A0A060W4Y2_ONCMY Loading...

Reactive oxygen species modulator 1

Has antibacterial activity against a variety of bacteria including S.aureus, P.aeruginosa and M.tuberculosis. Acts by inducing bacterial membrane breakage. Induces production of reactive oxygen species (ROS) which are necessary for cell proliferation. May play a role in inducing oxidative DNA damage and replicative senescence. May play a role in the coordination of mitochondrial morphology and cell proliferation.

AlphaFold DB , UniProt , Accession A0A060W4Y2, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 79 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M40.5Very low46.6Very low211 Ų211134.1 Ų134.1100%1.03979%0.785SS**  0112.5053.1-168.1-79.100108.4V3M1-V3 PolarHBondContact O-N 3.45Å
2P60.4Low46.5Very low130 Ų130137.1 Ų137.184%0.84479%0.786SS**  trans-65.9120.2169.828.8-30.2000107A4P2-A4 PolarHBondContact O-N 3.33Å; P2-A4 VanDerWaalsContact O-N 3.13Å
3V52.8Low47.5Very low125 Ų125129.6 Ų129.676%0.75875%0.745SS**  trans-61.4114.8172.6-96.10000107.8M1 V5M1-V3 PolarHBondContact O-N 3.45Å; V3-V5 PolarHBondContact O-N 3.37Å
4A50.6Low49.2Very low99 Ų99125.1 Ų125.182%0.81873%0.731SS**  trans-61101.1173.500000108.9P2 G6P2-A4 PolarHBondContact O-N 3.33Å; P2-A4 VanDerWaalsContact O-N 3.13Å; A4-G6 PolarHBondContact O-N 3.08Å
5V52.8Low51Low140 Ų140120.1 Ų120.185%0.84871%0.705SS**  trans-63.3124.1156.7-75.80000107.1V3V3-V5 PolarHBondContact O-N 3.37Å
6G39.7Very low52.8Low55 Ų55120.1 Ų120.157%0.56770%0.699SS**  trans-56.5174.6-173.400000115.3A4 Y8A4-G6 PolarHBondContact O-N 3.08Å; G6-Y8 PolarHBondContact O-N 3.38Å
7P43Very low54.5Low128 Ų128116.8 Ų116.883%0.83168%0.678SS**  trans-66.896.4-151.129.1-37000113.5
8Y45.8Very low55.8Low174 Ų174115.6 Ų115.668%0.68266%0.661SS**  trans-105.329.9151.9-94.4-88.5000111G6 M21G6-Y8 PolarHBondContact O-N 3.38Å; Y8-M21 WeakPolarHBondContact OH-CE 3.29Å; Y8-M21 PolarHBondContact OH-SD 2.96Å; Y8-M21 VanDerWaalsContact OH-SD 3.33Å
9G45.2Very low57.2Low56 Ų56112.4 Ų112.458%0.57764%0.641SS**  trans-85.9136.4166.600000110.4
10Q38.9Very low58.5Low186 Ų186112.8 Ų112.887%0.86964%0.635SS**SBendtrans97.214.4150.4-60.8-66.9-64.200121
11Q42.7Very low59.8Low171 Ų171111 Ų11180%0.79962%0.622SS**  trans-147114.1153-155.2121.5-75.300107.1P13Q11-P13 VanDerWaalsContact C-N 3.3Å; Q11-P13 WeakPolarHBondContact O-CD 3.33Å
12Q45.8Very low61.9Low170 Ų170101.3 Ų101.379%0.79458%0.576SS**  trans-62.5100.1166.3-167.9171.512.100104.7
13P59.7Low63.3Low40 Ų4099.2 Ų99.226%0.2655%0.554SS.*  trans-72.7142.7-174.138.9-33.1000104.6Q11 D17 R18Q11-P13 VanDerWaalsContact C-N 3.3Å; Q11-P13 WeakPolarHBondContact O-CD 3.33Å; P13-D17 HydrophobicContact CB-CB 3.74Å; P13-D17 HydrophobicContact CG-CB 4.44Å; P13-R18 HydrophobicContact CG-CG 4.04Å
14A70.4Confident64.9Low66 Ų6699.2 Ų99.255%0.54555%0.547SS..  trans-47.2154.5-172.300000110.8I16 D17 R18A14-I16 CarbonylContact O-C 3.57Å; A14-I16 PolarHBondContact O-N 3.44Å; A14-D17 WeakPolarHBondContact O-CA 3.29Å; A14-D17 VanDerWaalsContact O-CB 3.23Å; A14-D17 WeakPolarHBondContact O-CB 3.46Å; A14-D17 PolarHBondContact O-N 3.08Å; A14-R18 PolarHBondContact O-N 3.37Å; A14-R18 VanDerWaalsContact O-N 3.15Å
15C76.7Confident66.8Low50 Ų50100 Ų10034%0.33854%0.535SS..Hα-helixtrans-50.4-38.1-175.8178.70000112.8D17 R18 I19 C79C15-D17 VanDerWaalsContact C-N 3.31Å; C15-D17 PolarHBondContact O-N 2.82Å; C15-R18 PolarHBondContact O-N 3.12Å; C15-I19 VanDerWaalsContact O-CG1 3.25Å; C15-I19 WeakPolarHBondContact O-CG1 3.4Å; C15-I19 PolarHBondContact O-N 3.48Å; C15-C79 WeakPolarHBondContact CA-SG 3.18Å; C15-C79 HydrophobicContact CB-CB 3.58Å; C15-C79 WeakPolarHBondContact CB-SG 2.97Å; C15-C79 PolarHBondContact O-SG 3.4Å; C15-C79 WeakPolarHBondContact SG-CB 3.34Å; C15-C79 CovalentContact SG-SG 2.04Å; C15-C79 PolarHBondContact SG-SG 3.21Å
16I79.9Confident68.5Low120 Ų12093.6 Ų93.662%0.61550%0.497SS*.Hα-helixtrans-56.9-39.9172.7-83.575.5000113.2A14 I19 K20A14-I16 CarbonylContact O-C 3.57Å; A14-I16 PolarHBondContact O-N 3.44Å; I16-I19 PolarHBondContact O-N 3.27Å; I16-K20 PolarHBondContact O-N 3.41Å
17D81.3Confident70.8Confident65 Ų6594.3 Ų94.335%0.34849%0.485SS..Hα-helixtrans-73.3-36.7-177.5-141.5-80.5000111.3P13 A14 C15 K20 M21P13-D17 HydrophobicContact CB-CB 3.74Å; P13-D17 HydrophobicContact CG-CB 4.44Å; A14-D17 WeakPolarHBondContact O-CA 3.29Å; A14-D17 VanDerWaalsContact O-CB 3.23Å; A14-D17 WeakPolarHBondContact O-CB 3.46Å; A14-D17 PolarHBondContact O-N 3.08Å; C15-D17 VanDerWaalsContact C-N 3.31Å; C15-D17 PolarHBondContact O-N 2.82Å; D17-K20 PolarHBondContact O-N 3.12Å; D17-M21 WeakPolarHBondContact O-CB 3.49Å; D17-M21 PolarHBondContact O-N 2.89Å
18R77.2Confident72.9Confident94 Ų9491 Ų9136%0.35547%0.468SS..Hα-helixtrans-62.8-42.5167.2-79.2-163.7-173.5-155.30.5112.3P13 A14 C15 K20 M21 G22P13-R18 HydrophobicContact CG-CG 4.04Å; A14-R18 PolarHBondContact O-N 3.37Å; A14-R18 VanDerWaalsContact O-N 3.15Å; C15-R18 PolarHBondContact O-N 3.12Å; R18-K20 VanDerWaalsContact C-N 3.33Å; R18-K20 PolarHBondContact O-N 3.07Å; R18-M21 PolarHBondContact O-N 3.06Å; R18-G22 PolarHBondContact O-N 2.85Å
19I83.7Confident75Confident56 Ų5687.4 Ų87.429%0.28746%0.464SS..Hα-helixtrans-61.6-43.4176.4-66.8164.6000110.1C15 I16 G22 F23C15-I19 VanDerWaalsContact O-CG1 3.25Å; C15-I19 WeakPolarHBondContact O-CG1 3.4Å; C15-I19 PolarHBondContact O-N 3.48Å; I16-I19 PolarHBondContact O-N 3.27Å; I19-G22 PolarHBondContact O-N 3.42Å; I19-F23 WeakPolarHBondContact O-CB 3.38Å; I19-F23 PolarHBondContact O-N 2.86Å
20K83.1Confident77Confident120 Ų12084.7 Ų84.752%0.52244%0.436SS..Hα-helixtrans-61.2-46.7175.2-104.9174.570.4-168.20112.6I16 D17 R18 F23 M24I16-K20 PolarHBondContact O-N 3.41Å; D17-K20 PolarHBondContact O-N 3.12Å; R18-K20 VanDerWaalsContact C-N 3.33Å; R18-K20 PolarHBondContact O-N 3.07Å; K20-F23 PolarHBondContact O-N 2.91Å; K20-M24 PolarHBondContact O-N 2.99Å
21M84.8Confident79.3Confident76 Ų7679 Ų7937%0.37441%0.41SS..Hα-helixtrans-62.1-43.9176.4-83.5-72-172.800111.6Y8 D17 R18 F23 M24 M25Y8-M21 WeakPolarHBondContact OH-CE 3.29Å; Y8-M21 PolarHBondContact OH-SD 2.96Å; Y8-M21 VanDerWaalsContact OH-SD 3.33Å; D17-M21 WeakPolarHBondContact O-CB 3.49Å; D17-M21 PolarHBondContact O-N 2.89Å; R18-M21 PolarHBondContact O-N 3.06Å; M21-F23 PolarHBondContact O-N 3.39Å; M21-M24 PolarHBondContact O-N 2.97Å; M21-M25 WeakPolarHBondContact O-CG 3.19Å; M21-M25 PolarHBondContact O-N 2.87Å
22G86.3Confident81.4Confident6 Ų673.5 Ų73.56%0.06239%0.394CS..Hα-helixtrans-62.1-41.6175.500000112.8R18 I19 G26 M71R18-G22 PolarHBondContact O-N 2.85Å; I19-G22 PolarHBondContact O-N 3.42Å; G22-G26 PolarHBondContact O-N 3.16Å; G22-M71 WeakPolarHBondContact O-CB 3.46Å
23F88.1Confident83.3Confident86 Ų8667 Ų6738%0.37737%0.37SS..Hα-helixtrans-63.5-47.6174.4-174.7-97.2000111.7I19 K20 M21 G26 F27 G68I19-F23 WeakPolarHBondContact O-CB 3.38Å; I19-F23 PolarHBondContact O-N 2.86Å; K20-F23 PolarHBondContact O-N 2.91Å; M21-F23 PolarHBondContact O-N 3.39Å; F23-G26 PolarHBondContact O-N 3.42Å; F23-F27 HydrophobicContact CE1-CB 4.48Å; F23-F27 HydrophobicContact CZ-CD2 4.37Å; F23-F27 WeakPolarHBondContact O-CB 3.31Å; F23-F27 PolarHBondContact O-N 3.4Å; F23-G68 VanDerWaalsContact CD2-C 3.45Å; F23-G68 WeakPolarHBondContact CD2-O 3.17Å
24M88.1Confident84.5Confident126 Ų12665.4 Ų65.462%0.62136%0.36SS*.Hα-helixtrans-62.1-45.3179-81.7-165.7179.600112.4K20 M21 F27 A28K20-M24 PolarHBondContact O-N 2.99Å; M21-M24 PolarHBondContact O-N 2.97Å; M24-F27 PolarHBondContact O-N 2.91Å; M24-A28 WeakPolarHBondContact O-CB 3.32Å; M24-A28 PolarHBondContact O-N 2.92Å
25M89Confident85.1Confident116 Ų11663.3 Ų63.357%0.57134%0.343SS*.Hα-helixtrans-65.8-44.9177.3-72.7-164.4171.600111.6M21 F27 A28 V29M21-M25 WeakPolarHBondContact O-CG 3.19Å; M21-M25 PolarHBondContact O-N 2.87Å; M25-F27 VanDerWaalsContact C-N 3.33Å; M25-F27 PolarHBondContact O-N 3.35Å; M25-A28 PolarHBondContact O-N 2.88Å; M25-V29 VanDerWaalsContact O-CG2 3.3Å; M25-V29 WeakPolarHBondContact O-CG2 3.39Å; M25-V29 PolarHBondContact O-N 3.48Å
26G88.3Confident85.4Confident4 Ų467.6 Ų67.64%0.04136%0.36CS..Hα-helixtrans-63.8-38177.200000112.8G22 F23 G30 F67G22-G26 PolarHBondContact O-N 3.16Å; F23-G26 PolarHBondContact O-N 3.42Å; G26-G30 PolarHBondContact O-N 2.84Å; G26-F67 WeakPolarHBondContact O-CB 3.47Å
27F88.2Confident85.4Confident71 Ų7169.3 Ų69.331%0.31136%0.363SS..Hα-helixtrans-67.3-44.3175.7-173.2-95.8000111.5F23 M24 M25 G30 M31 G64F23-F27 HydrophobicContact CE1-CB 4.48Å; F23-F27 HydrophobicContact CZ-CD2 4.37Å; F23-F27 WeakPolarHBondContact O-CB 3.31Å; F23-F27 PolarHBondContact O-N 3.4Å; M24-F27 PolarHBondContact O-N 2.91Å; M25-F27 VanDerWaalsContact C-N 3.33Å; M25-F27 PolarHBondContact O-N 3.35Å; F27-G30 PolarHBondContact O-N 3.3Å; F27-M31 HydrophobicContact CD1-CG 3.94Å; F27-M31 HydrophobicContact CE1-CE 3.97Å; F27-M31 HydrophobicContact CE1-CG 3.62Å; F27-M31 HydrophobicContact CE1-SD 4.04Å; F27-M31 HydrophobicContact CE2-CG 4.37Å; F27-M31 HydrophobicContact CG-CG 4.44Å; F27-M31 HydrophobicContact CZ-CE 4.14Å; F27-M31 HydrophobicContact CZ-CG 3.85Å; F27-M31 HydrophobicContact CZ-SD 3.84Å; F27-M31 VanDerWaalsContact O-CB 3.3Å; F27-M31 WeakPolarHBondContact O-CB 3.26Å; F27-M31 WeakPolarHBondContact O-CG 3.46Å; F27-M31 PolarHBondContact O-N 3.47Å; F27-G64 VanDerWaalsContact CD2-C 3.4Å; F27-G64 WeakPolarHBondContact CD2-O 3.39Å
28A87.9Confident85.1Confident59 Ų5966.4 Ų66.449%0.48835%0.349SS..Hα-helixtrans-62.2-45.1176.900000112M24 M25 M31 A32M24-A28 WeakPolarHBondContact O-CB 3.32Å; M24-A28 PolarHBondContact O-N 2.92Å; M25-A28 PolarHBondContact O-N 2.88Å; A28-M31 PolarHBondContact O-N 2.86Å; A28-A32 WeakPolarHBondContact O-CB 3.5Å; A28-A32 PolarHBondContact O-N 2.77Å
29V88.9Confident84.9Confident97 Ų9764.6 Ų64.659%0.58835%0.348SS*.Hα-helixtrans-66.8-42.6176.8174.50000111.1M25 M31 A32 A33M25-V29 VanDerWaalsContact O-CG2 3.3Å; M25-V29 WeakPolarHBondContact O-CG2 3.39Å; M25-V29 PolarHBondContact O-N 3.48Å; V29-M31 VanDerWaalsContact C-N 3.34Å; V29-M31 PolarHBondContact O-N 3.19Å; V29-A32 PolarHBondContact O-N 2.93Å; V29-A33 WeakPolarHBondContact O-CB 3.31Å; V29-A33 PolarHBondContact O-N 3.27Å
30G89.1Confident84.5Confident0 Ų069.3 Ų69.30%037%0.367CS..Hα-helixtrans-64.9-36.3177.500000113.1G26 F27 G34 S63G26-G30 PolarHBondContact O-N 2.84Å; F27-G30 PolarHBondContact O-N 3.3Å; G30-G34 PolarHBondContact O-N 3.38Å; G30-S63 WeakPolarHBondContact O-CB 3.14Å; G30-S63 PolarHBondContact O-OG 3.35Å
31M87Confident83.8Confident65 Ų6567 Ų6732%0.3237%0.366SS..Hα-helixtrans-67.3-45172.1-73.3-87.5-8500110.9F27 A28 V29 G34 A35 M60F27-M31 HydrophobicContact CD1-CG 3.94Å; F27-M31 HydrophobicContact CE1-CE 3.97Å; F27-M31 HydrophobicContact CE1-CG 3.62Å; F27-M31 HydrophobicContact CE1-SD 4.04Å; F27-M31 HydrophobicContact CE2-CG 4.37Å; F27-M31 HydrophobicContact CG-CG 4.44Å; F27-M31 HydrophobicContact CZ-CE 4.14Å; F27-M31 HydrophobicContact CZ-CG 3.85Å; F27-M31 HydrophobicContact CZ-SD 3.84Å; F27-M31 VanDerWaalsContact O-CB 3.3Å; F27-M31 WeakPolarHBondContact O-CB 3.26Å; F27-M31 WeakPolarHBondContact O-CG 3.46Å; F27-M31 PolarHBondContact O-N 3.47Å; A28-M31 PolarHBondContact O-N 2.86Å; V29-M31 VanDerWaalsContact C-N 3.34Å; V29-M31 PolarHBondContact O-N 3.19Å; M31-G34 PolarHBondContact O-N 3.26Å; M31-A35 WeakPolarHBondContact O-CB 3.31Å; M31-A35 PolarHBondContact O-N 2.59Å; M31-M60 HydrophobicContact SD-CB 3.78Å
32A86.7Confident83Confident56 Ų5663.8 Ų63.846%0.46335%0.351SS..Hα-helixtrans-65.1-43.3178.500000112.7A28 V29 A35 M36A28-A32 WeakPolarHBondContact O-CB 3.5Å; A28-A32 PolarHBondContact O-N 2.77Å; V29-A32 PolarHBondContact O-N 2.93Å; A32-A35 WeakPolarHBondContact O-CB 3.33Å; A32-A35 PolarHBondContact O-N 2.8Å; A32-M36 PolarHBondContact O-N 2.92Å
33A85.6Confident82.1Confident34 Ų3469.5 Ų69.528%0.28138%0.379SS..Hα-helixtrans-67.8-44176.100000111.5V29 A35 M36 F37V29-A33 WeakPolarHBondContact O-CB 3.31Å; V29-A33 PolarHBondContact O-N 3.27Å; A33-A35 PolarHBondContact O-N 2.81Å; A33-M36 PolarHBondContact O-N 2.94Å; A33-F37 WeakPolarHBondContact O-CD2 3.28Å; A33-F37 PolarHBondContact O-N 2.95Å
34G84.3Confident81.1Confident6 Ų676.2 Ų76.26%0.06240%0.402CS..Hα-helixtrans-62.2-33.2173.700000112.6G30 M31 G38 S63G30-G34 PolarHBondContact O-N 3.38Å; M31-G34 PolarHBondContact O-N 3.26Å; G34-G38 VanDerWaalsContact O-CA 3.22Å; G34-G38 WeakPolarHBondContact O-CA 3.22Å; G34-G38 PolarHBondContact O-N 2.9Å; G34-S63 WeakPolarHBondContact CA-OG 3.44Å
35A82.4Confident80.1Confident22 Ų2275.2 Ų75.218%0.18240%0.403CS..Hα-helixtrans-68-48.8173.200000111.5M31 A32 A33 T39 M60M31-A35 WeakPolarHBondContact O-CB 3.31Å; M31-A35 PolarHBondContact O-N 2.59Å; A32-A35 WeakPolarHBondContact O-CB 3.33Å; A32-A35 PolarHBondContact O-N 2.8Å; A33-A35 PolarHBondContact O-N 2.81Å; A35-T39 WeakPolarHBondContact O-CA 3.35Å; A35-T39 WeakPolarHBondContact O-CB 3.04Å; A35-T39 PolarHBondContact O-N 3.07Å; A35-T39 PolarHBondContact O-OG1 3.29Å; A35-M60 HydrophobicContact CB-CE 3.16Å; A35-M60 HydrophobicContact CB-CG 4.16Å; A35-M60 HydrophobicContact CB-SD 4.12Å
36M83.8Confident78.8Confident141 Ų14172.4 Ų72.470%0.69540%0.404SS*.Hα-helixtrans-62.8-52.4179.6-76.9-169.2161.300111.6A32 A33 F40A32-M36 PolarHBondContact O-N 2.92Å; A33-M36 PolarHBondContact O-N 2.94Å; M36-F40 WeakPolarHBondContact O-CB 3.47Å; M36-F40 PolarHBondContact O-N 3.47Å
37F79.8Confident77.4Confident155 Ų15575.2 Ų75.268%0.6842%0.417SS*.Hα-helixtrans-70.3-36.3-179.8-77.1-73000113.1A33 S41A33-F37 WeakPolarHBondContact O-CD2 3.28Å; A33-F37 PolarHBondContact O-N 2.95Å; F37-S41 VanDerWaalsContact O-CB 3.32Å; F37-S41 WeakPolarHBondContact O-CB 3.33Å; F37-S41 PolarHBondContact O-N 2.91Å; F37-S41 PolarHBondContact O-OG 3.41Å
38G74.9Confident76Confident4 Ų483.1 Ų83.14%0.04144%0.444CS..Hα-helixtrans-67.2-44.2175.500000112G34 S41 C42G34-G38 VanDerWaalsContact O-CA 3.22Å; G34-G38 WeakPolarHBondContact O-CA 3.22Å; G34-G38 PolarHBondContact O-N 2.9Å; G38-S41 PolarHBondContact O-N 3.34Å; G38-C42 WeakPolarHBondContact O-CB 3.44Å; G38-C42 PolarHBondContact O-N 2.77Å; G38-C42 PolarHBondContact O-SG 3.17Å
39T73.6Confident74.9Confident56 Ų5683 Ų8334%0.34445%0.449SS..Hα-helixtrans-69.1-41.6179.5-53.30000110.8A35 C42 L43A35-T39 WeakPolarHBondContact O-CA 3.35Å; A35-T39 WeakPolarHBondContact O-CB 3.04Å; A35-T39 PolarHBondContact O-N 3.07Å; A35-T39 PolarHBondContact O-OG1 3.29Å; T39-C42 PolarHBondContact O-N 2.71Å; T39-L43 HydrophobicContact CG2-CD1 3.88Å; T39-L43 VanDerWaalsContact O-CB 3.31Å; T39-L43 WeakPolarHBondContact O-CB 3.38Å; T39-L43 PolarHBondContact O-N 3.35Å
40F75Confident73.7Confident155 Ų15589.3 Ų89.368%0.6846%0.463SS*.Hα-helixtrans-62-43.1173.4-104-85.5000112.7M36 R44M36-F40 WeakPolarHBondContact O-CB 3.47Å; M36-F40 PolarHBondContact O-N 3.47Å; F40-R44 WeakPolarHBondContact O-CB 3.49Å; F40-R44 WeakPolarHBondContact O-CG 3.2Å; F40-R44 PolarHBondContact O-N 2.76Å; F40-R44 VanDerWaalsContact O-N 3.08Å
41S68.3Low72.6Confident71 Ų7196.4 Ų96.450%0.49750%0.496SS..Hα-helixtrans-65.8-41.3177.5-630000111.6F37 G38 R44 V45F37-S41 VanDerWaalsContact O-CB 3.32Å; F37-S41 WeakPolarHBondContact O-CB 3.33Å; F37-S41 PolarHBondContact O-N 2.91Å; F37-S41 PolarHBondContact O-OG 3.41Å; G38-S41 PolarHBondContact O-N 3.34Å; S41-R44 PolarHBondContact O-N 2.89Å; S41-V45 VanDerWaalsContact O-CG2 3.29Å; S41-V45 WeakPolarHBondContact O-CG2 3.4Å; S41-V45 PolarHBondContact O-N 3.45Å; S41-V45 VanDerWaalsContact O-N 3.08Å
42C66.9Low71.6Confident9 Ų995.3 Ų95.36%0.06149%0.491CS..Hα-helixtrans-74.5-34.9-179.3-64.70000113.5G38 T39 R44 V45 G46 M47 L52 V56G38-C42 WeakPolarHBondContact O-CB 3.44Å; G38-C42 PolarHBondContact O-N 2.77Å; G38-C42 PolarHBondContact O-SG 3.17Å; T39-C42 PolarHBondContact O-N 2.71Å; C42-R44 VanDerWaalsContact C-N 3.31Å; C42-V45 PolarHBondContact O-N 3.48Å; C42-G46 PolarHBondContact O-N 2.89Å; C42-M47 HydrophobicContact CB-CE 3.84Å; C42-M47 PolarHBondContact O-N 3.27Å; C42-M47 WeakPolarHBondContact SG-CE 3.46Å; C42-L52 HydrophobicContact CB-CB 4.36Å; C42-L52 HydrophobicContact CB-CD1 3.37Å; C42-L52 HydrophobicContact CB-CD2 4.4Å; C42-L52 HydrophobicContact CB-CG 3.4Å; C42-L52 VanDerWaalsContact CB-CG 3.4Å; C42-V56 HydrophobicContact CB-CG2 4.09Å; C42-V56 WeakPolarHBondContact SG-CG2 3.41Å
43L68.6Low70.8Confident127 Ų12799.8 Ų99.867%0.66550%0.504SS*.Hα-helixtrans-62.1-39.2170.4-88.8159.6000111.3T39 G46T39-L43 HydrophobicContact CG2-CD1 3.88Å; T39-L43 VanDerWaalsContact O-CB 3.31Å; T39-L43 WeakPolarHBondContact O-CB 3.38Å; T39-L43 PolarHBondContact O-N 3.35Å; L43-G46 PolarHBondContact O-N 2.86Å
44R66.6Low70.3Confident226 Ų226100 Ų10085%0.85351%0.509SS*.Hα-helixtrans-68.5-34.2176.8-85-111.7-103.2178.7-8.5113.9F40 S41 C42 G46F40-R44 WeakPolarHBondContact O-CB 3.49Å; F40-R44 WeakPolarHBondContact O-CG 3.2Å; F40-R44 PolarHBondContact O-N 2.76Å; F40-R44 VanDerWaalsContact O-N 3.08Å; S41-R44 PolarHBondContact O-N 2.89Å; C42-R44 VanDerWaalsContact C-N 3.31Å; R44-G46 VanDerWaalsContact C-N 3.29Å
45V66.9Low69.9Low105 Ų105100.8 Ų100.864%0.63652%0.518SS*.Hα-helixtrans-83.1-6.2-180179.40000112.1S41 C42 M47S41-V45 VanDerWaalsContact O-CG2 3.29Å; S41-V45 WeakPolarHBondContact O-CG2 3.4Å; S41-V45 PolarHBondContact O-N 3.45Å; S41-V45 VanDerWaalsContact O-N 3.08Å; C42-V45 PolarHBondContact O-N 3.48Å; V45-M47 HydrophobicContact CB-CE 4.44Å; V45-M47 HydrophobicContact CB-CG 4.19Å; V45-M47 HydrophobicContact CG1-CE 4.46Å; V45-M47 HydrophobicContact CG1-CG 3.75Å; V45-M47 HydrophobicContact CG1-SD 4.21Å; V45-M47 PolarHBondContact O-N 2.96Å
46G61.3Low69.6Low58 Ų58100.1 Ų100.160%0.59851%0.512SS*.THydrogen-bonded Turntrans70.518.2177.100000113.9C42 L43 R44 R48C42-G46 PolarHBondContact O-N 2.89Å; L43-G46 PolarHBondContact O-N 2.86Å; R44-G46 VanDerWaalsContact C-N 3.29Å; G46-R48 PolarHBondContact O-N 3.47Å
47M58.7Low69.5Low63 Ų6395 Ų9531%0.3150%0.495SS..  trans-67.9125.8-179.5-65.2-168.7-69.500110.2C42 V45 L52C42-M47 HydrophobicContact CB-CE 3.84Å; C42-M47 PolarHBondContact O-N 3.27Å; C42-M47 WeakPolarHBondContact SG-CE 3.46Å; V45-M47 HydrophobicContact CB-CE 4.44Å; V45-M47 HydrophobicContact CB-CG 4.19Å; V45-M47 HydrophobicContact CG1-CE 4.46Å; V45-M47 HydrophobicContact CG1-CG 3.75Å; V45-M47 HydrophobicContact CG1-SD 4.21Å; V45-M47 PolarHBondContact O-N 2.96Å; M47-L52 HydrophobicContact CB-CB 4.25Å; M47-L52 WeakPolarHBondContact O-CD1 3.13Å
48R60.3Low69.5Low236 Ų23695 Ų9589%0.89150%0.495SS*.  trans-90122.8-178.3-96.1179.3147.7167.9-5.9111.7G46 R50G46-R48 PolarHBondContact O-N 3.47Å; R48-R50 PolarHBondContact O-N 3.47Å
49G63.7Low69.9Low57 Ų5797.8 Ų97.859%0.58851%0.511SS*.THydrogen-bonded Turntrans62.7-89.4159.400000115.9M53G49-M53 PolarHBondContact O-N 2.79Å; G49-M53 VanDerWaalsContact O-N 3.07Å
50R65.2Low70.4Confident230 Ų23097.5 Ų97.587%0.86851%0.506SS*.Hα-helixtrans-80.4-37.9-164.3-154.6167.175.9165.23.8113.6R48 G54R48-R50 PolarHBondContact O-N 3.47Å; R50-G54 PolarHBondContact O-N 2.93Å; R50-G54 VanDerWaalsContact O-N 3.12Å
51E65.6Low70.9Confident149 Ų14997.1 Ų97.170%0.69651%0.508SS*.Hα-helixtrans-72.8-32.1172.4-82.1-179.289.200112.2G54 G55E51-G54 PolarHBondContact O-N 3.42Å; E51-G55 PolarHBondContact O-N 3.27Å
52L66.4Low71.8Confident42 Ų42100.4 Ų100.422%0.2252%0.516CS..Hα-helixtrans-64.3-51.2175.4-172.9141.5000110.8C42 M47 G54 G55 V56C42-L52 HydrophobicContact CB-CB 4.36Å; C42-L52 HydrophobicContact CB-CD1 3.37Å; C42-L52 HydrophobicContact CB-CD2 4.4Å; C42-L52 HydrophobicContact CB-CG 3.4Å; C42-L52 VanDerWaalsContact CB-CG 3.4Å; M47-L52 HydrophobicContact CB-CB 4.25Å; M47-L52 WeakPolarHBondContact O-CD1 3.13Å; L52-G54 VanDerWaalsContact C-N 3.32Å; L52-G54 PolarHBondContact O-N 2.69Å; L52-G55 PolarHBondContact O-N 2.89Å; L52-V56 HydrophobicContact CD2-CG2 4.26Å; L52-V56 HydrophobicContact CG-CG2 4.42Å; L52-V56 VanDerWaalsContact O-CB 3.29Å; L52-V56 WeakPolarHBondContact O-CB 3.38Å; L52-V56 WeakPolarHBondContact O-CG2 3.42Å; L52-V56 PolarHBondContact O-N 2.94Å
53M69.3Low72.7Confident149 Ų149100.8 Ų100.873%0.73452%0.518SS*.Hα-helixtrans-66.7-34.2179.1-166.8173.7-90.400112.1G49 G57G49-M53 PolarHBondContact O-N 2.79Å; G49-M53 VanDerWaalsContact O-N 3.07Å; M53-G57 WeakPolarHBondContact O-CA 3.21Å; M53-G57 PolarHBondContact O-N 3.35Å
54G74.6Confident73.7Confident38 Ų3894.7 Ų94.739%0.39249%0.487SS..Hα-helixtrans-70.9-38.1174.900000114.1R50 E51 L52 K58R50-G54 PolarHBondContact O-N 2.93Å; R50-G54 VanDerWaalsContact O-N 3.12Å; E51-G54 PolarHBondContact O-N 3.42Å; L52-G54 VanDerWaalsContact C-N 3.32Å; L52-G54 PolarHBondContact O-N 2.69Å; G54-K58 WeakPolarHBondContact O-CB 3.48Å; G54-K58 PolarHBondContact O-N 3.33Å; G54-K58 VanDerWaalsContact O-N 3.12Å
55G75.9Confident74.7Confident24 Ų2485.1 Ų85.125%0.24746%0.458CS..Hα-helixtrans-71.8-48.9175.800000112.1E51 L52 G57 K58 T59E51-G55 PolarHBondContact O-N 3.27Å; L52-G55 PolarHBondContact O-N 2.89Å; G55-G57 VanDerWaalsContact C-N 3.35Å; G55-G57 PolarHBondContact O-N 3.48Å; G55-K58 PolarHBondContact O-N 3.46Å; G55-T59 PolarHBondContact O-N 2.94Å; G55-T59 PolarHBondContact O-OG1 2.83Å; G55-T59 VanDerWaalsContact O-OG1 3.06Å
56V76.8Confident75.8Confident8 Ų883.5 Ų83.55%0.04845%0.449CS..Hα-helixtrans-61.5-43.2175.21760000110.8C42 L52 K58 T59 M60C42-V56 HydrophobicContact CB-CG2 4.09Å; C42-V56 WeakPolarHBondContact SG-CG2 3.41Å; L52-V56 HydrophobicContact CD2-CG2 4.26Å; L52-V56 HydrophobicContact CG-CG2 4.42Å; L52-V56 VanDerWaalsContact O-CB 3.29Å; L52-V56 WeakPolarHBondContact O-CB 3.38Å; L52-V56 WeakPolarHBondContact O-CG2 3.42Å; L52-V56 PolarHBondContact O-N 2.94Å; V56-K58 PolarHBondContact O-N 2.83Å; V56-T59 PolarHBondContact O-N 2.92Å; V56-M60 HydrophobicContact CG1-CE 3.38Å; V56-M60 HydrophobicContact CG1-CG 4.06Å; V56-M60 HydrophobicContact CG1-SD 4.17Å; V56-M60 VanDerWaalsContact O-CB 3.28Å; V56-M60 WeakPolarHBondContact O-CB 3.28Å; V56-M60 VanDerWaalsContact O-CG 3.31Å; V56-M60 WeakPolarHBondContact O-CG 3.37Å; V56-M60 PolarHBondContact O-N 2.97Å
57G80.3Confident77Confident34 Ų3486 Ų8635%0.35144%0.443SS..Hα-helixtrans-60.8-42.5176.800000112.8M53 G55 M61M53-G57 WeakPolarHBondContact O-CA 3.21Å; M53-G57 PolarHBondContact O-N 3.35Å; G55-G57 VanDerWaalsContact C-N 3.35Å; G55-G57 PolarHBondContact O-N 3.48Å; G57-M61 VanDerWaalsContact O-CB 3.31Å; G57-M61 WeakPolarHBondContact O-CB 3.32Å; G57-M61 PolarHBondContact O-N 2.79Å
58K81.4Confident78.5Confident155 Ų15583 Ų8367%0.67443%0.428SS*.Hα-helixtrans-62.2-47.2173.2-97.8-175.2-76.9-177.80112G54 G55 V56 M61 Q62G54-K58 WeakPolarHBondContact O-CB 3.48Å; G54-K58 PolarHBondContact O-N 3.33Å; G54-K58 VanDerWaalsContact O-N 3.12Å; G55-K58 PolarHBondContact O-N 3.46Å; V56-K58 PolarHBondContact O-N 2.83Å; K58-M61 PolarHBondContact O-N 3.38Å; K58-Q62 VanDerWaalsContact O-CB 3.26Å; K58-Q62 WeakPolarHBondContact O-CB 3.14Å; K58-Q62 PolarHBondContact O-N 3.27Å
59T83Confident79.9Confident62 Ų6274.9 Ų74.938%0.3841%0.405SS..Hα-helixtrans-63.4-43.7179-57.20000111.5G55 V56 Q62 S63G55-T59 PolarHBondContact O-N 2.94Å; G55-T59 PolarHBondContact O-OG1 2.83Å; G55-T59 VanDerWaalsContact O-OG1 3.06Å; V56-T59 PolarHBondContact O-N 2.92Å; T59-Q62 PolarHBondContact O-N 3.03Å; T59-S63 WeakPolarHBondContact O-CB 3.3Å; T59-S63 PolarHBondContact O-N 2.84Å; T59-S63 PolarHBondContact O-OG 3.08Å
60M84Confident81.1Confident50 Ų5079.7 Ų79.725%0.24641%0.41CS..Hα-helixtrans-61.3-44175.7-80.8-173.5-165.800111.9M31 A35 V56 S63 G64M31-M60 HydrophobicContact SD-CB 3.78Å; A35-M60 HydrophobicContact CB-CE 3.16Å; A35-M60 HydrophobicContact CB-CG 4.16Å; A35-M60 HydrophobicContact CB-SD 4.12Å; V56-M60 HydrophobicContact CG1-CE 3.38Å; V56-M60 HydrophobicContact CG1-CG 4.06Å; V56-M60 HydrophobicContact CG1-SD 4.17Å; V56-M60 VanDerWaalsContact O-CB 3.28Å; V56-M60 WeakPolarHBondContact O-CB 3.28Å; V56-M60 VanDerWaalsContact O-CG 3.31Å; V56-M60 WeakPolarHBondContact O-CG 3.37Å; V56-M60 PolarHBondContact O-N 2.97Å; M60-S63 WeakPolarHBondContact CA-OG 3.17Å; M60-S63 PolarHBondContact O-OG 3.49Å; M60-G64 WeakPolarHBondContact O-CA 3.41Å; M60-G64 PolarHBondContact O-N 2.88Å
61M85.6Confident82Confident146 Ų14673.8 Ų73.872%0.71939%0.394SS*.Hα-helixtrans-69.2-38179.9-169.3176-178.100111.4G57 K58 G65G57-M61 VanDerWaalsContact O-CB 3.31Å; G57-M61 WeakPolarHBondContact O-CB 3.32Å; G57-M61 PolarHBondContact O-N 2.79Å; K58-M61 PolarHBondContact O-N 3.38Å; M61-G65 PolarHBondContact O-N 2.87Å
62Q86.9Confident83Confident141 Ų14167.4 Ų67.466%0.65937%0.366SS*.Hα-helixtrans-69.1-43.9176.8-174.6175.62.900112.2K58 T59 T66K58-Q62 VanDerWaalsContact O-CB 3.26Å; K58-Q62 WeakPolarHBondContact O-CB 3.14Å; K58-Q62 PolarHBondContact O-N 3.27Å; T59-Q62 PolarHBondContact O-N 3.03Å; Q62-T66 PolarHBondContact O-N 2.87Å; Q62-T66 PolarHBondContact O-OG1 3.46Å
63S86.1Confident83.9Confident16 Ų1669.8 Ų69.811%0.11238%0.377CS..Hα-helixtrans-70.7-45.4176.463.30000111.3G30 G34 T59 M60 G65 T66 F67G30-S63 WeakPolarHBondContact O-CB 3.14Å; G30-S63 PolarHBondContact O-OG 3.35Å; G34-S63 WeakPolarHBondContact CA-OG 3.44Å; T59-S63 WeakPolarHBondContact O-CB 3.3Å; T59-S63 PolarHBondContact O-N 2.84Å; T59-S63 PolarHBondContact O-OG 3.08Å; M60-S63 WeakPolarHBondContact CA-OG 3.17Å; M60-S63 PolarHBondContact O-OG 3.49Å; S63-G65 VanDerWaalsContact C-N 3.33Å; S63-G65 PolarHBondContact O-N 3.38Å; S63-T66 PolarHBondContact O-N 2.91Å; S63-T66 PolarHBondContact O-OG1 2.93Å; S63-T66 VanDerWaalsContact O-OG1 3.07Å; S63-F67 WeakPolarHBondContact O-CB 3.42Å; S63-F67 WeakPolarHBondContact O-CD2 3.3Å; S63-F67 PolarHBondContact O-N 3.37Å
64G88.4Confident84.6Confident0 Ų064 Ų640%036%0.357CS..Hα-helixtrans-57.7-44.4176.100000112.3F27 M60 G68F27-G64 VanDerWaalsContact CD2-C 3.4Å; F27-G64 WeakPolarHBondContact CD2-O 3.39Å; M60-G64 WeakPolarHBondContact O-CA 3.41Å; M60-G64 PolarHBondContact O-N 2.88Å; G64-G68 PolarHBondContact O-N 3.34Å
65G89.1Confident84.8Confident24 Ų2464.9 Ų64.925%0.24735%0.351CS..Hα-helixtrans-58.8-55.7175.300000111.9M61 S63 G68 T69M61-G65 PolarHBondContact O-N 2.87Å; S63-G65 VanDerWaalsContact C-N 3.33Å; S63-G65 PolarHBondContact O-N 3.38Å; G65-G68 PolarHBondContact O-N 2.93Å; G65-T69 WeakPolarHBondContact O-CB 3.44Å; G65-T69 PolarHBondContact O-N 3.34Å; G65-T69 PolarHBondContact O-OG1 2.04Å
66T88.9Confident85Confident72 Ų7265 Ų6544%0.44235%0.352SS..Hα-helixtrans-63.6-49.2-177.645.60000113.2Q62 S63 G68 T69 F70Q62-T66 PolarHBondContact O-N 2.87Å; Q62-T66 PolarHBondContact O-OG1 3.46Å; S63-T66 PolarHBondContact O-N 2.91Å; S63-T66 PolarHBondContact O-OG1 2.93Å; S63-T66 VanDerWaalsContact O-OG1 3.07Å; T66-G68 PolarHBondContact O-N 3.41Å; T66-T69 PolarHBondContact O-N 3.21Å; T66-F70 WeakPolarHBondContact O-CD2 3.36Å; T66-F70 PolarHBondContact O-N 3.37Å
67F87.9Confident85.3Confident110 Ų11070.7 Ų70.748%0.48238%0.381SS..Hα-helixtrans-64.7-38.4178.7-79.2-71.2000112.4G26 S63 M71G26-F67 WeakPolarHBondContact O-CB 3.47Å; S63-F67 WeakPolarHBondContact O-CB 3.42Å; S63-F67 WeakPolarHBondContact O-CD2 3.3Å; S63-F67 PolarHBondContact O-N 3.37Å; F67-M71 WeakPolarHBondContact O-CB 3.48Å; F67-M71 PolarHBondContact O-N 3.47Å; F67-M71 VanDerWaalsContact O-N 3.08Å
68G89.2Confident84.7Confident0 Ų078.3 Ų78.30%040%0.399CS..Hα-helixtrans-61.4-48.2172.200000112.1F23 G64 G65 T66 S72F23-G68 VanDerWaalsContact CD2-C 3.45Å; F23-G68 WeakPolarHBondContact CD2-O 3.17Å; G64-G68 PolarHBondContact O-N 3.34Å; G65-G68 PolarHBondContact O-N 2.93Å; T66-G68 PolarHBondContact O-N 3.41Å; G68-S72 WeakPolarHBondContact O-CB 3.36Å; G68-S72 PolarHBondContact O-N 2.89Å; G68-S72 PolarHBondContact O-OG 3.31Å
69T89.1Confident83.9Confident65 Ų6575.3 Ų75.340%0.39940%0.396SS..Hα-helixtrans-64.9-44.5179.7-49.30000111.7G65 T66 S72 I73G65-T69 WeakPolarHBondContact O-CB 3.44Å; G65-T69 PolarHBondContact O-N 3.34Å; G65-T69 PolarHBondContact O-OG1 2.04Å; T66-T69 PolarHBondContact O-N 3.21Å; T69-S72 WeakPolarHBondContact CA-OG 3.36Å; T69-S72 PolarHBondContact O-N 2.96Å; T69-S72 PolarHBondContact O-OG 3.15Å; T69-I73 HydrophobicContact CG2-CD1 3.87Å; T69-I73 HydrophobicContact CG2-CG1 4.49Å; T69-I73 VanDerWaalsContact O-CG1 3.28Å; T69-I73 WeakPolarHBondContact O-CG1 3.25Å; T69-I73 PolarHBondContact O-N 2.86Å
70F88.4Confident83.9Confident158 Ų15876 Ų7669%0.69340%0.397SS*.Hα-helixtrans-61.4-46.4177.2-92.5-74.2000113T66 S72 I73 G74T66-F70 WeakPolarHBondContact O-CD2 3.36Å; T66-F70 PolarHBondContact O-N 3.37Å; F70-S72 VanDerWaalsContact C-N 3.34Å; F70-I73 PolarHBondContact O-N 3.36Å; F70-G74 PolarHBondContact O-N 3.38Å
71M84.7Confident83.9Confident107 Ų10777.3 Ų77.353%0.52741%0.405SS..Hα-helixtrans-65.6-37.1175.9-90.2-89.513100112G22 F67 G74 M75G22-M71 WeakPolarHBondContact O-CB 3.46Å; F67-M71 WeakPolarHBondContact O-CB 3.48Å; F67-M71 PolarHBondContact O-N 3.47Å; F67-M71 VanDerWaalsContact O-N 3.08Å; M71-G74 PolarHBondContact O-N 3.36Å; M71-M75 WeakPolarHBondContact O-CB 3.49Å; M71-M75 WeakPolarHBondContact O-CG 3.23Å; M71-M75 PolarHBondContact O-N 3.33Å
72S86.1Confident83.8Confident15 Ų1573.5 Ų73.511%0.10539%0.388CS..Hα-helixtrans-64.9-40.1176.777.60000112.4G68 T69 F70 M75 G76G68-S72 WeakPolarHBondContact O-CB 3.36Å; G68-S72 PolarHBondContact O-N 2.89Å; G68-S72 PolarHBondContact O-OG 3.31Å; T69-S72 WeakPolarHBondContact CA-OG 3.36Å; T69-S72 PolarHBondContact O-N 2.96Å; T69-S72 PolarHBondContact O-OG 3.15Å; F70-S72 VanDerWaalsContact C-N 3.34Å; S72-M75 PolarHBondContact O-N 2.98Å; S72-G76 PolarHBondContact O-N 2.89Å
73I87.2Confident83.6Confident91 Ų9169.5 Ų69.547%0.46737%0.372SS..Hα-helixtrans-68.4-45.3174.9-67.7163.9000109.5T69 F70 M75 G76 I77T69-I73 HydrophobicContact CG2-CD1 3.87Å; T69-I73 HydrophobicContact CG2-CG1 4.49Å; T69-I73 VanDerWaalsContact O-CG1 3.28Å; T69-I73 WeakPolarHBondContact O-CG1 3.25Å; T69-I73 PolarHBondContact O-N 2.86Å; F70-I73 PolarHBondContact O-N 3.36Å; I73-M75 VanDerWaalsContact C-N 3.25Å; I73-M75 PolarHBondContact O-N 2.91Å; I73-G76 PolarHBondContact O-N 3.5Å; I73-I77 HydrophobicContact CG2-CD1 3.52Å; I73-I77 HydrophobicContact CG2-CG1 4.1Å; I73-I77 WeakPolarHBondContact O-CD1 3.01Å; I73-I77 WeakPolarHBondContact O-CG1 3.48Å; I73-I77 PolarHBondContact O-N 2.69Å
74G83.6Confident83.5Confident29 Ų2972.9 Ų72.930%0.29939%0.388SS..Hα-helixtrans-59.4-34.2176.800000113.7F70 M71 R78F70-G74 PolarHBondContact O-N 3.38Å; M71-G74 PolarHBondContact O-N 3.36Å; G74-R78 WeakPolarHBondContact O-CB 2.78Å; G74-R78 WeakPolarHBondContact O-CG 3.25Å; G74-R78 PolarHBondContact O-N 3.35Å
75M78.9Confident83.1Confident56 Ų5677.7 Ų77.728%0.27641%0.414SS..Hα-helixtrans-76.7-34.9171.7-71.3-6899.900112.7M71 S72 I73 R78 C79M71-M75 WeakPolarHBondContact O-CB 3.49Å; M71-M75 WeakPolarHBondContact O-CG 3.23Å; M71-M75 PolarHBondContact O-N 3.33Å; S72-M75 PolarHBondContact O-N 2.98Å; I73-M75 VanDerWaalsContact C-N 3.25Å; I73-M75 PolarHBondContact O-N 2.91Å; M75-R78 CarbonylContact O-C 3.35Å; M75-R78 PolarHBondContact O-N 2.98Å; M75-C79 PolarHBondContact O-N 2.98Å; M75-C79 PolarHBondContact O-SG 3.13Å; M75-C79 VanDerWaalsContact O-SG 3.38Å
76G79.8Confident82.7Confident25 Ų2581.6 Ų81.626%0.25843%0.426SS..Hα-helixtrans-68.3-34176.400000113.8S72 I73 R78S72-G76 PolarHBondContact O-N 2.89Å; I73-G76 PolarHBondContact O-N 3.5Å; G76-R78 VanDerWaalsContact C-N 3.29Å
77I82.1Confident82.2Confident129 Ų12982.3 Ų82.366%0.66242%0.424SS*.THydrogen-bonded Turntrans-78.3-18.2173.2-48.6153.8000111.3I73I73-I77 HydrophobicContact CG2-CD1 3.52Å; I73-I77 HydrophobicContact CG2-CG1 4.1Å; I73-I77 WeakPolarHBondContact O-CD1 3.01Å; I73-I77 WeakPolarHBondContact O-CG1 3.48Å; I73-I77 PolarHBondContact O-N 2.69Å
78R68.2Low81.8Confident193 Ų19380 Ų8073%0.72842%0.42SS*.THydrogen-bonded Turntrans-103.36.6176.6-78.6-157.1172.9129.4-1.6114.1G74 M75 G76G74-R78 WeakPolarHBondContact O-CB 2.78Å; G74-R78 WeakPolarHBondContact O-CG 3.25Å; G74-R78 PolarHBondContact O-N 3.35Å; M75-R78 CarbonylContact O-C 3.35Å; M75-R78 PolarHBondContact O-N 2.98Å; G76-R78 VanDerWaalsContact C-N 3.29Å
79C64.1Low81.1Confident92 Ų9287.3 Ų87.362%0.62246%0.458SS*.  trans-72.40143.2-51.60000107.7C15 M75C15-C79 WeakPolarHBondContact CA-SG 3.18Å; C15-C79 HydrophobicContact CB-CB 3.58Å; C15-C79 WeakPolarHBondContact CB-SG 2.97Å; C15-C79 PolarHBondContact O-SG 3.4Å; C15-C79 WeakPolarHBondContact SG-CB 3.34Å; C15-C79 CovalentContact SG-SG 2.04Å; C15-C79 PolarHBondContact SG-SG 3.21Å; M75-C79 PolarHBondContact O-N 2.98Å; M75-C79 PolarHBondContact O-SG 3.13Å; M75-C79 VanDerWaalsContact O-SG 3.38Å

Retrieved 79 of 79 residues in 309 ms (Link to these results)