98 PolarHBondContact O-N 2.95Å; Y96-L99 VanDerWaalsContact O-CB 3.24Å; Y96-L99 WeakPolarHBondContact O-CB 3.41Å; Y96-L99 PolarHBondContact O-N 2.82Å; Y96-Y100 WeakPolarHBondContact O-CD2 3.34Å; Y96-Y100 PolarHBondContact O-N 3.46Å
97N85.2Confident73.7Confident51 Ų5171.2 Ų71.227%0.27338%0.375SS..Hα-helixtrans-56.2-39.5175-69.9-22.7000112.6L99 Y100 R101 F169N97-L99 PolarHBondContact O-N 3.09Å; N97-Y100 PolarHBondContact O-N 2.82Å; N97-R101 WeakPolarHBondContact O-CG 3.46Å; N97-R101 PolarHBondContact O-N 3.11Å; N97-R101 VanDerWaalsContact O-N 3.12Å; N97-F169 CarbonylContact C-O 3.46Å; N97-F169 WeakPolarHBondContact CA-O 3.36Å; N97-F169 WeakPolarHBondContact CB-O 3.15Å
98Y87.1Confident74.8Confident92 Ų9264 Ų6436%0.36135%0.348SS..Hα-helixtrans-61.6-29.5176.976-91.4000112.7Y96 R101 M102Y96-Y98 VanDerWaalsContact C-N 3.25Å; Y96-Y98 AromaticContact CD1-CE1 3.9Å; Y96-Y98 HydrophobicContact CD1-CE1 3.9Å; Y96-Y98 PolarHBondContact O-N 2.95Å; Y98-R101 PolarHBondContact O-N 3.05Å; Y98-M102 HydrophobicContact CD2-CE 3.84Å; Y98-M102 HydrophobicContact CD2-SD 3.95Å; Y98-M102 HydrophobicContact CE2-CE 4.41Å; Y98-M102 HydrophobicContact CE2-SD 4.31Å; Y98-M102 VanDerWaalsContact O-CG 3.29Å; Y98-M102 WeakPolarHBondContact O-CG 2.82Å; Y98-M102 PolarHBondContact O-N 3.4Å
99L89.4Confident75.9Confident4 Ų466.8 Ų66.82%0.02135%0.347CS..Hα-helixtrans-69.9-41.5179.9-169.270.2000110.4L78 R84 L85 Y96 N97 R101 M102 K103L78-L99 HydrophobicContact CD1-CD1 3.93Å; L78-L99 HydrophobicContact CD2-CD1 3.6Å; L78-L99 HydrophobicContact CG-CD1 4.44Å; R84-L99 HydrophobicContact CB-CD1 4.21Å; L85-L99 HydrophobicContact CD2-CD1 4.18Å; L85-L99 HydrophobicContact CD2-CD2 4.27Å; L85-L99 HydrophobicContact CD2-CG 4.36Å; Y96-L99 VanDerWaalsContact O-CB 3.24Å; Y96-L99 WeakPolarHBondContact O-CB 3.41Å; Y96-L99 PolarHBondContact O-N 2.82Å; N97-L99 PolarHBondContact O-N 3.09Å; L99-R101 VanDerWaalsContact C-N 3.34Å; L99-M102 PolarHBondContact O-N 3.13Å; L99-K103 WeakPolarHBondContact O-CG 3.48Å; L99-K103 PolarHBondContact O-N 3.34Å
100Y88.8Confident77.2Confident34 Ų3466.1 Ų66.113%0.13333%0.334CS..Hα-helixtrans-66.5-35.4174.9-68.2-68000112.3Y96 N97 K103 A104 G170 E171 F174Y96-Y100 WeakPolarHBondContact O-CD2 3.34Å; Y96-Y100 PolarHBondContact O-N 3.46Å; N97-Y100 PolarHBondContact O-N 2.82Å; Y100-K103 HydrophobicContact CD1-CD 4.24Å; Y100-K103 PolarHBondContact O-N 3.02Å; Y100-A104 WeakPolarHBondContact O-CB 3.3Å; Y100-A104 PolarHBondContact O-N 3.44Å; Y100-G170 WeakPolarHBondContact CB-O 3.33Å; Y100-E171 HydrophobicContact CD1-CB 4.41Å; Y100-E171 HydrophobicContact CE1-CB 3.77Å; Y100-E171 HydrophobicContact CE1-CG 3.9Å; Y100-E171 HydrophobicContact CE2-CB 4.02Å; Y100-F174 HydrophobicContact CD1-CB 3.93Å; Y100-F174 HydrophobicContact CD1-CD1 4.05Å; Y100-F174 HydrophobicContact CD1-CG 4.06Å; Y100-F174 HydrophobicContact CG-CB 4.37Å
101R91.4Very high78.3Confident60 Ų6058 Ų5823%0.22630%0.298CS..Hα-helixtrans-62.1-45.4171.1-64.9178.4177.3-152.40.2112.2N97 Y98 L99 A104 L105 A162 G165 G167 F169N97-R101 WeakPolarHBondContact O-CG 3.46Å; N97-R101 PolarHBondContact O-N 3.11Å; N97-R101 VanDerWaalsContact O-N 3.12Å; Y98-R101 PolarHBondContact O-N 3.05Å; L99-R101 VanDerWaalsContact C-N 3.34Å; R101-A104 PolarHBondContact O-N 2.87Å; R101-L105 WeakPolarHBondContact O-CG 3.5Å; R101-L105 PolarHBondContact O-N 2.76Å; R101-A162 WeakPolarHBondContact CD-O 3.34Å; R101-G165 VanDerWaalsContact CZ-O 3.23Å; R101-G165 PolarHBondContact NH1-O 2.96Å; R101-G165 PolarHBondContact NH2-O 2.99Å; R101-G167 PolarHBondContact NH2-O 2.8Å; R101-F169 HydrophobicContact CB-CD1 4.45Å; R101-F169 HydrophobicContact CG-CB 3.74Å; R101-F169 HydrophobicContact CG-CD1 3.72Å; R101-F169 HydrophobicContact CG-CG 3.9Å
102M90.3Very high79.3Confident49 Ų4955.4 Ų55.424%0.24130%0.301CS..Hα-helixtrans-62.4-44.1176.2-69.7173.8177.900111.3L77 L78 Y98 L99 A104 L105 D106L77-M102 HydrophobicContact CB-CB 3.97Å; L77-M102 HydrophobicContact CB-CG 4.03Å; L77-M102 HydrophobicContact CD1-CB 4.14Å; L77-M102 HydrophobicContact CD1-CG 4.02Å; L78-M102 HydrophobicContact CD1-CB 3.63Å; L78-M102 HydrophobicContact CD2-CB 4.31Å; L78-M102 HydrophobicContact CD2-SD 3.92Å; L78-M102 HydrophobicContact CG-CB 3.79Å; L78-M102 HydrophobicContact CG-SD 4.36Å; Y98-M102 HydrophobicContact CD2-CE 3.84Å; Y98-M102 HydrophobicContact CD2-SD 3.95Å; Y98-M102 HydrophobicContact CE2-CE 4.41Å; Y98-M102 HydrophobicContact CE2-SD 4.31Å; Y98-M102 VanDerWaalsContact O-CG 3.29Å; Y98-M102 WeakPolarHBondContact O-CG 2.82Å; Y98-M102 PolarHBondContact O-N 3.4Å; L99-M102 PolarHBondContact O-N 3.13Å; M102-A104 VanDerWaalsContact C-N 3.34Å; M102-A104 PolarHBondContact O-N 2.95Å; M102-L105 PolarHBondContact O-N 3.46Å; M102-D106 PolarHBondContact O-N 3.17Å
103K89.4Confident80.1Confident61 Ų6152.6 Ų52.627%0.26528%0.28SS..Hα-helixtrans-59-41.9174.5-73.9178.2178.2179.70112.4L78 L99 Y100 L105 D106 A107 F174L78-K103 HydrophobicContact CD1-CB 4.47Å; L78-K103 HydrophobicContact CD1-CG 3.62Å; L99-K103 WeakPolarHBondContact O-CG 3.48Å; L99-K103 PolarHBondContact O-N 3.34Å; Y100-K103 HydrophobicContact CD1-CD 4.24Å; Y100-K103 PolarHBondContact O-N 3.02Å; K103-L105 VanDerWaalsContact C-N 3.33Å; K103-L105 PolarHBondContact O-N 3.41Å; K103-D106 PolarHBondContact O-N 3.09Å; K103-A107 VanDerWaalsContact O-CB 3.23Å; K103-A107 WeakPolarHBondContact O-CB 3.14Å; K103-A107 PolarHBondContact O-N 3.3Å; K103-F174 HydrophobicContact CB-CD2 4.06Å; K103-F174 HydrophobicContact CB-CE1 4.49Å; K103-F174 HydrophobicContact CB-CE2 3.55Å; K103-F174 HydrophobicContact CB-CZ 3.79Å; K103-F174 HydrophobicContact CD-CE1 4.35Å; K103-F174 HydrophobicContact CD-CZ 4.36Å
104A91.1Very high80.4Confident1 Ų147.8 Ų47.81%0.00826%0.262CS..Hα-helixtrans-60.7-43.1178.600000111.7Y100 R101 M102 A107 A162 F169 F174 Y177Y100-A104 WeakPolarHBondContact O-CB 3.3Å; Y100-A104 PolarHBondContact O-N 3.44Å; R101-A104 PolarHBondContact O-N 2.87Å; M102-A104 VanDerWaalsContact C-N 3.34Å; M102-A104 PolarHBondContact O-N 2.95Å; A104-A107 PolarHBondContact O-N 2.86Å; A104-A162 HydrophobicContact CB-CB 3.9Å; A104-F169 HydrophobicContact CB-CE1 3.93Å; A104-F169 HydrophobicContact CB-CZ 3.97Å; A104-F174 HydrophobicContact CB-CD2 4.03Å; A104-F174 HydrophobicContact CB-CE2 4.41Å; A104-Y177 HydrophobicContact CB-CD1 3.88Å; A104-Y177 HydrophobicContact CB-CE1 3.93Å; A104-Y177 WeakPolarHBondContact O-CE1 3.34Å
105L88.4Confident80.7Confident20 Ų2043 Ų4311%0.10523%0.229CC..Hα-helixtrans-69.4-42.1179.3-64.9176.2000112.3L77 R101 M102 K103 A107 Y159 R163L77-L105 HydrophobicContact CD1-CB 3.96Å; L77-L105 HydrophobicContact CD1-CD1 3.65Å; L77-L105 HydrophobicContact CD1-CG 4.42Å; R101-L105 WeakPolarHBondContact O-CG 3.5Å; R101-L105 PolarHBondContact O-N 2.76Å; M102-L105 PolarHBondContact O-N 3.46Å; K103-L105 VanDerWaalsContact C-N 3.33Å; K103-L105 PolarHBondContact O-N 3.41Å; L105-A107 VanDerWaalsContact C-N 3.33Å; L105-Y159 HydrophobicContact CD2-CD2 4.17Å; L105-Y159 HydrophobicContact CD2-CE2 3.65Å; L105-R163 HydrophobicContact CD2-CB 4.23Å; L105-R163 HydrophobicContact CD2-CG 4.36Å
106D88.4Confident80.3Confident12 Ų1244 Ų446%0.06423%0.226CC..Hα-helixtrans-68.2-33.3176.8-73.5-26.1000111.6R76 L77 L78 M102 K103 I108 R109 D110R76-D106 WeakPolarHBondContact CG-OD1 3.34Å; L77-D106 PolarHBondContact N-OD1 2.75Å; L77-D106 PolarHBondContact N-OD2 3.47Å; L78-D106 PolarHBondContact N-OD2 3.45Å; M102-D106 PolarHBondContact O-N 3.17Å; K103-D106 PolarHBondContact O-N 3.09Å; D106-I108 PolarHBondContact O-N 3.33Å; D106-R109 WeakPolarHBondContact O-CB 3.39Å; D106-R109 PolarHBondContact O-N 2.9Å; D106-D110 PolarHBondContact O-N 3.38Å; D106-D110 VanDerWaalsContact O-N 3.14Å
107A88.6Confident79.2Confident16 Ų1649.6 Ų49.613%0.13225%0.254CS..Hα-helixtrans-60-31.1179.300000113.3K103 A104 L105 R109 D110 S111 L181K103-A107 VanDerWaalsContact O-CB 3.23Å; K103-A107 WeakPolarHBondContact O-CB 3.14Å; K103-A107 PolarHBondContact O-N 3.3Å; A104-A107 PolarHBondContact O-N 2.86Å; L105-A107 VanDerWaalsContact C-N 3.33Å; A107-R109 VanDerWaalsContact C-N 3.3Å; A107-R109 PolarHBondContact O-N 2.8Å; A107-D110 PolarHBondContact O-N 3.3Å; A107-S111 WeakPolarHBondContact O-CB 3.24Å; A107-S111 PolarHBondContact O-N 2.93Å; A107-L181 HydrophobicContact CB-CD2 4.22Å
108I85.6Confident77.4Confident6 Ų651.6 Ų51.63%0.03126%0.263CS..Hα-helixtrans-65.7-38.6176.9-52.5161.3000110.5D106 D110 S111 F125 F130 Y159 Y177 L181D106-I108 PolarHBondContact O-N 3.33Å; I108-D110 VanDerWaalsContact C-N 3.35Å; I108-S111 PolarHBondContact O-N 2.97Å; I108-S111 PolarHBondContact O-OG 3.24Å; I108-F125 HydrophobicContact CB-CZ 3.77Å; I108-F125 HydrophobicContact CD1-CZ 4.4Å; I108-F125 HydrophobicContact CG2-CE2 3.72Å; I108-F125 HydrophobicContact CG2-CZ 3.39Å; I108-F130 HydrophobicContact CD1-CD1 3.8Å; I108-F130 HydrophobicContact CD1-CE1 3.89Å; I108-F130 HydrophobicContact CD1-CG 4.29Å; I108-F130 HydrophobicContact CD1-CZ 4.46Å; I108-F130 HydrophobicContact CG1-CE1 4.26Å; I108-F130 HydrophobicContact CG1-CZ 4.37Å; I108-F130 HydrophobicContact CG2-CD1 4.37Å; I108-F130 HydrophobicContact CG2-CD2 3.55Å; I108-F130 HydrophobicContact CG2-CE1 4.39Å; I108-F130 HydrophobicContact CG2-CE2 3.59Å; I108-F130 HydrophobicContact CG2-CG 3.95Å; I108-F130 HydrophobicContact CG2-CZ 4.02Å; I108-Y159 HydrophobicContact CD1-CD2 3.55Å; I108-Y159 HydrophobicContact CD1-CE2 3.46Å; I108-Y159 VanDerWaalsContact CD1-CE2 3.46Å; I108-Y177 VanDerWaalsContact CD1-OH 3.24Å; I108-Y177 WeakPolarHBondContact CD1-OH 3.43Å; I108-Y177 HydrophobicContact CG1-CE1 4.48Å; I108-Y177 WeakPolarHBondContact CG1-OH 3.47Å; I108-L181 HydrophobicContact CG1-CD1 4.27Å
109R79.3Confident75.4Confident99 Ų9949.4 Ų49.437%0.37426%0.262SS..Hα-helixtrans-65.9-42.4175.3177.9178.7-64.4-152.6-3.2111E74 D106 A107 S111E74-R109 PolarHBondContact O-NH2 2.96Å; D106-R109 WeakPolarHBondContact O-CB 3.39Å; D106-R109 PolarHBondContact O-N 2.9Å; A107-R109 VanDerWaalsContact C-N 3.3Å; A107-R109 PolarHBondContact O-N 2.8Å; R109-S111 VanDerWaalsContact C-N 3.26Å; R109-S111 PolarHBondContact O-N 3.1Å
110D82.1Confident73.4Confident101 Ų10152.4 Ų52.454%0.5429%0.293SS..Hα-helixtrans-73.1-20.5-177.5-63.7-18000112.2R76 D106 A107 I108 G112R76-D110 IonicContact NH2-OD1 3.68Å; R76-D110 IonicContact NH2-OD2 3.59Å; R76-D110 PolarHBondContact NH2-OD2 3.09Å; D106-D110 PolarHBondContact O-N 3.38Å; D106-D110 VanDerWaalsContact O-N 3.14Å; A107-D110 PolarHBondContact O-N 3.3Å; I108-D110 VanDerWaalsContact C-N 3.35Å; D110-G112 PolarHBondContact O-N 3.22Å
111S78Confident71.3Confident18 Ų1854.1 Ų54.113%0.12631%0.307CS..THydrogen-bonded Turntrans-66.9-15.6179.973.40000114.7A107 I108 R109 I113A107-S111 WeakPolarHBondContact O-CB 3.24Å; A107-S111 PolarHBondContact O-N 2.93Å; I108-S111 PolarHBondContact O-N 2.97Å; I108-S111 PolarHBondContact O-OG 3.24Å; R109-S111 VanDerWaalsContact C-N 3.26Å; R109-S111 PolarHBondContact O-N 3.1Å; S111-I113 PolarHBondContact O-N 3.39Å; S111-I113 VanDerWaalsContact O-N 3.16Å; S111-I113 WeakPolarHBondContact OG-CG1 3.34Å
112G67.8Low69.2Low62 Ų6256.6 Ų56.664%0.63933%0.331SS*.THydrogen-bonded Turntrans65.217.1176.300000114.4D110 P114D110-G112 PolarHBondContact O-N 3.22Å; G112-P114 WeakPolarHBondContact O-CD 3.43Å
113I71.1Confident67Low19 Ų1958 Ų5810%0.09735%0.346CS..  trans-61.6124.6172.9-60.4170.8000107.5S111 V115 W133 L184 V185S111-I113 PolarHBondContact O-N 3.39Å; S111-I113 VanDerWaalsContact O-N 3.16Å; S111-I113 WeakPolarHBondContact OG-CG1 3.34Å; I113-V115 HydrophobicContact CB-CG2 3.94Å; I113-V115 HydrophobicContact CG2-CG2 3.51Å; I113-V115 PolarHBondContact O-N 3.4Å; I113-W133 HydrophobicContact CD1-CH2 4.28Å; I113-W133 HydrophobicContact CD1-CZ3 4.34Å; I113-W133 HydrophobicContact CG2-CH2 3.62Å; I113-W133 HydrophobicContact CG2-CZ2 3.76Å; I113-W133 HydrophobicContact CG2-CZ3 4.2Å; I113-L184 HydrophobicContact CD1-CD2 4.43Å; I113-V185 HydrophobicContact CD1-CG2 3.91Å; I113-V185 HydrophobicContact CG1-CG2 3.6Å
114P61.9Low65Low55 Ų5555.9 Ų55.936%0.35734%0.34SS..  trans-74.260.4179.330-33.5000111.2G112 Q116 E117G112-P114 WeakPolarHBondContact O-CD 3.43Å; P114-Q116 PolarHBondContact O-N 2.69Å; P114-E117 PolarHBondContact O-N 3.03Å
115V56Low63.3Low10 Ų1057.7 Ų57.76%0.06135%0.348CS..Hα-helixtrans-65.7-23.4176.1-175.20000110.7I113 I118 S119 W133I113-V115 HydrophobicContact CB-CG2 3.94Å; I113-V115 HydrophobicContact CG2-CG2 3.51Å; I113-V115 PolarHBondContact O-N 3.4Å; V115-I118 PolarHBondContact O-N 3.2Å; V115-S119 PolarHBondContact O-N 3.36Å; V115-S119 PolarHBondContact O-OG 3.1Å; V115-W133 HydrophobicContact CG1-CB 4.16Å; V115-W133 HydrophobicContact CG1-CG 4.14Å; V115-W133 HydrophobicContact CG2-CD2 4.32Å; V115-W133 HydrophobicContact CG2-CE3 4.45Å
116Q53.3Low61.8Low107 Ų10758.3 Ų58.350%0.535%0.352SS..Hα-helixtrans-74.8-27.3-175.9-159.2155.259.600113.6P114 P122P114-Q116 PolarHBondContact O-N 2.69Å; Q116-P122 HydrophobicContact CG-CB 4.5Å; Q116-P122 VanDerWaalsContact NE2-C 3.3Å; Q116-P122 PolarHBondContact NE2-O 3.38Å
117E49.9Very low60.1Low165 Ų16558 Ų5877%0.77135%0.352SS*.Hα-helixtrans-76.7-28.7174.6-75.9-179.3161.300112.1P114P114-E117 PolarHBondContact O-N 3.03Å
118I46.8Very low58.6Low92 Ų9265.9 Ų65.947%0.47238%0.378SS..Hα-helixtrans-85.4-29.2-176.1-58.3167.4000111.2V115 G120V115-I118 PolarHBondContact O-N 3.2Å; I118-G120 VanDerWaalsContact C-N 3.33Å; I118-G120 PolarHBondContact O-N 2.93Å
119S45.5Very low57.9Low47 Ų4766.5 Ų66.533%0.32938%0.383SS..SBendtrans-84.70.1-179.5730000114.8V115 T121V115-S119 PolarHBondContact O-N 3.36Å; V115-S119 PolarHBondContact O-OG 3.1Å; S119-T121 PolarHBondContact O-N 2.91Å; S119-T121 PolarHBondContact O-OG1 3.09Å
120G47.3Very low57.8Low66 Ų6661.8 Ų61.868%0.6837%0.365SS*.SBendtrans63.90.3175.600000115.7I118I118-G120 VanDerWaalsContact C-N 3.33Å; I118-G120 PolarHBondContact O-N 2.93Å
121T46.1Very low57.9Low70 Ų7062 Ų6243%0.42936%0.358SS..  trans-133.4119.7-179.852.60000111.2S119 S123S119-T121 PolarHBondContact O-N 2.91Å; S119-T121 PolarHBondContact O-OG1 3.09Å; T121-S123 PolarHBondContact O-N 2.9Å
122P45.9Very low58Low112 Ų11265.5 Ų65.573%0.72738%0.376SS*.THydrogen-bonded Turntrans-72.811.6-172.426.9-33.2000115.1Q116Q116-P122 HydrophobicContact CG-CB 4.5Å; Q116-P122 VanDerWaalsContact NE2-C 3.3Å; Q116-P122 PolarHBondContact NE2-O 3.38Å
123S45Very low58.6Low79 Ų7963.3 Ų63.355%0.55235%0.348SS*.THydrogen-bonded Turntrans-130.12.8-173.382.20000116.4C72 T121C72-S123 VanDerWaalsContact O-O 3.07Å; T121-S123 PolarHBondContact O-N 2.9Å
124A48.1Very low59.2Low17 Ų1762.4 Ų62.414%0.1434%0.344CS..  trans-117.463.9-168.200000113.9C72 T126 S129C72-A124 HydrophobicContact CB-CB 4.02Å; C72-A124 WeakPolarHBondContact O-CA 3.29Å; A124-T126 PolarHBondContact O-N 3.43Å; A124-T126 VanDerWaalsContact O-N 3.09Å; A124-S129 VanDerWaalsContact O-CB 3.27Å; A124-S129 WeakPolarHBondContact O-CB 3.46Å; A124-S129 PolarHBondContact O-OG 3.28Å
125F53.6Low60.3Low39 Ų3961.9 Ų61.917%0.17134%0.339CS..  trans-81.370.1154.6-164.7-94.2000107.9E74 I108 F130E74-F125 WeakPolarHBondContact CB-O 3.46Å; I108-F125 HydrophobicContact CB-CZ 3.77Å; I108-F125 HydrophobicContact CD1-CZ 4.4Å; I108-F125 HydrophobicContact CG2-CE2 3.72Å; I108-F125 HydrophobicContact CG2-CZ 3.39Å; F125-F130 HydrophobicContact CE2-CB 4.19Å; F125-F130 HydrophobicContact CZ-CB 4.31Å
126T56.9Low61.5Low32 Ų3266.9 Ų66.920%0.19636%0.362CS..  trans-90.1150.5159.2630000107C72 A124 R128 S129C72-T126 VanDerWaalsContact C-CG2 3.42Å; C72-T126 VanDerWaalsContact CA-CG2 3.47Å; C72-T126 HydrophobicContact CB-CG2 4.46Å; C72-T126 VanDerWaalsContact O-CG2 3.24Å; C72-T126 WeakPolarHBondContact O-CG2 3.41Å; A124-T126 PolarHBondContact O-N 3.43Å; A124-T126 VanDerWaalsContact O-N 3.09Å; T126-R128 PolarHBondContact O-N 3.2Å; T126-S129 PolarHBondContact O-N 3.47Å; T126-S129 PolarHBondContact O-OG 3.37Å
127G53.9Low62.7Low6 Ų663.1 Ų63.16%0.06235%0.345CS..Hα-helixtrans-53.7-12.6175.200000117.8E74 Y159 R163E74-G127 PolarHBondContact OE2-N 3.3Å; G127-Y159 VanDerWaalsContact C-OH 3.24Å; G127-Y159 WeakPolarHBondContact CA-OH 3.44Å; G127-Y159 PolarHBondContact O-OH 3.23Å; G127-R163 VanDerWaalsContact CA-CZ 3.45Å
128R57.3Low64.1Low182 Ų18260.6 Ų60.669%0.68733%0.329SS*.Hα-helixtrans-72.3-32.3168.9-79.7-175-108.4-141.1-2.2112.7T126 N132T126-R128 PolarHBondContact O-N 3.2Å; R128-N132 WeakPolarHBondContact O-CB 3.38Å; R128-N132 PolarHBondContact O-N 2.89Å; R128-N132 VanDerWaalsContact O-N 3.09Å; R128-N132 PolarHBondContact O-ND2 2.84Å; R128-N132 VanDerWaalsContact O-ND2 3.17Å; R128-N132 PolarHBondContact O-OD1 2.84Å
129S69.3Low65.6Low19 Ų1961 Ų6113%0.13333%0.332CS..Hα-helixtrans-71.6-41-179.464.50000112.6A124 T126 W133A124-S129 VanDerWaalsContact O-CB 3.27Å; A124-S129 WeakPolarHBondContact O-CB 3.46Å; A124-S129 PolarHBondContact O-OG 3.28Å; T126-S129 PolarHBondContact O-N 3.47Å; T126-S129 PolarHBondContact O-OG 3.37Å; S129-W133 WeakPolarHBondContact O-CB 3.29Å; S129-W133 PolarHBondContact O-N 2.98Å
130F78.1Confident67Low0 Ų060.8 Ų60.80%033%0.33CS..Hα-helixtrans-66.3-46.8178.7-177.1-112.4000112.8I108 F125 W133 L134 Y159 L181I108-F130 HydrophobicContact CD1-CD1 3.8Å; I108-F130 HydrophobicContact CD1-CE1 3.89Å; I108-F130 HydrophobicContact CD1-CG 4.29Å; I108-F130 HydrophobicContact CD1-CZ 4.46Å; I108-F130 HydrophobicContact CG1-CE1 4.26Å; I108-F130 HydrophobicContact CG1-CZ 4.37Å; I108-F130 HydrophobicContact CG2-CD1 4.37Å; I108-F130 HydrophobicContact CG2-CD2 3.55Å; I108-F130 HydrophobicContact CG2-CE1 4.39Å; I108-F130 HydrophobicContact CG2-CE2 3.59Å; I108-F130 HydrophobicContact CG2-CG 3.95Å; I108-F130 HydrophobicContact CG2-CZ 4.02Å; F125-F130 HydrophobicContact CE2-CB 4.19Å; F125-F130 HydrophobicContact CZ-CB 4.31Å; F130-W133 AromaticContact CD2-CE3 3.96Å; F130-W133 HydrophobicContact CD2-CE3 3.96Å; F130-W133 HydrophobicContact CD2-CZ3 4.34Å; F130-W133 AromaticContact CE2-CE3 3.9Å; F130-W133 HydrophobicContact CE2-CE3 3.9Å; F130-W133 AromaticContact CE2-CZ3 3.82Å; F130-W133 HydrophobicContact CE2-CZ3 3.82Å; F130-W133 WeakPolarHBondContact O-CB 3.42Å; F130-W133 PolarHBondContact O-N 3.21Å; F130-L134 HydrophobicContact CD1-CD1 3.97Å; F130-L134 HydrophobicContact CD1-CG 4.5Å; F130-L134 HydrophobicContact CE1-CD1 3.4Å; F130-L134 VanDerWaalsContact CE1-CD1 3.4Å; F130-L134 HydrophobicContact CE1-CG 4.12Å; F130-L134 HydrophobicContact CE2-CD1 4.36Å; F130-L134 HydrophobicContact CE2-CD2 4.39Å; F130-L134 HydrophobicContact CE2-CG 4.23Å; F130-L134 HydrophobicContact CZ-CD1 3.64Å; F130-L134 HydrophobicContact CZ-CD2 4.19Å; F130-L134 HydrophobicContact CZ-CG 3.99Å; F130-L134 WeakPolarHBondContact O-CG 3.36Å; F130-L134 PolarHBondContact O-N 3.28Å; F130-Y159 HydrophobicContact CD1-CD1 4.5Å; F130-Y159 AromaticContact CD1-CD2 3.77Å; F130-Y159 HydrophobicContact CD1-CD2 3.77Å; F130-Y159 AromaticContact CD1-CE2 3.9Å; F130-Y159 HydrophobicContact CD1-CE2 3.9Å; F130-Y159 HydrophobicContact CD1-CG 4.07Å; F130-Y159 HydrophobicContact CE1-CD2 4.04Å; F130-Y159 HydrophobicContact CE1-CG 4.27Å; F130-L181 HydrophobicContact CZ-CD1 4.1Å
131R83.6Confident67.4Low105 Ų10566 Ų6640%0.39634%0.337SS..Hα-helixtrans-62.4-45.9176.8-174.1-178.3179.1-76.6-0.5111.6W133 L134 V135 L156 Y159 D160R131-W133 VanDerWaalsContact C-N 3.29Å; R131-W133 PolarHBondContact O-N 2.88Å; R131-L134 PolarHBondContact O-N 3.28Å; R131-V135 VanDerWaalsContact O-CG2 3.29Å; R131-V135 WeakPolarHBondContact O-CG2 2.89Å; R131-V135 PolarHBondContact O-N 3.28Å; R131-L156 HydrophobicContact CG-CD2 3.83Å; R131-Y159 HydrophobicContact CB-CD1 4.45Å; R131-Y159 HydrophobicContact CB-CE1 4.15Å; R131-D160 IonicContact NE-OD1 3.11Å; R131-D160 IonicContact NE-OD2 3.45Å
132N81.4Confident68.1Low92 Ų9263.9 Ų63.949%0.49232%0.324SS..Hα-helixtrans-62.3-40.4177.8-70.5-8.9000111.1R128 V135 E136R128-N132 WeakPolarHBondContact O-CB 3.38Å; R128-N132 PolarHBondContact O-N 2.89Å; R128-N132 VanDerWaalsContact O-N 3.09Å; R128-N132 PolarHBondContact O-ND2 2.84Å; R128-N132 VanDerWaalsContact O-ND2 3.17Å; R128-N132 PolarHBondContact O-OD1 2.84Å; N132-V135 PolarHBondContact O-N 2.75Å; N132-E136 WeakPolarHBondContact O-CB 3.19Å; N132-E136 PolarHBondContact O-N 3.49Å
133W80.5Confident68.2Low16 Ų1666.4 Ų66.46%0.06133%0.331CS..Hα-helixtrans-62.6-44.8175.4175.177.7000112.4I113 V115 S129 F130 R131 V135 E136 L137 L184 V188I113-W133 HydrophobicContact CD1-CH2 4.28Å; I113-W133 HydrophobicContact CD1-CZ3 4.34Å; I113-W133 HydrophobicContact CG2-CH2 3.62Å; I113-W133 HydrophobicContact CG2-CZ2 3.76Å; I113-W133 HydrophobicContact CG2-CZ3 4.2Å; V115-W133 HydrophobicContact CG1-CB 4.16Å; V115-W133 HydrophobicContact CG1-CG 4.14Å; V115-W133 HydrophobicContact CG2-CD2 4.32Å; V115-W133 HydrophobicContact CG2-CE3 4.45Å; S129-W133 WeakPolarHBondContact O-CB 3.29Å; S129-W133 PolarHBondContact O-N 2.98Å; F130-W133 AromaticContact CD2-CE3 3.96Å; F130-W133 HydrophobicContact CD2-CE3 3.96Å; F130-W133 HydrophobicContact CD2-CZ3 4.34Å; F130-W133 AromaticContact CE2-CE3 3.9Å; F130-W133 HydrophobicContact CE2-CE3 3.9Å; F130-W133 AromaticContact CE2-CZ3 3.82Å; F130-W133 HydrophobicContact CE2-CZ3 3.82Å; F130-W133 WeakPolarHBondContact O-CB 3.42Å; F130-W133 PolarHBondContact O-N 3.21Å; R131-W133 VanDerWaalsContact C-N 3.29Å; R131-W133 PolarHBondContact O-N 2.88Å; W133-V135 VanDerWaalsContact C-N 3.33Å; W133-V135 PolarHBondContact O-N 3.16Å; W133-E136 PolarHBondContact O-N 3.42Å; W133-L137 HydrophobicContact CH2-CD2 4.08Å; W133-L137 HydrophobicContact CZ2-CD2 4.2Å; W133-L137 VanDerWaalsContact O-CB 3.31Å; W133-L137 WeakPolarHBondContact O-CB 3.41Å; W133-L137 PolarHBondContact O-N 3.18Å; W133-L184 HydrophobicContact CH2-CD2 3.75Å; W133-L184 HydrophobicContact CH2-CG 4.24Å; W133-L184 HydrophobicContact CZ3-CD2 3.66Å; W133-V188 HydrophobicContact CH2-CG2 4.2Å; W133-V188 HydrophobicContact CZ2-CG2 4.23Å
134L82.9Confident68.8Low0 Ų063.2 Ų63.20%031%0.307CS..Hα-helixtrans-61.5-41.3174.4-74.5179000112.1F130 R131 L137 R138 I152 L155 L156 L184F130-L134 HydrophobicContact CD1-CD1 3.97Å; F130-L134 HydrophobicContact CD1-CG 4.5Å; F130-L134 HydrophobicContact CE1-CD1 3.4Å; F130-L134 VanDerWaalsContact CE1-CD1 3.4Å; F130-L134 HydrophobicContact CE1-CG 4.12Å; F130-L134 HydrophobicContact CE2-CD1 4.36Å; F130-L134 HydrophobicContact CE2-CD2 4.39Å; F130-L134 HydrophobicContact CE2-CG 4.23Å; F130-L134 HydrophobicContact CZ-CD1 3.64Å; F130-L134 HydrophobicContact CZ-CD2 4.19Å; F130-L134 HydrophobicContact CZ-CG 3.99Å; F130-L134 WeakPolarHBondContact O-CG 3.36Å; F130-L134 PolarHBondContact O-N 3.28Å; R131-L134 PolarHBondContact O-N 3.28Å; L134-L137 PolarHBondContact O-N 2.88Å; L134-R138 WeakPolarHBondContact O-CB 3.43Å; L134-R138 PolarHBondContact O-N 2.83Å; L134-I152 HydrophobicContact CB-CG2 4.21Å; L134-I152 HydrophobicContact CD2-CG2 4.41Å; L134-I152 WeakPolarHBondContact O-CG2 3.5Å; L134-L155 HydrophobicContact CD1-CB 4.13Å; L134-L156 HydrophobicContact CB-CD2 3.7Å; L134-L156 HydrophobicContact CB-CG 4.09Å; L134-L156 HydrophobicContact CD1-CD2 3.79Å; L134-L156 HydrophobicContact CD1-CG 4.03Å; L134-L156 HydrophobicContact CG-CD2 4.43Å; L134-L184 HydrophobicContact CD2-CD2 3.63Å
135V84.5Confident69.2Low44 Ų4467.3 Ų67.327%0.26732%0.322SS..Hα-helixtrans-66.1-40.9176.41710000111.1R131 N132 W133 R138 N139 L156R131-V135 VanDerWaalsContact O-CG2 3.29Å; R131-V135 WeakPolarHBondContact O-CG2 2.89Å; R131-V135 PolarHBondContact O-N 3.28Å; N132-V135 PolarHBondContact O-N 2.75Å; W133-V135 VanDerWaalsContact C-N 3.33Å; W133-V135 PolarHBondContact O-N 3.16Å; V135-R138 WeakPolarHBondContact O-CB 3.36Å; V135-R138 PolarHBondContact O-N 2.9Å; V135-N139 WeakPolarHBondContact CG1-ND2 3.49Å; V135-N139 WeakPolarHBondContact O-CB 3.23Å; V135-N139 PolarHBondContact O-N 3.34Å; V135-N139 PolarHBondContact O-ND2 2.85Å; V135-N139 VanDerWaalsContact O-ND2 3.1Å; V135-L156 HydrophobicContact CG2-CD1 4.29Å; V135-L156 HydrophobicContact CG2-CD2 4.24Å
136E81.8Confident69.3Low115 Ų11570.5 Ų70.554%0.53735%0.349SS..Hα-helixtrans-64.2-44174.7-175.6172.8-17000111.3N132 W133 R138 N139 S140N132-E136 WeakPolarHBondContact O-CB 3.19Å; N132-E136 PolarHBondContact O-N 3.49Å; W133-E136 PolarHBondContact O-N 3.42Å; E136-R138 VanDerWaalsContact C-N 3.31Å; E136-R138 PolarHBondContact O-N 3.46Å; E136-N139 CarbonylContact O-C 3.45Å; E136-N139 PolarHBondContact O-N 2.9Å; E136-N139 VanDerWaalsContact O-N 3.08Å; E136-S140 WeakPolarHBondContact O-CB 3.44Å; E136-S140 PolarHBondContact O-N 3.42Å
137L78.7Confident69.5Low27 Ų2773.3 Ų73.314%0.14137%0.37CS..Hα-helixtrans-58.5-44175.1-174.365.3000111.1W133 L134 N139 S140 I144 I152 L184W133-L137 HydrophobicContact CH2-CD2 4.08Å; W133-L137 HydrophobicContact CZ2-CD2 4.2Å; W133-L137 VanDerWaalsContact O-CB 3.31Å; W133-L137 WeakPolarHBondContact O-CB 3.41Å; W133-L137 PolarHBondContact O-N 3.18Å; L134-L137 PolarHBondContact O-N 2.88Å; L137-N139 VanDerWaalsContact C-N 3.33Å; L137-N139 PolarHBondContact O-N 3.43Å; L137-S140 PolarHBondContact O-N 2.92Å; L137-S140 PolarHBondContact O-OG 3.32Å; L137-I144 HydrophobicContact CD1-CD1 4.43Å; L137-I152 HydrophobicContact CD2-CD1 4.08Å; L137-I152 HydrophobicContact CD2-CG1 4.42Å; L137-I152 HydrophobicContact CG-CD1 4.03Å; L137-L184 HydrophobicContact CD2-CD1 3.82Å
138R79Confident70.5Confident113 Ų11377.3 Ų77.343%0.42638%0.383SS..Hα-helixtrans-61-39.5174179.5-179.6174.3179.2-1.9112.8L134 V135 E136 I152 D153L134-R138 WeakPolarHBondContact O-CB 3.43Å; L134-R138 PolarHBondContact O-N 2.83Å; V135-R138 WeakPolarHBondContact O-CB 3.36Å; V135-R138 PolarHBondContact O-N 2.9Å; E136-R138 VanDerWaalsContact C-N 3.31Å; E136-R138 PolarHBondContact O-N 3.46Å; R138-I152 HydrophobicContact CB-CD1 4.33Å; R138-I152 HydrophobicContact CB-CG2 4.08Å; R138-D153 IonicContact CZ-OD1 3.28Å; R138-D153 VanDerWaalsContact CZ-OD1 3.28Å; R138-D153 IonicContact NE-OD1 3.67Å; R138-D153 IonicContact NH1-OD1 2.82Å; R138-D153 PolarHBondContact NH1-OD1 3.17Å; R138-D153 IonicContact NH2-OD1 3.98Å
139N78.4Confident71.6Confident100 Ų10070.9 Ų70.954%0.53537%0.366SS..Hα-helixtrans-83-21.3-176.6-69.7-28.7000113.1V135 E136 L137V135-N139 WeakPolarHBondContact CG1-ND2 3.49Å; V135-N139 WeakPolarHBondContact O-CB 3.23Å; V135-N139 PolarHBondContact O-N 3.34Å; V135-N139 PolarHBondContact O-ND2 2.85Å; V135-N139 VanDerWaalsContact O-ND2 3.1Å; E136-N139 CarbonylContact O-C 3.45Å; E136-N139 PolarHBondContact O-N 2.9Å; E136-N139 VanDerWaalsContact O-N 3.08Å; L137-N139 VanDerWaalsContact C-N 3.33Å; L137-N139 PolarHBondContact O-N 3.43Å
140S73.9Confident72.5Confident42 Ų4272.9 Ų72.929%0.29438%0.384SS..SBendtrans-60138.8176.477.30000111E136 L137 S142E136-S140 WeakPolarHBondContact O-CB 3.44Å; E136-S140 PolarHBondContact O-N 3.42Å; L137-S140 PolarHBondContact O-N 2.92Å; L137-S140 PolarHBondContact O-OG 3.32Å; S140-S142 PolarHBondContact O-N 2.89Å; S140-S142 PolarHBondContact OG-OG 3.47Å; S140-S142 VanDerWaalsContact OG-OG 3.09Å
141H55.4Low73Confident177 Ų17773.3 Ų73.382%0.81939%0.386SS*.  trans-78.227.1-179.9-73-90.8000113.3
142S61Low73.2Confident24 Ų2468.4 Ų68.417%0.16837%0.368CS..SBendtrans-75.7156.7-179.562.60000111.6S140 I144 K145S140-S142 PolarHBondContact O-N 2.89Å; S140-S142 PolarHBondContact OG-OG 3.47Å; S140-S142 VanDerWaalsContact OG-OG 3.09Å; S142-I144 PolarHBondContact O-N 3.3Å; S142-I144 WeakPolarHBondContact OG-CB 3.35Å; S142-K145 VanDerWaalsContact O-CB 3.3Å; S142-K145 WeakPolarHBondContact O-CB 3.43Å; S142-K145 PolarHBondContact O-N 2.88Å
143L49.8Very low73.6Confident165 Ų16566.7 Ų66.786%0.86436%0.359SS*.THydrogen-bonded Turntrans-56.9-8.7175.2-70.4171000113.8K145L143-K145 VanDerWaalsContact C-N 3.28Å
144I56.4Low74.2Confident13 Ų1372.1 Ų72.17%0.06738%0.379CS..THydrogen-bonded Turntrans-70.9-24.4174.4-56.8171.6000111L137 S142 S146 R148 V187 Y191L137-I144 HydrophobicContact CD1-CD1 4.43Å; S142-I144 PolarHBondContact O-N 3.3Å; S142-I144 WeakPolarHBondContact OG-CB 3.35Å; I144-S146 PolarHBondContact O-N 3.47Å; I144-R148 HydrophobicContact CG2-CB 4.2Å; I144-R148 WeakPolarHBondContact O-CB 3.42Å; I144-R148 PolarHBondContact O-N 3Å; I144-V187 HydrophobicContact CD1-CG1 4.36Å; I144-V187 HydrophobicContact CG2-CG1 4.42Å; I144-Y191 HydrophobicContact CD1-CD2 4.11Å; I144-Y191 HydrophobicContact CD1-CG 4.24Å
145K56.3Low74.6Confident102 Ų10272.1 Ų72.144%0.44338%0.379SS..THydrogen-bonded Turntrans-63.4-38.6-170.8-174.4176.3-178.7174.10115.3S142 L143S142-K145 VanDerWaalsContact O-CB 3.3Å; S142-K145 WeakPolarHBondContact O-CB 3.43Å; S142-K145 PolarHBondContact O-N 2.88Å; L143-K145 VanDerWaalsContact C-N 3.28Å
146S55.3Low74.8Confident107 Ų10770.8 Ų70.875%0.74837%0.371SS*.THydrogen-bonded Turntrans-87.8-32.5-169.552.90000114.1I144I144-S146 PolarHBondContact O-N 3.47Å
147S61.5Low75.3Confident90 Ų9071.9 Ų71.963%0.62938%0.376SS*.THydrogen-bonded Turntrans-97.8-18.1-177.553.90000113.7
148R74.4Confident76Confident90 Ų9071.2 Ų71.234%0.3438%0.375SS..SBendtrans-129.213.4-167.3-58.5178.8176.3152.7-2.2115I144 A150 L151 I152I144-R148 HydrophobicContact CG2-CB 4.2Å; I144-R148 WeakPolarHBondContact O-CB 3.42Å; I144-R148 PolarHBondContact O-N 3Å; R148-A150 VanDerWaalsContact C-N 3.28Å; R148-A150 PolarHBondContact O-N 3.39Å; R148-L151 HydrophobicContact CB-CB 4.43Å; R148-L151 WeakPolarHBondContact O-CB 3.34Å; R148-L151 PolarHBondContact O-N 3.01Å; R148-I152 PolarHBondContact O-N 2.82Å
149S82.1Confident76.5Confident48 Ų4866 Ų6634%0.33636%0.356SS..Hα-helixtrans-57.5-41.8171.454.50000112.1L151 I152 D153S149-L151 VanDerWaalsContact C-N 3.3Å; S149-L151 PolarHBondContact O-N 2.92Å; S149-I152 PolarHBondContact O-N 2.91Å; S149-D153 PolarHBondContact O-N 3.37Å
150A87.2Confident77.1Confident61 Ų6163.8 Ų63.850%0.50434%0.344SS..Hα-helixtrans-62.8-33.5177.600000113.2R148 R154R148-A150 VanDerWaalsContact C-N 3.28Å; R148-A150 PolarHBondContact O-N 3.39Å; A150-R154 WeakPolarHBondContact O-CB 3.28Å; A150-R154 PolarHBondContact O-N 3.39Å
151L89.2Confident77.9Confident8 Ų864 Ų644%0.04235%0.345CS..Hα-helixtrans-66.4-46.3175.2178.866.4000110.8R148 S149 R154 L155 A180 E183 L184R148-L151 HydrophobicContact CB-CB 4.43Å; R148-L151 WeakPolarHBondContact O-CB 3.34Å; R148-L151 PolarHBondContact O-N 3.01Å; S149-L151 VanDerWaalsContact C-N 3.3Å; S149-L151 PolarHBondContact O-N 2.92Å; L151-R154 PolarHBondContact O-N 3.15Å; L151-L155 HydrophobicContact CG-CD1 4.46Å; L151-L155 PolarHBondContact O-N 2.79Å; L151-A180 HydrophobicContact CD1-CB 3.77Å; L151-E183 HydrophobicContact CD1-CB 4.24Å; L151-E183 HydrophobicContact CD1-CG 4.3Å; L151-E183 WeakPolarHBondContact CD1-OE2 3.02Å; L151-E183 HydrophobicContact CD2-CB 4.25Å; L151-E183 HydrophobicContact CD2-CG 3.83Å; L151-L184 HydrophobicContact CD2-CB 4.4Å
152I88.4Confident79.6Confident3 Ų355.8 Ų55.82%0.01531%0.308CS..Hα-helixtrans-65.1-41.7178.8-62.3167.2000110.6L134 L137 R138 R148 S149 L155 L156L134-I152 HydrophobicContact CB-CG2 4.21Å; L134-I152 HydrophobicContact CD2-CG2 4.41Å; L134-I152 WeakPolarHBondContact O-CG2 3.5Å; L137-I152 HydrophobicContact CD2-CD1 4.08Å; L137-I152 HydrophobicContact CD2-CG1 4.42Å; L137-I152 HydrophobicContact CG-CD1 4.03Å; R138-I152 HydrophobicContact CB-CD1 4.33Å; R138-I152 HydrophobicContact CB-CG2 4.08Å; R148-I152 PolarHBondContact O-N 2.82Å; S149-I152 PolarHBondContact O-N 2.91Å; I152-L155 PolarHBondContact O-N 2.91Å; I152-L156 HydrophobicContact CG2-CD1 4.07Å; I152-L156 HydrophobicContact CG2-CG 4.4Å; I152-L156 WeakPolarHBondContact O-CB 3.35Å; I152-L156 WeakPolarHBondContact O-CG 3.2Å; I152-L156 PolarHBondContact O-N 2.91Å
153D89.9Confident80.9Confident56 Ų5658.4 Ų58.430%0.29931%0.314SS..Hα-helixtrans-64.5-41.3177.7-71.3-29.1000111.5R138 S149 L155 L156 E157R138-D153 IonicContact CZ-OD1 3.28Å; R138-D153 VanDerWaalsContact CZ-OD1 3.28Å; R138-D153 IonicContact NE-OD1 3.67Å; R138-D153 IonicContact NH1-OD1 2.82Å; R138-D153 PolarHBondContact NH1-OD1 3.17Å; R138-D153 IonicContact NH2-OD1 3.98Å; S149-D153 PolarHBondContact O-N 3.37Å; D153-L155 PolarHBondContact O-N 3.11Å; D153-L156 PolarHBondContact O-N 3.48Å; D153-E157 WeakPolarHBondContact O-CB 3.46Å; D153-E157 PolarHBondContact O-N 3.07Å
154R91.6Very high82.7Confident129 Ų12956.9 Ų56.949%0.48730%0.303SS..Hα-helixtrans-61.9-41.1173.7-170.9-174.6-61.11471.8112.2A150 L151 E157 G158A150-R154 WeakPolarHBondContact O-CB 3.28Å; A150-R154 PolarHBondContact O-N 3.39Å; L151-R154 PolarHBondContact O-N 3.15Å; R154-E157 PolarHBondContact O-N 2.97Å; R154-G158 PolarHBondContact O-N 3.22Å
155L91Very high84.1Confident0 Ų057.3 Ų57.30%031%0.31CS..Hα-helixtrans-67.1-40.5176.5-82170.6000112.6L134 L151 I152 D153 Y159 Y177 A180 L181 L184L134-L155 HydrophobicContact CD1-CB 4.13Å; L151-L155 HydrophobicContact CG-CD1 4.46Å; L151-L155 PolarHBondContact O-N 2.79Å; I152-L155 PolarHBondContact O-N 2.91Å; D153-L155 PolarHBondContact O-N 3.11Å; L155-Y159 WeakPolarHBondContact O-CB 3.22Å; L155-Y159 PolarHBondContact O-N 3.3Å; L155-Y177 HydrophobicContact CD2-CD2 3.98Å; L155-Y177 HydrophobicContact CD2-CE2 3.72Å; L155-A180 HydrophobicContact CD2-CB 3.79Å; L155-A180 HydrophobicContact CG-CB 3.86Å; L155-L181 HydrophobicContact CD2-CB 4.19Å; L155-L181 HydrophobicContact CD2-CD1 4.2Å; L155-L184 HydrophobicContact CD1-CB 3.79Å; L155-L184 HydrophobicContact CD1-CD2 3.46Å; L155-L184 VanDerWaalsContact CD1-CD2 3.46Å; L155-L184 HydrophobicContact CD1-CG 4.21Å
156L90.3Very high85.5Confident17 Ų1759.7 Ų59.79%0.08933%0.334CS..Hα-helixtrans-61.8-46.1174.4-77.2170.4000111R131 L134 V135 I152 D153 Y159 D160R131-L156 HydrophobicContact CG-CD2 3.83Å; L134-L156 HydrophobicContact CB-CD2 3.7Å; L134-L156 HydrophobicContact CB-CG 4.09Å; L134-L156 HydrophobicContact CD1-CD2 3.79Å; L134-L156 HydrophobicContact CD1-CG 4.03Å; L134-L156 HydrophobicContact CG-CD2 4.43Å; V135-L156 HydrophobicContact CG2-CD1 4.29Å; V135-L156 HydrophobicContact CG2-CD2 4.24Å; I152-L156 HydrophobicContact CG2-CD1 4.07Å; I152-L156 HydrophobicContact CG2-CG 4.4Å; I152-L156 WeakPolarHBondContact O-CB 3.35Å; I152-L156 WeakPolarHBondContact O-CG 3.2Å; I152-L156 PolarHBondContact O-N 2.91Å; D153-L156 PolarHBondContact O-N 3.48Å; L156-Y159 PolarHBondContact O-N 3.42Å; L156-D160 WeakPolarHBondContact O-CB 3.44Å; L156-D160 PolarHBondContact O-N 3.25Å
157E91.9Very high86.9Confident138 Ų13856.9 Ų56.965%0.64532%0.322SS*.Hα-helixtrans-64.7-45.5178.2-176.6173-165.400112.2D153 R154 Y159 D160 S161D153-E157 WeakPolarHBondContact O-CB 3.46Å; D153-E157 PolarHBondContact O-N 3.07Å; R154-E157 PolarHBondContact O-N 2.97Å; E157-Y159 VanDerWaalsContact C-N 3.32Å; E157-Y159 PolarHBondContact O-N 3.12Å; E157-D160 PolarHBondContact O-N 3.18Å; E157-S161 WeakPolarHBondContact O-CB 3.32Å; E157-S161 PolarHBondContact O-N 3.42Å; E157-S161 PolarHBondContact O-OG 3Å
158G92Very high88Confident13 Ų1356 Ų5613%0.13432%0.32CS..Hα-helixtrans-63.5-38.7176.800000112.4R154 A162R154-G158 PolarHBondContact O-N 3.22Å; G158-A162 WeakPolarHBondContact O-CB 3.35Å; G158-A162 PolarHBondContact O-N 3.37Å
159Y90.5Very high88.7Confident2 Ų252 Ų521%0.00831%0.305CS..Hα-helixtrans-67.3-47.6176.2-179.6-101000112.7L105 I108 G127 F130 R131 L155 L156 E157 S161 A162 R163L105-Y159 HydrophobicContact CD2-CD2 4.17Å; L105-Y159 HydrophobicContact CD2-CE2 3.65Å; I108-Y159 HydrophobicContact CD1-CD2 3.55Å; I108-Y159 HydrophobicContact CD1-CE2 3.46Å; I108-Y159 VanDerWaalsContact CD1-CE2 3.46Å; G127-Y159 VanDerWaalsContact C-OH 3.24Å; G127-Y159 WeakPolarHBondContact CA-OH 3.44Å; G127-Y159 PolarHBondContact O-OH 3.23Å; F130-Y159 HydrophobicContact CD1-CD1 4.5Å; F130-Y159 AromaticContact CD1-CD2 3.77Å; F130-Y159 HydrophobicContact CD1-CD2 3.77Å; F130-Y159 AromaticContact CD1-CE2 3.9Å; F130-Y159 HydrophobicContact CD1-CE2 3.9Å; F130-Y159 HydrophobicContact CD1-CG 4.07Å; F130-Y159 HydrophobicContact CE1-CD2 4.04Å; F130-Y159 HydrophobicContact CE1-CG 4.27Å; R131-Y159 HydrophobicContact CB-CD1 4.45Å; R131-Y159 HydrophobicContact CB-CE1 4.15Å; L155-Y159 WeakPolarHBondContact O-CB 3.22Å; L155-Y159 PolarHBondContact O-N 3.3Å; L156-Y159 PolarHBondContact O-N 3.42Å; E157-Y159 VanDerWaalsContact C-N 3.32Å; E157-Y159 PolarHBondContact O-N 3.12Å; Y159-S161 VanDerWaalsContact C-N 3.3Å; Y159-S161 PolarHBondContact O-N 3.47Å; Y159-A162 PolarHBondContact O-N 3.43Å; Y159-R163 WeakPolarHBondContact O-CB 3.37Å; Y159-R163 PolarHBondContact O-N 2.84Å; Y159-R163 WeakPolarHBondContact OH-CD 3.26Å; Y159-R163 PolarHBondContact OH-NH1 3.37Å
160D90.3Very high89Confident54 Ų5450.1 Ų50.129%0.28929%0.293SS..Hα-helixtrans-64.4-37.7176.9-81-12.5000110.5R131 L156 E157 H164 G165R131-D160 IonicContact NE-OD1 3.11Å; R131-D160 IonicContact NE-OD2 3.45Å; L156-D160 WeakPolarHBondContact O-CB 3.44Å; L156-D160 PolarHBondContact O-N 3.25Å; E157-D160 PolarHBondContact O-N 3.18Å; D160-H164 CarbonylContact O-C 3.55Å; D160-H164 WeakPolarHBondContact O-CA 3.26Å; D160-H164 WeakPolarHBondContact O-CB 3.23Å; D160-H164 PolarHBondContact O-N 3.18Å; D160-G165 PolarHBondContact O-N 2.85Å
161S91.3Very high89.1Confident47 Ų4751 Ų5133%0.32929%0.287SS..Hα-helixtrans-63.9-42174.7-63.60000112.6E157 Y159 G165E157-S161 WeakPolarHBondContact O-CB 3.32Å; E157-S161 PolarHBondContact O-N 3.42Å; E157-S161 PolarHBondContact O-OG 3Å; Y159-S161 VanDerWaalsContact C-N 3.3Å; Y159-S161 PolarHBondContact O-N 3.47Å; S161-G165 VanDerWaalsContact O-CA 3.26Å; S161-G165 WeakPolarHBondContact O-CA 3.1Å; S161-G165 PolarHBondContact O-N 2.89Å; S161-G165 VanDerWaalsContact O-N 3.15Å
162A90.8Very high89.1Confident5 Ų553.5 Ų53.54%0.04131%0.308CS..Hα-helixtrans-68.9-42178.400000112.6R101 A104 G158 Y159 F169R101-A162 WeakPolarHBondContact CD-O 3.34Å; A104-A162 HydrophobicContact CB-CB 3.9Å; G158-A162 WeakPolarHBondContact O-CB 3.35Å; G158-A162 PolarHBondContact O-N 3.37Å; Y159-A162 PolarHBondContact O-N 3.43Å; A162-F169 HydrophobicContact CB-CD2 4.37Å; A162-F169 HydrophobicContact CB-CE1 4.3Å; A162-F169 HydrophobicContact CB-CE2 4.03Å; A162-F169 HydrophobicContact CB-CZ 4Å
163R88.1Confident89.2Confident78 Ų7857 Ų5729%0.29432%0.324SS..Hα-helixtrans-88.5-38.3-172.6-160.5174.7-173.9110.54.6114E74 L105 G127 Y159E74-R163 IonicContact OE1-CZ 3.31Å; E74-R163 IonicContact OE1-NH1 2.82Å; E74-R163 PolarHBondContact OE1-NH1 2.98Å; E74-R163 IonicContact OE1-NH2 3.59Å; E74-R163 PolarHBondContact OE1-NH2 3.33Å; E74-R163 IonicContact OE2-CZ 3.28Å; E74-R163 IonicContact OE2-NH1 3.41Å; E74-R163 PolarHBondContact OE2-NH1 3.45Å; E74-R163 VanDerWaalsContact OE2-NH1 3.11Å; E74-R163 IonicContact OE2-NH2 3.1Å; E74-R163 PolarHBondContact OE2-NH2 3.08Å; L105-R163 HydrophobicContact CD2-CB 4.23Å; L105-R163 HydrophobicContact CD2-CG 4.36Å; G127-R163 VanDerWaalsContact CA-CZ 3.45Å; Y159-R163 WeakPolarHBondContact O-CB 3.37Å; Y159-R163 PolarHBondContact O-N 2.84Å; Y159-R163 WeakPolarHBondContact OH-CD 3.26Å; Y159-R163 PolarHBondContact OH-NH1 3.37Å
164H88.3Confident89.3Confident133 Ų13355.1 Ų55.162%0.61631%0.314SS*.THydrogen-bonded Turntrans-126-11.2-169.8-58.4-50.5000113.4D160D160-H164 CarbonylContact O-C 3.55Å; D160-H164 WeakPolarHBondContact O-CA 3.26Å; D160-H164 WeakPolarHBondContact O-CB 3.23Å; D160-H164 PolarHBondContact O-N 3.18Å
165G86.4Confident89.3Confident22 Ų2253.5 Ų53.523%0.22731%0.314CS..  trans-64.2142.3-17800000113.5R101 D160 S161R101-G165 VanDerWaalsContact CZ-O 3.23Å; R101-G165 PolarHBondContact NH1-O 2.96Å; R101-G165 PolarHBondContact NH2-O 2.99Å; D160-G165 PolarHBondContact O-N 2.85Å; S161-G165 VanDerWaalsContact O-CA 3.26Å; S161-G165 WeakPolarHBondContact O-CA 3.1Å; S161-G165 PolarHBondContact O-N 2.89Å; S161-G165 VanDerWaalsContact O-N 3.15Å
166T85Confident89.4Confident153 Ų15359.2 Ų59.294%0.93934%0.341SS*.  trans-93.6-14.5173.4530000112.8
167G84.8Confident89.5Confident48 Ų4858.7 Ų58.750%0.49534%0.338SS..SBendtrans-78.7174.3-179.100000114.8R101 F169R101-G167 PolarHBondContact NH2-O 2.8Å; G167-F169 PolarHBondContact O-N 2.81Å
168A84.8Confident89.5Confident72 Ų7258.2 Ų58.260%0.59533%0.33SS*.  trans-63.8136.7170.100000109.7
169F89.4Confident89.6Confident5 Ų564.2 Ų64.22%0.02236%0.355CS..  trans-133.495.4171.6-174.1-81.9000105.5N97 R101 A104 A162 G167 E173 F174N97-F169 CarbonylContact C-O 3.46Å; N97-F169 WeakPolarHBondContact CA-O 3.36Å; N97-F169 WeakPolarHBondContact CB-O 3.15Å; R101-F169 HydrophobicContact CB-CD1 4.45Å; R101-F169 HydrophobicContact CG-CB 3.74Å; R101-F169 HydrophobicContact CG-CD1 3.72Å; R101-F169 HydrophobicContact CG-CG 3.9Å; A104-F169 HydrophobicContact CB-CE1 3.93Å; A104-F169 HydrophobicContact CB-CZ 3.97Å; A162-F169 HydrophobicContact CB-CD2 4.37Å; A162-F169 HydrophobicContact CB-CE1 4.3Å; A162-F169 HydrophobicContact CB-CE2 4.03Å; A162-F169 HydrophobicContact CB-CZ 4Å; G167-F169 PolarHBondContact O-N 2.81Å; F169-E173 HydrophobicContact CD2-CB 3.88Å; F169-E173 HydrophobicContact CE2-CB 3.87Å; F169-E173 HydrophobicContact CG-CB 4.3Å; F169-E173 HydrophobicContact CZ-CB 4.26Å; F169-F174 HydrophobicContact CE1-CB 3.96Å; F169-F174 HydrophobicContact CZ-CB 4.47Å
170G88.3Confident89.6Confident8 Ų864.1 Ų64.18%0.08236%0.355CS..  trans-105-154.5-17300000112.1Y100 E173 F174Y100-G170 WeakPolarHBondContact CB-O 3.33Å; G170-E173 VanDerWaalsContact C-OE2 3.27Å; G170-E173 WeakPolarHBondContact CA-OE2 3.41Å; G170-E173 PolarHBondContact N-OE2 2.85Å; G170-F174 WeakPolarHBondContact O-CB 3.26Å; G170-F174 PolarHBondContact O-N 2.95Å
171E87.9Confident89.7Confident81 Ų8161.7 Ų61.738%0.37934%0.342SS..Hα-helixtrans-68.4-41.9-177.7-171.8171.5-165.500112.7Q93 Y100 F174 L175Q93-E171 PolarHBondContact NE2-OE2 3.29Å; Y100-E171 HydrophobicContact CD1-CB 4.41Å; Y100-E171 HydrophobicContact CE1-CB 3.77Å; Y100-E171 HydrophobicContact CE1-CG 3.9Å; Y100-E171 HydrophobicContact CE2-CB 4.02Å; E171-F174 PolarHBondContact O-N 3.45Å; E171-L175 HydrophobicContact CG-CD1 4.12Å; E171-L175 HydrophobicContact CG-CG 4.48Å; E171-L175 WeakPolarHBondContact O-CB 3.48Å; E171-L175 VanDerWaalsContact O-CG 3.3Å; E171-L175 WeakPolarHBondContact O-CG 3.41Å; E171-L175 PolarHBondContact O-N 3.36Å
172A89.4Confident89.6Confident59 Ų5963 Ų6349%0.48835%0.345SS..Hα-helixtrans-63.6-49.3-177.700000111F174 L175 E176A172-F174 VanDerWaalsContact C-N 3.28Å; A172-F174 PolarHBondContact O-N 2.9Å; A172-L175 PolarHBondContact O-N 3.27Å; A172-E176 WeakPolarHBondContact O-CG 3.3Å; A172-E176 PolarHBondContact O-N 2.93Å
173E91.4Very high89.6Confident76 Ų7666.7 Ų66.736%0.35536%0.361SS..Hα-helixtrans-63.2-37.4178.3-5886.4164.800111.1F169 G170 Y177F169-E173 HydrophobicContact CD2-CB 3.88Å; F169-E173 HydrophobicContact CE2-CB 3.87Å; F169-E173 HydrophobicContact CG-CB 4.3Å; F169-E173 HydrophobicContact CZ-CB 4.26Å; G170-E173 VanDerWaalsContact C-OE2 3.27Å; G170-E173 WeakPolarHBondContact CA-OE2 3.41Å; G170-E173 PolarHBondContact N-OE2 2.85Å; E173-Y177 VanDerWaalsContact O-CB 3.23Å; E173-Y177 WeakPolarHBondContact O-CB 3.26Å; E173-Y177 PolarHBondContact O-N 3.46Å
174F91.1Very high89.6Confident18 Ų1863 Ų638%0.07935%0.348CS..Hα-helixtrans-65.7-42.4174.6172.8-106.3000112.7Y100 K103 A104 F169 G170 E171 A172 Y177 R178Y100-F174 HydrophobicContact CD1-CB 3.93Å; Y100-F174 HydrophobicContact CD1-CD1 4.05Å; Y100-F174 HydrophobicContact CD1-CG 4.06Å; Y100-F174 HydrophobicContact CG-CB 4.37Å; K103-F174 HydrophobicContact CB-CD2 4.06Å; K103-F174 HydrophobicContact CB-CE1 4.49Å; K103-F174 HydrophobicContact CB-CE2 3.55Å; K103-F174 HydrophobicContact CB-CZ 3.79Å; K103-F174 HydrophobicContact CD-CE1 4.35Å; K103-F174 HydrophobicContact CD-CZ 4.36Å; A104-F174 HydrophobicContact CB-CD2 4.03Å; A104-F174 HydrophobicContact CB-CE2 4.41Å; F169-F174 HydrophobicContact CE1-CB 3.96Å; F169-F174 HydrophobicContact CZ-CB 4.47Å; G170-F174 WeakPolarHBondContact O-CB 3.26Å; G170-F174 PolarHBondContact O-N 2.95Å; E171-F174 PolarHBondContact O-N 3.45Å; A172-F174 VanDerWaalsContact C-N 3.28Å; A172-F174 PolarHBondContact O-N 2.9Å; F174-Y177 PolarHBondContact O-N 2.76Å; F174-R178 VanDerWaalsContact O-CB 3.27Å; F174-R178 WeakPolarHBondContact O-CB 3.45Å; F174-R178 PolarHBondContact O-N 3.04Å
175L91.9Very high89.5Confident94 Ų9457.2 Ų57.249%0.49232%0.321SS..Hα-helixtrans-65.6-43.5178.6-73.6172.5000111.5E171 A172 R178 Q179E171-L175 HydrophobicContact CG-CD1 4.12Å; E171-L175 HydrophobicContact CG-CG 4.48Å; E171-L175 WeakPolarHBondContact O-CB 3.48Å; E171-L175 VanDerWaalsContact O-CG 3.3Å; E171-L175 WeakPolarHBondContact O-CG 3.41Å; E171-L175 PolarHBondContact O-N 3.36Å; A172-L175 PolarHBondContact O-N 3.27Å; L175-R178 PolarHBondContact O-N 2.87Å; L175-Q179 WeakPolarHBondContact O-CB 3.29Å; L175-Q179 PolarHBondContact O-N 3.44Å
176E93.1Very high89.5Confident121 Ų12161 Ų6157%0.56534%0.337SS*.Hα-helixtrans-61.2-45.3174.5-71.8-176.1-177.600111.8A172 R178 Q179 A180A172-E176 WeakPolarHBondContact O-CG 3.3Å; A172-E176 PolarHBondContact O-N 2.93Å; E176-R178 PolarHBondContact O-N 3.46Å; E176-Q179 PolarHBondContact O-N 2.86Å; E176-A180 WeakPolarHBondContact O-CB 3.27Å; E176-A180 PolarHBondContact O-N 3.13Å
177Y92.7Very high89.4Confident6 Ų654.1 Ų54.12%0.02429%0.294CS..Hα-helixtrans-60.3-45.9176.3176.3-102.5000111.7A104 I108 L155 E173 F174 A180 L181A104-Y177 HydrophobicContact CB-CD1 3.88Å; A104-Y177 HydrophobicContact CB-CE1 3.93Å; A104-Y177 WeakPolarHBondContact O-CE1 3.34Å; I108-Y177 VanDerWaalsContact CD1-OH 3.24Å; I108-Y177 WeakPolarHBondContact CD1-OH 3.43Å; I108-Y177 HydrophobicContact CG1-CE1 4.48Å; I108-Y177 WeakPolarHBondContact CG1-OH 3.47Å; L155-Y177 HydrophobicContact CD2-CD2 3.98Å; L155-Y177 HydrophobicContact CD2-CE2 3.72Å; E173-Y177 VanDerWaalsContact O-CB 3.23Å; E173-Y177 WeakPolarHBondContact O-CB 3.26Å; E173-Y177 PolarHBondContact O-N 3.46Å; F174-Y177 PolarHBondContact O-N 2.76Å; Y177-A180 PolarHBondContact O-N 3.28Å; Y177-L181 WeakPolarHBondContact O-CB 3.28Å; Y177-L181 PolarHBondContact O-N 3.32Å
178R92.4Very high89.1Confident127 Ų12753 Ų5348%0.47928%0.278SS..Hα-helixtrans-63.7-43.6179.2-177.8177.3179.2172.13.7111.7F174 L175 E176 A180 L181 D182F174-R178 VanDerWaalsContact O-CB 3.27Å; F174-R178 WeakPolarHBondContact O-CB 3.45Å; F174-R178 PolarHBondContact O-N 3.04Å; L175-R178 PolarHBondContact O-N 2.87Å; E176-R178 PolarHBondContact O-N 3.46Å; R178-A180 VanDerWaalsContact C-N 3.33Å; R178-A180 PolarHBondContact O-N 2.98Å; R178-L181 WeakPolarHBondContact O-CB 3.46Å; R178-L181 PolarHBondContact O-N 2.94Å; R178-L181 VanDerWaalsContact O-N 3.13Å; R178-D182 PolarHBondContact O-N 3.15Å
179Q93.1Very high89Confident139 Ų13955.4 Ų55.465%0.6528%0.275SS*.Hα-helixtrans-60.9-44.3176.9-176.2-179.410.300111.3L175 E176 L181 D182 E183L175-Q179 WeakPolarHBondContact O-CB 3.29Å; L175-Q179 PolarHBondContact O-N 3.44Å; E176-Q179 PolarHBondContact O-N 2.86Å; Q179-L181 VanDerWaalsContact C-N 3.26Å; Q179-L181 PolarHBondContact O-N 3.11Å; Q179-D182 PolarHBondContact O-N 2.65Å; Q179-E183 WeakPolarHBondContact O-CB 3.43Å; Q179-E183 PolarHBondContact O-N 2.78Å
180A91.8Very high88.6Confident1 Ų157.9 Ų57.91%0.00830%0.296CS..Hα-helixtrans-63.5-34.3176.200000112L151 L155 E176 Y177 R178 L184L151-A180 HydrophobicContact CD1-CB 3.77Å; L155-A180 HydrophobicContact CD2-CB 3.79Å; L155-A180 HydrophobicContact CG-CB 3.86Å; E176-A180 WeakPolarHBondContact O-CB 3.27Å; E176-A180 PolarHBondContact O-N 3.13Å; Y177-A180 PolarHBondContact O-N 3.28Å; R178-A180 VanDerWaalsContact C-N 3.33Å; R178-A180 PolarHBondContact O-N 2.98Å; A180-L184 PolarHBondContact O-N 2.92Å
181L90.9Very high88Confident3 Ų363 Ų632%0.01631%0.314CS..Hα-helixtrans-67.5-47.1177.4-166.787.4000111A107 I108 F130 L155 Y177 R178 Q179 E183 L184 V185A107-L181 HydrophobicContact CB-CD2 4.22Å; I108-L181 HydrophobicContact CG1-CD1 4.27Å; F130-L181 HydrophobicContact CZ-CD1 4.1Å; L155-L181 HydrophobicContact CD2-CB 4.19Å; L155-L181 HydrophobicContact CD2-CD1 4.2Å; Y177-L181 WeakPolarHBondContact O-CB 3.28Å; Y177-L181 PolarHBondContact O-N 3.32Å; R178-L181 WeakPolarHBondContact O-CB 3.46Å; R178-L181 PolarHBondContact O-N 2.94Å; R178-L181 VanDerWaalsContact O-N 3.13Å; Q179-L181 VanDerWaalsContact C-N 3.26Å; Q179-L181 PolarHBondContact O-N 3.11Å; L181-E183 VanDerWaalsContact C-N 3.33Å; L181-E183 PolarHBondContact O-N 2.82Å; L181-L184 WeakPolarHBondContact O-CB 3.38Å; L181-L184 PolarHBondContact O-N 2.85Å; L181-L184 VanDerWaalsContact O-N 3.15Å; L181-V185 WeakPolarHBondContact O-CG2 3.38Å; L181-V185 PolarHBondContact O-N 3.16Å
182D90.4Very high87.3Confident74 Ų7462.3 Ų62.340%0.39632%0.318SS..Hα-helixtrans-62-42.1177.5-69.1-27000110.7R178 Q179 L184 V185 D186R178-D182 PolarHBondContact O-N 3.15Å; Q179-D182 PolarHBondContact O-N 2.65Å; D182-L184 VanDerWaalsContact C-N 3.33Å; D182-L184 PolarHBondContact O-N 3.49Å; D182-V185 WeakPolarHBondContact O-CB 3.35Å; D182-V185 PolarHBondContact O-N 2.95Å; D182-D186 PolarHBondContact O-N 3.3Å
183E90.7Very high86.4Confident82 Ų8262.8 Ų62.838%0.38332%0.318SS..Hα-helixtrans-58.5-44.4173.2-172.5-177.6162.300111.3L151 Q179 L181 V185 D186 V187L151-E183 HydrophobicContact CD1-CB 4.24Å; L151-E183 HydrophobicContact CD1-CG 4.3Å; L151-E183 WeakPolarHBondContact CD1-OE2 3.02Å; L151-E183 HydrophobicContact CD2-CB 4.25Å; L151-E183 HydrophobicContact CD2-CG 3.83Å; Q179-E183 WeakPolarHBondContact O-CB 3.43Å; Q179-E183 PolarHBondContact O-N 2.78Å; L181-E183 VanDerWaalsContact C-N 3.33Å; L181-E183 PolarHBondContact O-N 2.82Å; E183-V185 PolarHBondContact O-N 3.19Å; E183-D186 PolarHBondContact O-N 2.9Å; E183-V187 VanDerWaalsContact O-CG2 3.26Å; E183-V187 WeakPolarHBondContact O-CG2 3.32Å; E183-V187 PolarHBondContact O-N 3.34Å
184L86.8Confident85.3Confident2 Ų261.6 Ų61.61%0.0132%0.317CS..Hα-helixtrans-64.2-40177.5-179.961.6000112.2I113 W133 L134 L137 L151 L155 A180 L181 D182 D186 V187 V188I113-L184 HydrophobicContact CD1-CD2 4.43Å; W133-L184 HydrophobicContact CH2-CD2 3.75Å; W133-L184 HydrophobicContact CH2-CG 4.24Å; W133-L184 HydrophobicContact CZ3-CD2 3.66Å; L134-L184 HydrophobicContact CD2-CD2 3.63Å; L137-L184 HydrophobicContact CD2-CD1 3.82Å; L151-L184 HydrophobicContact CD2-CB 4.4Å; L155-L184 HydrophobicContact CD1-CB 3.79Å; L155-L184 HydrophobicContact CD1-CD2 3.46Å; L155-L184 VanDerWaalsContact CD1-CD2 3.46Å; L155-L184 HydrophobicContact CD1-CG 4.21Å; A180-L184 PolarHBondContact O-N 2.92Å; L181-L184 WeakPolarHBondContact O-CB 3.38Å; L181-L184 PolarHBondContact O-N 2.85Å; L181-L184 VanDerWaalsContact O-N 3.15Å; D182-L184 VanDerWaalsContact C-N 3.33Å; D182-L184 PolarHBondContact O-N 3.49Å; L184-D186 VanDerWaalsContact C-N 3.33Å; L184-D186 PolarHBondContact O-N 3.04Å; L184-V187 WeakPolarHBondContact O-CB 3.16Å; L184-V187 PolarHBondContact O-N 3.03Å; L184-V188 HydrophobicContact CD1-CG2 4.24Å; L184-V188 HydrophobicContact CG-CG2 4.42Å; L184-V188 VanDerWaalsContact O-CG2 3.32Å; L184-V188 WeakPolarHBondContact O-CG2 3.32Å; L184-V188 PolarHBondContact O-N 3.26Å
185V86.4Confident84Confident11 Ų1163.4 Ų63.47%0.06733%0.33CS..Hα-helixtrans-58.8-46.5176.3170.30000110.6I113 L181 D182 E183 V187 V188 K189I113-V185 HydrophobicContact CD1-CG2 3.91Å; I113-V185 HydrophobicContact CG1-CG2 3.6Å; L181-V185 WeakPolarHBondContact O-CG2 3.38Å; L181-V185 PolarHBondContact O-N 3.16Å; D182-V185 WeakPolarHBondContact O-CB 3.35Å; D182-V185 PolarHBondContact O-N 2.95Å; E183-V185 PolarHBondContact O-N 3.19Å; V185-V187 VanDerWaalsContact C-N 3.29Å; V185-V187 PolarHBondContact O-N 3.45Å; V185-V188 PolarHBondContact O-N 3.4Å; V185-K189 HydrophobicContact CG1-CD 3.98Å; V185-K189 VanDerWaalsContact CG1-CE 3.43Å; V185-K189 HydrophobicContact CG1-CG 4.49Å; V185-K189 WeakPolarHBondContact O-CB 3.35Å; V185-K189 WeakPolarHBondContact O-CG 3.49Å; V185-K189 PolarHBondContact O-N 3.01Å
186D86.5Confident82.5Confident102 Ų10262 Ų6255%0.54533%0.328SS..Hα-helixtrans-63.4-37.8178.9-72.4-18.9000111.8D182 E183 L184 K189 A190D182-D186 PolarHBondContact O-N 3.3Å; E183-D186 PolarHBondContact O-N 2.9Å; L184-D186 VanDerWaalsContact C-N 3.33Å; L184-D186 PolarHBondContact O-N 3.04Å; D186-K189 PolarHBondContact O-N 3.13Å; D186-A190 VanDerWaalsContact O-CB 3.29Å; D186-A190 WeakPolarHBondContact O-CB 3.39Å; D186-A190 PolarHBondContact O-N 2.96Å
187V83.1Confident80.8Confident8 Ų860.4 Ų60.45%0.04832%0.323CS..Hα-helixtrans-63.6-46.2174.5167.50000112.1I144 E183 L184 V185 K189 A190 Y191I144-V187 HydrophobicContact CD1-CG1 4.36Å; I144-V187 HydrophobicContact CG2-CG1 4.42Å; E183-V187 VanDerWaalsContact O-CG2 3.26Å; E183-V187 WeakPolarHBondContact O-CG2 3.32Å; E183-V187 PolarHBondContact O-N 3.34Å; L184-V187 WeakPolarHBondContact O-CB 3.16Å; L184-V187 PolarHBondContact O-N 3.03Å; V185-V187 VanDerWaalsContact C-N 3.29Å; V185-V187 PolarHBondContact O-N 3.45Å; V187-K189 VanDerWaalsContact C-N 3.32Å; V187-K189 PolarHBondContact O-N 2.87Å; V187-A190 PolarHBondContact O-N 2.84Å; V187-Y191 WeakPolarHBondContact O-CB 3.33Å; V187-Y191 PolarHBondContact O-N 3.47Å
188V79.9Confident79Confident25 Ų2564.7 Ų64.715%0.15235%0.346CS..Hα-helixtrans-64.2-40.2179171.70000110.6W133 L184 V185 Y191 S192W133-V188 HydrophobicContact CH2-CG2 4.2Å; W133-V188 HydrophobicContact CZ2-CG2 4.23Å; L184-V188 HydrophobicContact CD1-CG2 4.24Å; L184-V188 HydrophobicContact CG-CG2 4.42Å; L184-V188 VanDerWaalsContact O-CG2 3.32Å; L184-V188 WeakPolarHBondContact O-CG2 3.32Å; L184-V188 PolarHBondContact O-N 3.26Å; V185-V188 PolarHBondContact O-N 3.4Å; V188-Y191 PolarHBondContact O-N 3Å; V188-S192 WeakPolarHBondContact O-CB 3.33Å; V188-S192 PolarHBondContact O-N 3.2Å; V188-S192 PolarHBondContact O-OG 3.18Å
189K82.1Confident77.3Confident122 Ų12265 Ų6553%0.5335%0.353SS..Hα-helixtrans-65.2-44.8175-73.3173.3-179168.90112.5V185 D186 V187 Y191 S192 S193V185-K189 HydrophobicContact CG1-CD 3.98Å; V185-K189 VanDerWaalsContact CG1-CE 3.43Å; V185-K189 HydrophobicContact CG1-CG 4.49Å; V185-K189 WeakPolarHBondContact O-CB 3.35Å; V185-K189 WeakPolarHBondContact O-CG 3.49Å; V185-K189 PolarHBondContact O-N 3.01Å; D186-K189 PolarHBondContact O-N 3.13Å; V187-K189 VanDerWaalsContact C-N 3.32Å; V187-K189 PolarHBondContact O-N 2.87Å; K189-Y191 VanDerWaalsContact C-N 3.33Å; K189-Y191 PolarHBondContact O-N 3.5Å; K189-S192 PolarHBondContact O-N 3.44Å; K189-S193 WeakPolarHBondContact O-CB 3.39Å; K189-S193 PolarHBondContact O-N 2.77Å; K189-S193 PolarHBondContact O-OG 3.33Å
190A81.3Confident75.7Confident57 Ų5764.5 Ų64.547%0.47135%0.351SS..Hα-helixtrans-62.8-41.3177.100000111.5D186 V187 S193 S194D186-A190 VanDerWaalsContact O-CB 3.29Å; D186-A190 WeakPolarHBondContact O-CB 3.39Å; D186-A190 PolarHBondContact O-N 2.96Å; V187-A190 PolarHBondContact O-N 2.84Å; A190-S193 PolarHBondContact O-N 3.33Å; A190-S194 PolarHBondContact O-N 2.95Å; A190-S194 PolarHBondContact O-OG 2.82Å
191Y75.8Confident73.9Confident116 Ų11670 Ų7046%0.45538%0.376SS..Hα-helixtrans-62.4-50.3175.3-175.4-102.7000111.5I144 V187 V188 K189 S193 S194 T195I144-Y191 HydrophobicContact CD1-CD2 4.11Å; I144-Y191 HydrophobicContact CD1-CG 4.24Å; V187-Y191 WeakPolarHBondContact O-CB 3.33Å; V187-Y191 PolarHBondContact O-N 3.47Å; V188-Y191 PolarHBondContact O-N 3Å; K189-Y191 VanDerWaalsContact C-N 3.33Å; K189-Y191 PolarHBondContact O-N 3.5Å; Y191-S193 PolarHBondContact O-N 3.25Å; Y191-S194 WeakPolarHBondContact CA-OG 3.47Å; Y191-S194 PolarHBondContact O-N 2.84Å; Y191-S194 PolarHBondContact O-OG 3.47Å; Y191-T195 PolarHBondContact O-N 2.8Å; Y191-T195 PolarHBondContact O-OG1 3.42Å
192S72Confident72.4Confident66 Ų6676.7 Ų76.746%0.46241%0.407SS..Hα-helixtrans-56.8-39.5177.7-55.20000112.1V188 K189 S196V188-S192 WeakPolarHBondContact O-CB 3.33Å; V188-S192 PolarHBondContact O-N 3.2Å; V188-S192 PolarHBondContact O-OG 3.18Å; K189-S192 PolarHBondContact O-N 3.44Å; S192-S196 WeakPolarHBondContact O-CB 3.45Å; S192-S196 PolarHBondContact O-N 2.86Å; S192-S196 VanDerWaalsContact O-N 3.11Å
193S71.3Confident70.8Confident69 Ų6976 Ų7648%0.48341%0.409SS..Hα-helixtrans-66.5-44.7175.7-54.90000111.8K189 A190 Y191 S196 L197K189-S193 WeakPolarHBondContact O-CB 3.39Å; K189-S193 PolarHBondContact O-N 2.77Å; K189-S193 PolarHBondContact O-OG 3.33Å; A190-S193 PolarHBondContact O-N 3.33Å; Y191-S193 PolarHBondContact O-N 3.25Å; S193-S196 PolarHBondContact O-N 2.95Å; S193-S196 PolarHBondContact O-OG 3.34Å; S193-L197 PolarHBondContact O-N 2.87Å; S193-L197 VanDerWaalsContact O-N 3.1Å
194S67.9Low69.2Low50 Ų5074.7 Ų74.735%0.3541%0.411SS..Hα-helixtrans-64.5-43.4177.764.30000113.3A190 Y191 S196 L197 D198A190-S194 PolarHBondContact O-N 2.95Å; A190-S194 PolarHBondContact O-OG 2.82Å; Y191-S194 WeakPolarHBondContact CA-OG 3.47Å; Y191-S194 PolarHBondContact O-N 2.84Å; Y191-S194 PolarHBondContact O-OG 3.47Å; S194-S196 VanDerWaalsContact C-N 3.31Å; S194-S196 PolarHBondContact O-N 3.36Å; S194-L197 PolarHBondContact O-N 3.26Å; S194-D198 PolarHBondContact O-N 3.26Å
195T64.1Low67.7Low56 Ų5677.4 Ų77.434%0.34443%0.434SS..Hα-helixtrans-63.3-38.6176.8-55.30000111.4Y191 L197 Q199Y191-T195 PolarHBondContact O-N 2.8Å; Y191-T195 PolarHBondContact O-OG1 3.42Å; T195-L197 VanDerWaalsContact C-N 3.34Å; T195-L197 PolarHBondContact O-N 3.41Å; T195-Q199 VanDerWaalsContact O-CB 3.23Å; T195-Q199 WeakPolarHBondContact O-CB 3.46Å; T195-Q199 PolarHBondContact O-N 3.25Å
196S60Low66.1Low65 Ų6584.6 Ų84.646%0.45547%0.465SS..Hα-helixtrans-63.7-38.6174.675.60000112.7S192 S193 S194 Q199 Q200S192-S196 WeakPolarHBondContact O-CB 3.45Å; S192-S196 PolarHBondContact O-N 2.86Å; S192-S196 VanDerWaalsContact O-N 3.11Å; S193-S196 PolarHBondContact O-N 2.95Å; S193-S196 PolarHBondContact O-OG 3.34Å; S194-S196 VanDerWaalsContact C-N 3.31Å; S194-S196 PolarHBondContact O-N 3.36Å; S196-Q199 PolarHBondContact O-N 2.88Å; S196-Q200 WeakPolarHBondContact O-CB 3.45Å; S196-Q200 PolarHBondContact O-N 2.95Å
197L57.3Low64.6Low88 Ų8886 Ų8646%0.46147%0.472SS..Hα-helixtrans-70.4-43.7178.4-116.4153.6000112.1S193 S194 T195 Q199 Q200 H201S193-L197 PolarHBondContact O-N 2.87Å; S193-L197 VanDerWaalsContact O-N 3.1Å; S194-L197 PolarHBondContact O-N 3.26Å; T195-L197 VanDerWaalsContact C-N 3.34Å; T195-L197 PolarHBondContact O-N 3.41Å; L197-Q199 VanDerWaalsContact C-N 3.32Å; L197-Q199 PolarHBondContact O-N 3.37Å; L197-Q200 PolarHBondContact O-N 3.48Å; L197-H201 PolarHBondContact O-CD2 2.84Å; L197-H201 PolarHBondContact O-N 3.21Å
198D55.7Low63.2Low95 Ų9593 Ų9351%0.50851%0.509SS..Hα-helixtrans-63.6-38.8174.6-80.2-28.3000111.6S194 H201 Q202S194-D198 PolarHBondContact O-N 3.26Å; D198-H201 PolarHBondContact O-N 2.79Å; D198-Q202 WeakPolarHBondContact O-CG 3.21Å; D198-Q202 PolarHBondContact O-N 3.5Å
199Q56.7Low61.9Low135 Ų13597.7 Ų97.763%0.63154%0.537SS*.Hα-helixtrans-66.4-39.4175.1-160.916644.900111.1T195 S196 L197 Q202 S203T195-Q199 VanDerWaalsContact O-CB 3.23Å; T195-Q199 WeakPolarHBondContact O-CB 3.46Å; T195-Q199 PolarHBondContact O-N 3.25Å; S196-Q199 PolarHBondContact O-N 2.88Å; L197-Q199 VanDerWaalsContact C-N 3.32Å; L197-Q199 PolarHBondContact O-N 3.37Å; Q199-Q202 PolarHBondContact O-N 2.86Å; Q199-S203 PolarHBondContact O-N 2.93Å; Q199-S203 PolarHBondContact O-OG 3.5Å
200Q58.2Low60.3Low128 Ų12894.7 Ų94.760%0.59854%0.541SS*.Hα-helixtrans-64.8-42174.7-167.7177.2-15.900112.3S196 L197 Q202 S203 A204S196-Q200 WeakPolarHBondContact O-CB 3.45Å; S196-Q200 PolarHBondContact O-N 2.95Å; L197-Q200 PolarHBondContact O-N 3.48Å; Q200-Q202 VanDerWaalsContact C-N 3.35Å; Q200-S203 VanDerWaalsContact CA-OG 3.25Å; Q200-S203 WeakPolarHBondContact CA-OG 3.32Å; Q200-S203 PolarHBondContact O-N 3.29Å; Q200-S203 PolarHBondContact O-OG 2.96Å; Q200-A204 WeakPolarHBondContact O-CB 3.38Å; Q200-A204 PolarHBondContact O-N 2.92Å
201H54.3Low58.3Low117 Ų11796.9 Ų96.954%0.54255%0.553SS.*Hα-helixtrans-63.1-39.9174.7-74.5-174.6000111.9L197 D198 A205L197-H201 PolarHBondContact O-CD2 2.84Å; L197-H201 PolarHBondContact O-N 3.21Å; D198-H201 PolarHBondContact O-N 2.79Å; H201-A205 WeakPolarHBondContact O-CB 3.24Å; H201-A205 PolarHBondContact O-N 2.99Å
202Q59.3Low56.8Low143 Ų14396.9 Ų96.967%0.66857%0.567SS**Hα-helixtrans-69.2-37.1175.8-72.8179.622.200112.7D198 Q199 Q200 K206D198-Q202 WeakPolarHBondContact O-CG 3.21Å; D198-Q202 PolarHBondContact O-N 3.5Å; Q199-Q202 PolarHBondContact O-N 2.86Å; Q200-Q202 VanDerWaalsContact C-N 3.35Å; Q202-K206 PolarHBondContact O-N 3.49Å
203S57.8Low55Low60 Ų60100.6 Ų100.642%0.4259%0.586SS.*Hα-helixtrans-68.1-41.3173.542.90000112.7Q199 Q200 A205 K206 D207Q199-S203 PolarHBondContact O-N 2.93Å; Q199-S203 PolarHBondContact O-OG 3.5Å; Q200-S203 VanDerWaalsContact CA-OG 3.25Å; Q200-S203 WeakPolarHBondContact CA-OG 3.32Å; Q200-S203 PolarHBondContact O-N 3.29Å; Q200-S203 PolarHBondContact O-OG 2.96Å; S203-A205 PolarHBondContact O-N 2.87Å; S203-K206 WeakPolarHBondContact O-CB 3.46Å; S203-K206 PolarHBondContact O-N 3.3Å; S203-K206 VanDerWaalsContact O-N 3.12Å; S203-D207 PolarHBondContact O-N 3.32Å
204A56.9Low53.5Low53 Ų53109.3 Ų109.344%0.43861%0.609SS.*Hα-helixtrans-66.3-35.6177.300000112.6Q200 K206 D207Q200-A204 WeakPolarHBondContact O-CB 3.38Å; Q200-A204 PolarHBondContact O-N 2.92Å; A204-K206 VanDerWaalsContact C-N 3.27Å; A204-K206 PolarHBondContact O-N 2.92Å; A204-D207 PolarHBondContact O-N 3.47Å
205A55Low51.9Low59 Ų59110.4 Ų110.449%0.48863%0.628SS.*Hα-helixtrans-68.4-27.4173.500000112.8H201 S203 T209H201-A205 WeakPolarHBondContact O-CB 3.24Å; H201-A205 PolarHBondContact O-N 2.99Å; S203-A205 PolarHBondContact O-N 2.87Å; A205-T209 PolarHBondContact O-OG1 2.92Å
206K53.9Low50.5Low163 Ų163112.5 Ų112.571%0.70965%0.651SS**Hα-helixtrans-74.6-32.2177.5-150.6169.5-176.4177.20112.1Q202 S203 A204 L208 T209Q202-K206 PolarHBondContact O-N 3.49Å; S203-K206 WeakPolarHBondContact O-CB 3.46Å; S203-K206 PolarHBondContact O-N 3.3Å; S203-K206 VanDerWaalsContact O-N 3.12Å; A204-K206 VanDerWaalsContact C-N 3.27Å; A204-K206 PolarHBondContact O-N 2.92Å; K206-L208 VanDerWaalsContact C-N 3.31Å; K206-L208 PolarHBondContact O-N 3.43Å; K206-T209 PolarHBondContact O-N 3.38Å; K206-T209 PolarHBondContact O-OG1 3.35Å
207D54.4Low50.2Low131 Ų131115.2 Ų115.270%0.70167%0.667SS**Hα-helixtrans-70.3-25.7175.3-69.6-24.6000112.9S203 A204 T209S203-D207 PolarHBondContact O-N 3.32Å; A204-D207 PolarHBondContact O-N 3.47Å; D207-T209 VanDerWaalsContact C-N 3.31Å; D207-T209 PolarHBondContact O-N 2.88Å
208L53.3Low49Very low156 Ų156116.4 Ų116.482%0.81768%0.683SS**THydrogen-bonded Turntrans-79-8.1175.9-68.5172.2000114.3K206K206-L208 VanDerWaalsContact C-N 3.31Å; K206-L208 PolarHBondContact O-N 3.43Å
209T53.3Low48Very low122 Ų122117.6 Ų117.675%0.74869%0.694SS**THydrogen-bonded Turntrans-104.80.4173.822.40000113.6A205 K206 D207A205-T209 PolarHBondContact O-OG1 2.92Å; K206-T209 PolarHBondContact O-N 3.38Å; K206-T209 PolarHBondContact O-OG1 3.35Å; D207-T209 VanDerWaalsContact C-N 3.31Å; D207-T209 PolarHBondContact O-N 2.88Å
210G49Very low47.4Very low60 Ų60118.1 Ų118.162%0.61970%0.7SS**  trans-9966.3176.100000113.3
211S39Very low46.4Very low102 Ų102120.7 Ų120.771%0.71371%0.711SS**  trans-79.9134.8166.9-174.30000110.3V213S211-V213 PolarHBondContact O-N 2.82Å
212P44.1Very low45.7Very low117 Ų117119.8 Ų119.876%0.7671%0.714SS**  trans-79.9108.3-176.131.4-31.1000110.4R214P212-R214 PolarHBondContact O-N 3.5Å
213V34.6Very low44.7Very low143 Ų143118.9 Ų118.987%0.86772%0.719SS**  trans-80.7103.8167.9178.50000108.8S211S211-V213 PolarHBondContact O-N 2.82Å
214R38.8Very low43.7Very low252 Ų252125.5 Ų125.595%0.95174%0.736SS**  trans-124114.9162.9-149.6-176.3-156.3-171.76.5108.1P212P212-R214 PolarHBondContact O-N 3.5Å
215G34.3Very low42.8Very low73 Ų73131 Ų13175%0.75376%0.757SS**  trans147.9114.517100000113
216A35.6Very low42.2Very low101 Ų101133.2 Ų133.284%0.83577%0.766SS**  trans-88.4-164.6-176.100000112.5
217P53.5Low41.2Very low122 Ų122130.5 Ų130.579%0.79277%0.768SS**  -111158.6-109.337.2-21.7000113.9
218S31.4Very low40.2Very low113 Ų113130.8 Ų130.879%0.7977%0.774SS**  trans-173.3134145.1-148.10000115.3
219T34.1Very low39.5Very low120 Ų120127 Ų12774%0.73677%0.774SS**  trans71.1103.8139.6-58.90000121.1
220I43.8Very low38.7Very low146 Ų146129.8 Ų129.875%0.74978%0.778SS**  trans-28.7129.6151.4-59.7161.7000113.7
221Q38.3Very low38.1Very low181 Ų181138.3 Ų138.385%0.84679%0.792SS**  trans-145.6136.3135.1-74.8-144.74.100111.6
222V38.8Very low38.2Very low99 Ų99138.6 Ų138.660%0.679%0.794SS**  trans-100.9122.5179.41720000107.3Y224V222-Y224 HydrophobicContact CG1-CD2 3.85Å; V222-Y224 HydrophobicContact CG1-CE2 3.36Å
223T39.2Very low38.2Very low124 Ų124142.4 Ų142.476%0.76180%0.798SS**  trans-141.2118.5164.7-610000109.4
224Y36.4Very low38.8Very low198 Ų198147.2 Ų147.278%0.77680%0.801SS**  trans-80.3148178.3-66.9-95.8000111.3V222V222-Y224 HydrophobicContact CG1-CD2 3.85Å; V222-Y224 HydrophobicContact CG1-CE2 3.36Å
225L37.5Very low39.1Very low168 Ų168140.3 Ų140.388%0.8879%0.789SS**  trans-148.9145.3145.9-105132.2000111
226P42Very low39.6Very low107 Ų107147.2 Ų147.270%0.69580%0.798SS**  trans-110.2157.5-160.936.4-22.8000114.9
227S34.2Very low40Very low106 Ų106149.6 Ų149.674%0.74179%0.791SS**  trans47.7125.6143.9-148.50000119.1
228T33.8Very low39.6Very low136 Ų136152.5 Ų152.583%0.83479%0.792SS**  -175.1149.277.840.20000110.4
229G37.4Very low40.6Very low78 Ų78153.7 Ų153.780%0.80479%0.789SS**  trans152.465.5164.900000119.6
230Q37.4Very low41.3Very low180 Ų180154.7 Ų154.784%0.84179%0.785SS**  trans43.1105.2148.1-70.7-116.9-40.400123.5
231R36.9Very low41.4Very low238 Ų238156.2 Ų156.290%0.89879%0.794SS**  23.7128.1128.5-77.4-178.9169.8171.3-1.8121.1
232S40.5Very low41.8Very low109 Ų109155.9 Ų155.976%0.76279%0.79SS**  -165.8104.8119.4-170.60000114.7
233K43.7Very low42Very low196 Ų196156 Ų15685%0.85280%0.795SS**  trans42.4107.6137.9-57.3179.2-179.2177.40122.5
234R46.6Very low42.3Very low244 Ų244160.7 Ų160.792%0.92181%0.805SS**  40.3166.2125.3-87.4-170.4179.2176.9-0.3121.3
235P45Very low43Very low107 Ų107159.4 Ų159.470%0.69580%0.803SS**  cis-131.9141-48.135.1-17.5000111.5H237P235-H237 PolarHBondContact O-N 3.04Å
236K46.1Very low43.4Very low219 Ų219157.9 Ų157.995%0.95280%0.796SS**  trans-89.9105.3167.7-76.5-173.9-178.9176.80110.2F238K236-F238 PolarHBondContact O-N 3.2Å
237H43.5Very low43.4Very low150 Ų150160 Ų16069%0.69480%0.802SS**  trans-40.3121.1170.4-170.8-106.7000112.6P235 L239P235-H237 PolarHBondContact O-N 3.04Å; H237-L239 WeakPolarHBondContact ND1-CD1 3.32Å; H237-L239 WeakPolarHBondContact ND1-CG 3.3Å; H237-L239 PolarHBondContact O-N 3.3Å
238F45.5Very low43.7Very low183 Ų183165.9 Ų165.980%0.80381%0.809SS**  trans-70.1101.6166.7-158.9-96.1000106.9K236 E240K236-F238 PolarHBondContact O-N 3.2Å; F238-E240 HydrophobicContact CD1-CG 3.98Å; F238-E240 HydrophobicContact CE1-CG 4.02Å
239L51.8Low44.4Very low139 Ų139166.6 Ų166.673%0.72881%0.808SS**  trans-93.699.1165.8-102.6154.2000107.5H237 L241H237-L239 WeakPolarHBondContact ND1-CD1 3.32Å; H237-L239 WeakPolarHBondContact ND1-CG 3.3Å; H237-L239 PolarHBondContact O-N 3.3Å; L239-L241 PolarHBondContact O-N 2.93Å
240E48.3Very low44.7Very low141 Ų141169.6 Ų169.666%0.65981%0.811SS**  trans-47.7114.5162.3-70.7-180140.700109.5F238 K242F238-E240 HydrophobicContact CD1-CG 3.98Å; F238-E240 HydrophobicContact CE1-CG 4.02Å; E240-K242 PolarHBondContact O-N 3.13Å
241L46.9Very low45Very low178 Ų178167.8 Ų167.893%0.93281%0.806SS**  trans-74.285.6160.3-84.4156.5000107.3L239 S243L239-L241 PolarHBondContact O-N 2.93Å; L241-S243 PolarHBondContact O-N 3.05Å
242K46Very low45.5Very low174 Ų174165.7 Ų165.776%0.75781%0.807SS**  trans-69.8119.9170-148.9167.4-173168.60108E240 F244E240-K242 PolarHBondContact O-N 3.13Å; K242-F244 PolarHBondContact O-N 3.46Å
243S43.3Very low45.6Very low101 Ų101165.6 Ų165.671%0.70681%0.806SS**  trans-51.5119.1-179.356.50000112.1L241 K245L241-S243 PolarHBondContact O-N 3.05Å; S243-K245 VanDerWaalsContact C-N 3.28Å; S243-K245 PolarHBondContact O-N 3.2Å
244F44.6Very low45.5Very low223 Ų223163 Ų16398%0.97881%0.807SS**  trans-79.781.6164.8-108.3-94.8000109K242K242-F244 PolarHBondContact O-N 3.46Å
245K52.5Low45.2Very low170 Ų170162.8 Ų162.874%0.73982%0.823SS**  trans-135.1132.8163.6-162.296178.1-176.30105.4S243S243-K245 VanDerWaalsContact C-N 3.28Å; S243-K245 PolarHBondContact O-N 3.2Å
246D44.8Very low45.2Very low137 Ų137165.6 Ų165.673%0.73383%0.829SS**  trans85.394.2175.4-47.4-30.3000116
247N42.9Very low45.2Very low151 Ų151162.8 Ų162.881%0.80782%0.823SS**  trans-167.871140.7-93-40.6000110.2
248Y40.4Very low45.2Very low230 Ų230163.5 Ų163.590%0.90283%0.83SS**  trans-132.884.1153.5-86.2-80.1000106.8
249N47.4Very low45.2Very low151 Ų151162.4 Ų162.481%0.80783%0.831SS**  trans-174.680.9157.4-91.4-20.3000108.7
250T44.7Very low44.8Very low140 Ų140163.8 Ų163.886%0.85984%0.838SS**  trans-133.994.9151.5-27.60000107.9
251L44.1Very low44.6Very low143 Ų143165.3 Ų165.375%0.74985%0.85SS**  trans-40.1135.5165.2-60.3160000109.9S253L251-S253 PolarHBondContact O-N 3.36Å
252E47.1Very low44.4Very low193 Ų193164.4 Ų164.490%0.90284%0.844SS**  29.682.192.6-73.1-145170.300112.4
253S43Very low44.3Very low107 Ų107163.7 Ų163.775%0.74885%0.851SS**  trans-173.585.2149.2179.50000109.5L251L251-S253 PolarHBondContact O-N 3.36Å
254T41.1Very low44.4Very low143 Ų143168.9 Ų168.988%0.87786%0.863SS**  trans-139.7116.8142.9-19.40000108.6
255L40.1Very low44.4Very low239 Ų239164 Ų164100%1.25185%0.852SS**  trans-43.10163.2-75.5146.5000112.8

Retrieved 255 of 255 residues in 328.6 ms (Link to these results)