A0A096M2M2_POEFO Loading...

Syntaxin 16

AlphaFold DB , UniProt , Accession A0A096M2M2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 208 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
1M39.1Very low44.6Very low248 Ų248132.7 Ų132.7100%1.22281%0.805SS**  0126.10-72.6-174.5178.900107.6
2A44.1Very low44.9Very low89 Ų89135.3 Ų135.374%0.73680%0.802SS**  trans-76.8143.2178.500000110.5
3L44.9Very low45Very low181 Ų181130.8 Ų130.895%0.94879%0.789SS**  trans-131.585.9156.1-68.6177.9000108.3
4V43.6Very low44.8Very low130 Ų130127.7 Ų127.779%0.78878%0.784SS**  trans-72128.1153.3159.10000107.2
5S46.3Very low44.9Very low122 Ų122128 Ų12885%0.85378%0.777SS**  trans177.6125.5155.1-72.60000107.6
6G40.3Very low44.8Very low70 Ų70123.5 Ų123.572%0.72277%0.765SS**  cis-167.6119-2.100000106.1S8G6-S8 PolarHBondContact O-N 2.79Å
7I48Very low44.9Very low154 Ų154122.3 Ų122.379%0.7976%0.756SS**  trans-76.4104.4164.1-51.8167.4000103.3L9I7-L9 HydrophobicContact CG2-CD1 4.35Å; I7-L9 HydrophobicContact CG2-CG 4.16Å; I7-L9 PolarHBondContact O-N 3.21Å
8S42.1Very low45.2Very low119 Ų119121.5 Ų121.583%0.83275%0.751SS**  trans-65.183.6167.8-1780000107.4G6 D10G6-S8 PolarHBondContact O-N 2.79Å; S8-D10 PolarHBondContact O-N 3.04Å
9L46.3Very low45.5Very low145 Ų145125.2 Ų125.276%0.75976%0.755SS**  trans-7290.3164.1-87.4145.1000106I7 P11I7-L9 HydrophobicContact CG2-CD1 4.35Å; I7-L9 HydrophobicContact CG2-CG 4.16Å; I7-L9 PolarHBondContact O-N 3.21Å; L9-P11 VanDerWaalsContact O-CD 3.25Å; L9-P11 WeakPolarHBondContact O-CD 3.25Å
10D46.2Very low46.4Very low90 Ų90128 Ų12848%0.48176%0.757SS.*  trans-56.1112.6159.5-176.3-2.6000108S8 E12 A13S8-D10 PolarHBondContact O-N 3.04Å; D10-E12 PolarHBondContact O-N 3.49Å; D10-E12 WeakPolarHBondContact OD1-CB 3.34Å; D10-E12 PolarHBondContact OD1-N 3.03Å; D10-A13 PolarHBondContact O-N 3.45Å
11P50Low47.5Very low112 Ų112129.2 Ų129.273%0.72776%0.759SS**THydrogen-bonded Turntrans-70-7.6-179.929.3-32.5000112.4L9L9-P11 VanDerWaalsContact O-CD 3.25Å; L9-P11 WeakPolarHBondContact O-CD 3.25Å
12E47.8Very low49.1Very low164 Ų164121.6 Ų121.677%0.76673%0.728SS**THydrogen-bonded Turntrans-87.1-18.3-179.5-153.9173.8160.200113.1D10 A14D10-E12 PolarHBondContact O-N 3.49Å; D10-E12 WeakPolarHBondContact OD1-CB 3.34Å; D10-E12 PolarHBondContact OD1-N 3.03Å; E12-A14 VanDerWaalsContact C-N 3.34Å; E12-A14 PolarHBondContact O-N 3.2Å
13A46.1Very low50.8Low77 Ų77119.1 Ų119.164%0.63671%0.705SS**THydrogen-bonded Turntrans-82.2-8177.400000114.1D10D10-A13 PolarHBondContact O-N 3.45Å
14A42.1Very low52.5Low87 Ų87119 Ų11972%0.71970%0.696SS**THydrogen-bonded Turntrans-86-8.4-179.200000113.8E12 G16E12-A14 VanDerWaalsContact C-N 3.34Å; E12-A14 PolarHBondContact O-N 3.2Å; A14-G16 PolarHBondContact O-N 2.75Å
15I47.4Very low54.5Low132 Ų132113.9 Ų113.968%0.67766%0.663SS**  trans-85.959163.4-43.3178.4000107.4V17I15-V17 HydrophobicContact CG2-CG2 3.82Å; I15-V17 PolarHBondContact O-N 3.04Å
16G43.1Very low56.6Low56 Ų56110.5 Ų110.558%0.57764%0.635SS**  trans-60.287.5151.800000105.9A14 T18A14-G16 PolarHBondContact O-N 2.75Å; G16-T18 PolarHBondContact O-N 2.66Å
17V46.8Very low59Low103 Ų103114.6 Ų114.662%0.62464%0.635SS**  trans-5687.1160.2178.40000103.8I15 K19I15-V17 HydrophobicContact CG2-CG2 3.82Å; I15-V17 PolarHBondContact O-N 3.04Å; V17-K19 HydrophobicContact CG1-CG 4.04Å; V17-K19 PolarHBondContact O-N 2.76Å
18T49.3Very low61.1Low108 Ų108108 Ų10866%0.66361%0.605SS**  trans-56.899.3160.156.50000102.2G16 K20G16-T18 PolarHBondContact O-N 2.66Å; T18-K20 PolarHBondContact O-N 2.67Å
19K51.5Low63.5Low191 Ų191103.4 Ų103.483%0.8357%0.572SS**  trans-66.374.6172.4-69.3-176.1179.9-179.40104.9V17 L21V17-K19 HydrophobicContact CG1-CG 4.04Å; V17-K19 PolarHBondContact O-N 2.76Å; K19-L21 PolarHBondContact O-N 3.12Å; K19-L21 VanDerWaalsContact O-N 3.12Å
20K63.8Low65.8Low182 Ų182101.2 Ų101.279%0.79156%0.561SS**PPolyproline II helixtrans-59.5118.2170.2-77.1-172.6177.1-177.20104.1T18T18-K20 PolarHBondContact O-N 2.67Å
21L68.6Low68.1Low154 Ų154101 Ų10181%0.80656%0.557SS**PPolyproline II helixtrans-51.3137.3176.2-72162.7000107.8K19K19-L21 PolarHBondContact O-N 3.12Å; K19-L21 VanDerWaalsContact O-N 3.12Å
22P73.3Confident70.1Confident88 Ų8895.6 Ų95.657%0.57152%0.523SS*.PPolyproline II helixtrans-51.6137.8177.119.8-30.3000109.1K24 I26P22-K24 PolarHBondContact O-N 3.33Å; P22-I26 HydrophobicContact CB-CD1 3.64Å
23P79.4Confident72.4Confident36 Ų3691.9 Ų91.923%0.23451%0.505CS..PPolyproline II helixtrans-47134.8175.9-28.527.4000112W25 I26P23-W25 HydrophobicContact CB-CD2 4.03Å; P23-W25 HydrophobicContact CB-CG 4.07Å; P23-W25 HydrophobicContact CB-CZ2 4.05Å; P23-W25 HydrophobicContact CG-CZ2 4.14Å; P23-W25 PolarHBondContact O-N 2.93Å; P23-I26 HydrophobicContact CB-CD1 4.26Å; P23-I26 HydrophobicContact CB-CG1 4.33Å; P23-I26 VanDerWaalsContact CD-CD1 3.5Å; P23-I26 HydrophobicContact CG-CD1 4.1Å; P23-I26 WeakPolarHBondContact O-CB 3.41Å; P23-I26 WeakPolarHBondContact O-CG1 3.34Å; P23-I26 PolarHBondContact O-N 3.38Å
24K79.9Confident74.8Confident178 Ų17895 Ų9577%0.77450%0.501SS*.THydrogen-bonded Turntrans-60.3-11.2-176-63.7-175.5178-179.10114.6P22 R93P22-K24 PolarHBondContact O-N 3.33Å; K24-R93 PolarHBondContact O-NH1 2.73Å
25W87.3Confident77.2Confident23 Ų2391 Ų919%0.08747%0.468CS..THydrogen-bonded Turntrans-84.1-14.6176.558.3-110000112.8P23 E27 G28 V29 L90 L104 L105 V108P23-W25 HydrophobicContact CB-CD2 4.03Å; P23-W25 HydrophobicContact CB-CG 4.07Å; P23-W25 HydrophobicContact CB-CZ2 4.05Å; P23-W25 HydrophobicContact CG-CZ2 4.14Å; P23-W25 PolarHBondContact O-N 2.93Å; W25-E27 PolarHBondContact O-N 3.2Å; W25-G28 PolarHBondContact O-N 2.9Å; W25-G28 VanDerWaalsContact O-N 3.13Å; W25-V29 HydrophobicContact CE3-CG2 3.63Å; W25-V29 HydrophobicContact CZ3-CG2 3.84Å; W25-V29 PolarHBondContact O-N 2.89Å; W25-V29 VanDerWaalsContact O-N 3.14Å; W25-L90 HydrophobicContact CB-CD1 3.68Å; W25-L90 WeakPolarHBondContact O-CD1 3.48Å; W25-L104 HydrophobicContact CZ2-CB 4.37Å; W25-L105 HydrophobicContact CB-CD1 4.07Å; W25-L105 HydrophobicContact CD2-CD1 3.75Å; W25-L105 HydrophobicContact CE3-CD1 3.99Å; W25-L105 HydrophobicContact CG-CD1 3.8Å; W25-V108 HydrophobicContact CH2-CG2 4.16Å; W25-V108 HydrophobicContact CZ3-CB 4.49Å; W25-V108 HydrophobicContact CZ3-CG1 4.38Å; W25-V108 HydrophobicContact CZ3-CG2 4.14Å
26I90.3Very high79.3Confident52 Ų5284.8 Ų84.827%0.26744%0.436SS..Hα-helixtrans-61.6-41.8179.9-71.1173.6000111.4P22 P23 G28 V29 D30P22-I26 HydrophobicContact CB-CD1 3.64Å; P23-I26 HydrophobicContact CB-CD1 4.26Å; P23-I26 HydrophobicContact CB-CG1 4.33Å; P23-I26 VanDerWaalsContact CD-CD1 3.5Å; P23-I26 HydrophobicContact CG-CD1 4.1Å; P23-I26 WeakPolarHBondContact O-CB 3.41Å; P23-I26 WeakPolarHBondContact O-CG1 3.34Å; P23-I26 PolarHBondContact O-N 3.38Å; I26-G28 PolarHBondContact O-N 3.45Å; I26-V29 WeakPolarHBondContact O-CA 3.22Å; I26-V29 WeakPolarHBondContact O-CB 3.42Å; I26-V29 PolarHBondContact O-N 2.92Å; I26-D30 PolarHBondContact O-N 2.85Å
27E89.4Confident81.9Confident155 Ų15585 Ų8572%0.72443%0.426SS*.Hα-helixtrans-57.3-38176-64.7174.1-176.300112.2W25 V29 D30 E31W25-E27 PolarHBondContact O-N 3.2Å; E27-V29 VanDerWaalsContact C-N 3.35Å; E27-D30 PolarHBondContact O-N 3.23Å; E27-E31 PolarHBondContact O-N 3.23Å
28G91.8Very high84.4Confident16 Ų1684.8 Ų84.817%0.16541%0.414CS..Hα-helixtrans-70.3-31.4175.900000112.9W25 I26 I32W25-G28 PolarHBondContact O-N 2.9Å; W25-G28 VanDerWaalsContact O-N 3.13Å; I26-G28 PolarHBondContact O-N 3.45Å; G28-I32 VanDerWaalsContact O-CD1 3.27Å; G28-I32 WeakPolarHBondContact O-CD1 3.43Å; G28-I32 WeakPolarHBondContact O-CG1 3.42Å; G28-I32 PolarHBondContact O-N 3.32Å; G28-I32 VanDerWaalsContact O-N 3.14Å
29V93.3Very high86.3Confident22 Ų2279.6 Ų79.613%0.13338%0.383CS..Hα-helixtrans-67.7-44.9173.4173.20000110.4W25 I26 E27 E31 I32 Q33 L90 V108 L112W25-V29 HydrophobicContact CE3-CG2 3.63Å; W25-V29 HydrophobicContact CZ3-CG2 3.84Å; W25-V29 PolarHBondContact O-N 2.89Å; W25-V29 VanDerWaalsContact O-N 3.14Å; I26-V29 WeakPolarHBondContact O-CA 3.22Å; I26-V29 WeakPolarHBondContact O-CB 3.42Å; I26-V29 PolarHBondContact O-N 2.92Å; E27-V29 VanDerWaalsContact C-N 3.35Å; V29-E31 VanDerWaalsContact C-N 3.32Å; V29-E31 PolarHBondContact O-N 3.42Å; V29-I32 PolarHBondContact O-N 3.43Å; V29-Q33 WeakPolarHBondContact O-CB 3.43Å; V29-Q33 PolarHBondContact O-N 2.93Å; V29-L90 HydrophobicContact CG2-CD1 4.27Å; V29-L90 HydrophobicContact CG2-CD2 3.56Å; V29-V108 HydrophobicContact CB-CG1 4.4Å; V29-V108 HydrophobicContact CG1-CG1 3.9Å; V29-V108 HydrophobicContact CG2-CG1 3.53Å; V29-L112 HydrophobicContact CG1-CD1 4.33Å; V29-L112 HydrophobicContact CG2-CD1 4.37Å
30D94.6Very high88.5Confident100 Ų10074.2 Ų74.254%0.53536%0.36SS..Hα-helixtrans-61.8-40.8178.3-67.8-24.8000111.4I26 E27 Q33 Y34I26-D30 PolarHBondContact O-N 2.85Å; E27-D30 PolarHBondContact O-N 3.23Å; D30-Q33 PolarHBondContact O-N 3.44Å; D30-Y34 WeakPolarHBondContact O-CB 3.35Å; D30-Y34 PolarHBondContact O-N 2.96Å
31E94.3Very high90.1Very high84 Ų8469.6 Ų69.639%0.39334%0.341SS..Hα-helixtrans-60.9-47.5174.2-172.6-175.8176.300111.7E27 V29 Q33 Y34 D35 R82E27-E31 PolarHBondContact O-N 3.23Å; V29-E31 VanDerWaalsContact C-N 3.32Å; V29-E31 PolarHBondContact O-N 3.42Å; E31-Q33 VanDerWaalsContact C-N 3.34Å; E31-Q33 PolarHBondContact O-N 3.36Å; E31-Y34 WeakPolarHBondContact O-CB 3.33Å; E31-Y34 PolarHBondContact O-N 3.14Å; E31-D35 PolarHBondContact O-N 3.42Å; E31-R82 IonicContact OE1-CZ 3.79Å; E31-R82 IonicContact OE1-NE 3.24Å; E31-R82 IonicContact OE1-NH2 3.83Å; E31-R82 PolarHBondContact OE1-NH2 3.21Å
32I91.9Very high91.3Very high0 Ų065 Ų650%032%0.315CS..Hα-helixtrans-64.1-42.9179.4-64.8159.3000110.5G28 V29 Y34 D35 I36 V87 L90 L112G28-I32 VanDerWaalsContact O-CD1 3.27Å; G28-I32 WeakPolarHBondContact O-CD1 3.43Å; G28-I32 WeakPolarHBondContact O-CG1 3.42Å; G28-I32 PolarHBondContact O-N 3.32Å; G28-I32 VanDerWaalsContact O-N 3.14Å; V29-I32 PolarHBondContact O-N 3.43Å; I32-Y34 VanDerWaalsContact C-N 3.3Å; I32-Y34 PolarHBondContact O-N 3.37Å; I32-D35 PolarHBondContact O-N 2.84Å; I32-I36 HydrophobicContact CG2-CD1 4Å; I32-I36 HydrophobicContact CG2-CG1 4.43Å; I32-I36 WeakPolarHBondContact O-CG1 3.33Å; I32-I36 PolarHBondContact O-N 3.47Å; I32-V87 HydrophobicContact CD1-CG2 3.87Å; I32-V87 HydrophobicContact CG1-CG2 4.38Å; I32-V87 HydrophobicContact CG2-CG2 3.86Å; I32-L90 HydrophobicContact CD1-CB 4.25Å; I32-L90 HydrophobicContact CD1-CD2 3.87Å; I32-L112 HydrophobicContact CB-CD1 4.31Å; I32-L112 HydrophobicContact CD1-CD1 4.01Å; I32-L112 HydrophobicContact CG2-CB 4.41Å; I32-L112 HydrophobicContact CG2-CD1 4.09Å; I32-L112 HydrophobicContact CG2-CD2 4Å; I32-L112 HydrophobicContact CG2-CG 4.4Å
33Q96.1Very high92.2Very high86 Ų8661.7 Ų61.740%0.40229%0.292SS..Hα-helixtrans-63.4-39.8179-167.563.742.100110.9V29 D30 E31 I36 T37V29-Q33 WeakPolarHBondContact O-CB 3.43Å; V29-Q33 PolarHBondContact O-N 2.93Å; D30-Q33 PolarHBondContact O-N 3.44Å; E31-Q33 VanDerWaalsContact C-N 3.34Å; E31-Q33 PolarHBondContact O-N 3.36Å; Q33-I36 WeakPolarHBondContact O-CB 3.47Å; Q33-I36 PolarHBondContact O-N 2.82Å; Q33-T37 WeakPolarHBondContact O-CG2 3.35Å; Q33-T37 PolarHBondContact O-N 3.19Å
34Y96.5Very high93.1Very high141 Ų14166 Ų6655%0.55330%0.304SS*.Hα-helixtrans-61.1-48.7172.8177.1-108.1000111.7D30 E31 I32 I36 T37 R38D30-Y34 WeakPolarHBondContact O-CB 3.35Å; D30-Y34 PolarHBondContact O-N 2.96Å; E31-Y34 WeakPolarHBondContact O-CB 3.33Å; E31-Y34 PolarHBondContact O-N 3.14Å; I32-Y34 VanDerWaalsContact C-N 3.3Å; I32-Y34 PolarHBondContact O-N 3.37Å; Y34-I36 VanDerWaalsContact C-N 3.3Å; Y34-I36 PolarHBondContact O-N 3.05Å; Y34-T37 PolarHBondContact O-N 3.07Å; Y34-T37 VanDerWaalsContact O-N 3.12Å; Y34-T37 PolarHBondContact O-OG1 3.14Å; Y34-R38 HydrophobicContact CE1-CG 4.21Å; Y34-R38 HydrophobicContact CE2-CG 4.34Å; Y34-R38 PolarHBondContact O-N 3.13Å
35D92.5Very high93.8Very high3 Ų360 Ų602%0.01628%0.28CS..Hα-helixtrans-61.6-38.1177.3-78.1-27000112.2E31 I32 T37 R38 I39 R82 C83E31-D35 PolarHBondContact O-N 3.42Å; I32-D35 PolarHBondContact O-N 2.84Å; D35-T37 PolarHBondContact O-N 3.14Å; D35-R38 WeakPolarHBondContact O-CB 3.2Å; D35-R38 PolarHBondContact O-N 3.35Å; D35-R38 IonicContact OD1-NH1 3.51Å; D35-I39 WeakPolarHBondContact O-CG1 3.27Å; D35-I39 PolarHBondContact O-N 2.82Å; D35-R82 WeakPolarHBondContact OD2-CD 3.28Å; D35-R82 IonicContact OD2-CZ 2.69Å; D35-R82 IonicContact OD2-NE 3.92Å; D35-R82 PolarHBondContact OD2-NE 3.11Å; D35-C83 WeakPolarHBondContact CB-SG 3.44Å
36I92.4Very high93.9Very high2 Ų259 Ų591%0.0128%0.277CS..Hα-helixtrans-56.5-47.5172.4-76.8171.9000111I32 Q33 Y34 R38 I39 Q40 L112 L116 L119I32-I36 HydrophobicContact CG2-CD1 4Å; I32-I36 HydrophobicContact CG2-CG1 4.43Å; I32-I36 WeakPolarHBondContact O-CG1 3.33Å; I32-I36 PolarHBondContact O-N 3.47Å; Q33-I36 WeakPolarHBondContact O-CB 3.47Å; Q33-I36 PolarHBondContact O-N 2.82Å; Y34-I36 VanDerWaalsContact C-N 3.3Å; Y34-I36 PolarHBondContact O-N 3.05Å; I36-R38 VanDerWaalsContact C-N 3.28Å; I36-R38 PolarHBondContact O-N 3.07Å; I36-I39 PolarHBondContact O-N 3.16Å; I36-Q40 WeakPolarHBondContact O-CG 3.4Å; I36-Q40 PolarHBondContact O-N 3.18Å; I36-L112 HydrophobicContact CD1-CD2 3.98Å; I36-L116 HydrophobicContact CD1-CD2 4.29Å; I36-L116 HydrophobicContact CD1-CG 4.18Å; I36-L116 HydrophobicContact CG1-CD2 3.74Å; I36-L116 HydrophobicContact CG1-CG 4.19Å; I36-L119 HydrophobicContact CG2-CD1 3.84Å
37T97.8Very high94.1Very high61 Ų6158.6 Ų58.637%0.37428%0.281SS..Hα-helixtrans-64.1-35.3178.663.80000112.3Q33 Y34 D35 Q40 Q41Q33-T37 WeakPolarHBondContact O-CG2 3.35Å; Q33-T37 PolarHBondContact O-N 3.19Å; Y34-T37 PolarHBondContact O-N 3.07Å; Y34-T37 VanDerWaalsContact O-N 3.12Å; Y34-T37 PolarHBondContact O-OG1 3.14Å; D35-T37 PolarHBondContact O-N 3.14Å; T37-Q40 WeakPolarHBondContact O-CB 3.45Å; T37-Q40 PolarHBondContact O-N 3.28Å; T37-Q41 PolarHBondContact O-N 3.38Å
38R97.6Very high94.3Very high98 Ų9857 Ų5737%0.3728%0.277SS..Hα-helixtrans-68.9-39.1175.9-70-176.967-143.81.9112.2Y34 D35 I36 Q40 Q41 K42 M79Y34-R38 HydrophobicContact CE1-CG 4.21Å; Y34-R38 HydrophobicContact CE2-CG 4.34Å; Y34-R38 PolarHBondContact O-N 3.13Å; D35-R38 WeakPolarHBondContact O-CB 3.2Å; D35-R38 PolarHBondContact O-N 3.35Å; D35-R38 IonicContact OD1-NH1 3.51Å; I36-R38 VanDerWaalsContact C-N 3.28Å; I36-R38 PolarHBondContact O-N 3.07Å; R38-Q40 VanDerWaalsContact C-N 3.31Å; R38-Q40 PolarHBondContact O-N 3.43Å; R38-Q41 PolarHBondContact O-N 2.95Å; R38-K42 PolarHBondContact O-N 3.05Å; R38-M79 HydrophobicContact CB-CE 3.25Å; R38-M79 HydrophobicContact CG-CE 4.43Å
39I90.9Very high94.2Very high0 Ų058.1 Ų58.10%028%0.279CS..Hα-helixtrans-59.2-47.6174.3-71.8168000109.2D35 I36 Q41 K42 M43 I76 M79 F80 L116 L119D35-I39 WeakPolarHBondContact O-CG1 3.27Å; D35-I39 PolarHBondContact O-N 2.82Å; I36-I39 PolarHBondContact O-N 3.16Å; I39-Q41 VanDerWaalsContact C-N 3.31Å; I39-Q41 PolarHBondContact O-N 3.4Å; I39-K42 PolarHBondContact O-N 2.67Å; I39-M43 HydrophobicContact CG2-CG 4.29Å; I39-M43 HydrophobicContact CG2-SD 3.84Å; I39-M43 WeakPolarHBondContact O-CB 3.34Å; I39-M43 VanDerWaalsContact O-CG 3.27Å; I39-M43 WeakPolarHBondContact O-CG 3.4Å; I39-M43 PolarHBondContact O-N 3.05Å; I39-I76 HydrophobicContact CG2-CG2 4.48Å; I39-M79 HydrophobicContact CD1-CB 4Å; I39-M79 HydrophobicContact CG1-CB 3.62Å; I39-M79 HydrophobicContact CG1-CE 3.77Å; I39-M79 HydrophobicContact CG1-SD 4.28Å; I39-F80 HydrophobicContact CD1-CD1 3.97Å; I39-F80 HydrophobicContact CD1-CE1 4.17Å; I39-F80 HydrophobicContact CD1-CG 4.33Å; I39-F80 HydrophobicContact CG2-CE1 3.94Å; I39-F80 HydrophobicContact CG2-CE2 4.01Å; I39-F80 HydrophobicContact CG2-CZ 3.58Å; I39-L116 HydrophobicContact CD1-CD2 4.25Å; I39-L119 HydrophobicContact CG2-CD1 4.27Å
40Q96.7Very high94Very high77 Ų7757.6 Ų57.636%0.3628%0.275SS..Hα-helixtrans-58-42.5176.9-72.4175-13.200112.5I36 T37 R38 R44 L119I36-Q40 WeakPolarHBondContact O-CG 3.4Å; I36-Q40 PolarHBondContact O-N 3.18Å; T37-Q40 WeakPolarHBondContact O-CB 3.45Å; T37-Q40 PolarHBondContact O-N 3.28Å; R38-Q40 VanDerWaalsContact C-N 3.31Å; R38-Q40 PolarHBondContact O-N 3.43Å; Q40-R44 WeakPolarHBondContact O-CG 3.04Å; Q40-R44 PolarHBondContact O-N 3.33Å; Q40-R44 PolarHBondContact O-NH1 3.45Å; Q40-L119 HydrophobicContact CG-CD1 3.97Å; Q40-L119 HydrophobicContact CG-CD2 3.5Å; Q40-L119 HydrophobicContact CG-CG 4.4Å
41Q97.9Very high93.9Very high85 Ų8556.6 Ų56.640%0.39727%0.27SS..Hα-helixtrans-63.5-50.1176.2-177.5604800111.5T37 R38 I39 M43 R44 D45T37-Q41 PolarHBondContact O-N 3.38Å; R38-Q41 PolarHBondContact O-N 2.95Å; I39-Q41 VanDerWaalsContact C-N 3.31Å; I39-Q41 PolarHBondContact O-N 3.4Å; Q41-M43 VanDerWaalsContact C-N 3.27Å; Q41-M43 PolarHBondContact O-N 2.69Å; Q41-R44 WeakPolarHBondContact O-CA 3.37Å; Q41-R44 WeakPolarHBondContact O-CB 3.28Å; Q41-R44 PolarHBondContact O-N 3.39Å; Q41-D45 PolarHBondContact NE2-OD1 3.33Å; Q41-D45 VanDerWaalsContact O-CG 3.32Å; Q41-D45 PolarHBondContact O-N 3.18Å
42K93Very high93.7Very high58 Ų5858.4 Ų58.425%0.25228%0.276SS..Hα-helixtrans-61.1-36.1179-83.5-80.4170175.10112.7R38 I39 R44 D45 L46 T72 E75 I76 M79R38-K42 PolarHBondContact O-N 3.05Å; I39-K42 PolarHBondContact O-N 2.67Å; K42-R44 VanDerWaalsContact C-N 3.31Å; K42-R44 PolarHBondContact O-N 3.36Å; K42-D45 PolarHBondContact O-N 3.31Å; K42-L46 WeakPolarHBondContact O-CB 3.45Å; K42-L46 PolarHBondContact O-N 3.38Å; K42-T72 HydrophobicContact CD-CG2 4.09Å; K42-E75 VanDerWaalsContact CE-OE2 3.26Å; K42-E75 WeakPolarHBondContact CE-OE2 3.34Å; K42-E75 IonicContact NZ-OE2 3.62Å; K42-E75 PolarHBondContact NZ-OE2 3.12Å; K42-I76 HydrophobicContact CB-CD1 4Å; K42-I76 HydrophobicContact CB-CG1 3.6Å; K42-M79 HydrophobicContact CG-SD 4.46Å
43M93.1Very high93.4Very high19 Ų1959 Ų599%0.09428%0.279CS..Hα-helixtrans-63.4-35.4173.3-73.517861.500112.6I39 Q41 A47 I76 F80 L119 N122 F123I39-M43 HydrophobicContact CG2-CG 4.29Å; I39-M43 HydrophobicContact CG2-SD 3.84Å; I39-M43 WeakPolarHBondContact O-CB 3.34Å; I39-M43 VanDerWaalsContact O-CG 3.27Å; I39-M43 WeakPolarHBondContact O-CG 3.4Å; I39-M43 PolarHBondContact O-N 3.05Å; Q41-M43 VanDerWaalsContact C-N 3.27Å; Q41-M43 PolarHBondContact O-N 2.69Å; M43-A47 PolarHBondContact O-N 3.45Å; M43-A47 VanDerWaalsContact O-N 3.08Å; M43-I76 HydrophobicContact CG-CD1 4.12Å; M43-I76 HydrophobicContact CG-CG2 4.34Å; M43-F80 HydrophobicContact SD-CZ 4.38Å; M43-L119 HydrophobicContact SD-CD2 4.3Å; M43-N122 HydrophobicContact CE-CB 4.07Å; M43-N122 WeakPolarHBondContact CE-OD1 3.47Å; M43-F123 HydrophobicContact CE-CB 3.68Å; M43-F123 HydrophobicContact CE-CD2 4.46Å; M43-F123 HydrophobicContact CG-CD2 4.09Å; M43-F123 HydrophobicContact SD-CB 4.07Å
44R97.3Very high92.9Very high126 Ų12655.8 Ų55.848%0.47526%0.264SS..Hα-helixtrans-67.3-45.1172.1-70.3-174.8-70-90.48.2111.3Q40 Q41 K42 L46 A47 L48Q40-R44 WeakPolarHBondContact O-CG 3.04Å; Q40-R44 PolarHBondContact O-N 3.33Å; Q40-R44 PolarHBondContact O-NH1 3.45Å; Q41-R44 WeakPolarHBondContact O-CA 3.37Å; Q41-R44 WeakPolarHBondContact O-CB 3.28Å; Q41-R44 PolarHBondContact O-N 3.39Å; K42-R44 VanDerWaalsContact C-N 3.31Å; K42-R44 PolarHBondContact O-N 3.36Å; R44-L46 VanDerWaalsContact C-N 3.3Å; R44-L46 PolarHBondContact O-N 2.92Å; R44-A47 WeakPolarHBondContact O-CB 3.5Å; R44-A47 PolarHBondContact O-N 3.38Å; R44-A47 VanDerWaalsContact O-N 3.11Å; R44-L48 PolarHBondContact O-N 2.89Å
45D95.8Very high92.3Very high53 Ų5354.2 Ų54.228%0.28327%0.265SS..Hα-helixtrans-60.4-43.2178.5-56.4-20.9000110.9Q41 K42 A47 L48 L49Q41-D45 PolarHBondContact NE2-OD1 3.33Å; Q41-D45 VanDerWaalsContact O-CG 3.32Å; Q41-D45 PolarHBondContact O-N 3.18Å; K42-D45 PolarHBondContact O-N 3.31Å; D45-A47 VanDerWaalsContact C-N 3.33Å; D45-A47 PolarHBondContact O-N 3.25Å; D45-L48 WeakPolarHBondContact O-CB 3.46Å; D45-L48 PolarHBondContact O-N 3.48Å; D45-L49 PolarHBondContact O-N 2.94Å
46L89.9Confident91.5Very high1 Ų155.5 Ų55.51%0.00527%0.27CS..Hα-helixtrans-60-41.4173.9178.665.4000112.2K42 R44 L48 L49 H50 I69 T72 I76 F123 Q127K42-L46 WeakPolarHBondContact O-CB 3.45Å; K42-L46 PolarHBondContact O-N 3.38Å; R44-L46 VanDerWaalsContact C-N 3.3Å; R44-L46 PolarHBondContact O-N 2.92Å; L46-L48 VanDerWaalsContact C-N 3.29Å; L46-L48 PolarHBondContact O-N 2.96Å; L46-L49 PolarHBondContact O-N 3.21Å; L46-H50 WeakPolarHBondContact CD1-NE2 3.41Å; L46-H50 VanDerWaalsContact O-CG 3.26Å; L46-H50 PolarHBondContact O-N 3.35Å; L46-I69 HydrophobicContact CD1-CG2 4.09Å; L46-T72 HydrophobicContact CB-CG2 3.88Å; L46-T72 HydrophobicContact CD1-CG2 4.22Å; L46-I76 HydrophobicContact CB-CD1 4.1Å; L46-I76 HydrophobicContact CD2-CD1 3.73Å; L46-F123 HydrophobicContact CD2-CD2 4.18Å; L46-F123 HydrophobicContact CD2-CE2 3.53Å; L46-Q127 VanDerWaalsContact CD2-NE2 3.29Å
47A92.9Very high90.3Very high43 Ų4360.3 Ų60.336%0.35530%0.301SS..Hα-helixtrans-63.6-35.7176.600000112.2M43 R44 D45 H50 D51M43-A47 PolarHBondContact O-N 3.45Å; M43-A47 VanDerWaalsContact O-N 3.08Å; R44-A47 WeakPolarHBondContact O-CB 3.5Å; R44-A47 PolarHBondContact O-N 3.38Å; R44-A47 VanDerWaalsContact O-N 3.11Å; D45-A47 VanDerWaalsContact C-N 3.33Å; D45-A47 PolarHBondContact O-N 3.25Å; A47-H50 PolarHBondContact O-N 3.46Å; A47-D51 PolarHBondContact O-N 3.43Å
48L94.3Very high88.7Confident123 Ų12362.6 Ų62.664%0.64432%0.315SS*.Hα-helixtrans-67-42173.3-64.8173.7000111.7R44 D45 L46 H50 D51 K52R44-L48 PolarHBondContact O-N 2.89Å; D45-L48 WeakPolarHBondContact O-CB 3.46Å; D45-L48 PolarHBondContact O-N 3.48Å; L46-L48 VanDerWaalsContact C-N 3.29Å; L46-L48 PolarHBondContact O-N 2.96Å; L48-H50 VanDerWaalsContact C-N 3.34Å; L48-D51 PolarHBondContact O-N 3.16Å; L48-K52 WeakPolarHBondContact O-CB 3.36Å; L48-K52 PolarHBondContact O-N 3.01Å
49L90.4Very high86.7Confident39 Ų3966.2 Ų66.220%0.20434%0.341CS..Hα-helixtrans-61.6-43.1174.4-72172.1000111.6D45 L46 D51 K52 H53 A68 I69D45-L49 PolarHBondContact O-N 2.94Å; L46-L49 PolarHBondContact O-N 3.21Å; L49-D51 PolarHBondContact O-N 3.08Å; L49-K52 PolarHBondContact O-N 3.24Å; L49-H53 VanDerWaalsContact O-CB 3.32Å; L49-H53 WeakPolarHBondContact O-CB 3.35Å; L49-H53 PolarHBondContact O-N 2.96Å; L49-A68 HydrophobicContact CD1-CB 4.2Å; L49-A68 HydrophobicContact CD2-CB 4.23Å; L49-I69 HydrophobicContact CB-CD1 4.42Å; L49-I69 HydrophobicContact CB-CG1 3.73Å; L49-I69 HydrophobicContact CD1-CG1 4.47Å
50H88.9Confident85.1Confident10 Ų1071.3 Ų71.35%0.04637%0.368CS..Hα-helixtrans-57.4-48.1174.1-70.6169.6000111.7L46 A47 L48 H53 M54 Q127 Y130L46-H50 WeakPolarHBondContact CD1-NE2 3.41Å; L46-H50 VanDerWaalsContact O-CG 3.26Å; L46-H50 PolarHBondContact O-N 3.35Å; A47-H50 PolarHBondContact O-N 3.46Å; L48-H50 VanDerWaalsContact C-N 3.34Å; H50-H53 PolarHBondContact O-N 3.35Å; H50-M54 VanDerWaalsContact O-CG 3.28Å; H50-M54 WeakPolarHBondContact O-CG 3.38Å; H50-M54 PolarHBondContact O-N 2.95Å; H50-Q127 PolarHBondContact CE1-NE2 3.48Å; H50-Q127 PolarHBondContact NE2-NE2 2.87Å; H50-Y130 HydrophobicContact CB-CD2 3.52Å; H50-Y130 HydrophobicContact CB-CE2 3.85Å; H50-Y130 HydrophobicContact CB-CG 4.16Å; H50-Y130 AromaticContact CD2-CD1 3.69Å; H50-Y130 AromaticContact CD2-CD2 3.63Å; H50-Y130 AromaticContact CD2-CE1 3.77Å; H50-Y130 AromaticContact CD2-CE2 3.66Å; H50-Y130 AromaticContact CD2-CG 3.62Å; H50-Y130 AromaticContact CD2-CZ 3.75Å; H50-Y130 AromaticContact CE1-CD1 3.9Å; H50-Y130 AromaticContact CE1-CG 3.8Å; H50-Y130 AromaticContact CG-CD2 3.45Å; H50-Y130 VanDerWaalsContact CG-CD2 3.45Å; H50-Y130 AromaticContact CG-CE2 3.85Å; H50-Y130 AromaticContact CG-CG 3.6Å; H50-Y130 AromaticContact ND1-CG 3.72Å; H50-Y130 AromaticContact NE2-CD1 3.53Å; H50-Y130 AromaticContact NE2-CE1 3.85Å; H50-Y130 AromaticContact NE2-CG 3.76Å
51D91.8Very high83.2Confident80 Ų8074.5 Ų74.543%0.42839%0.388SS..Hα-helixtrans-66.2-43.9-179.5-169.261.3000112.1A47 L48 L49 H53 M54 N55A47-D51 PolarHBondContact O-N 3.43Å; L48-D51 PolarHBondContact O-N 3.16Å; L49-D51 PolarHBondContact O-N 3.08Å; D51-H53 VanDerWaalsContact C-N 3.32Å; D51-H53 PolarHBondContact O-N 3.24Å; D51-M54 PolarHBondContact O-N 2.95Å; D51-M54 VanDerWaalsContact O-N 3.12Å; D51-N55 PolarHBondContact O-N 3.42Å; D51-N55 PolarHBondContact O-ND2 2.85Å; D51-N55 VanDerWaalsContact O-ND2 3.13Å; D51-N55 PolarHBondContact OD1-ND2 3.31Å; D51-N55 PolarHBondContact OD2-ND2 3.24Å
52K89.5Confident81.6Confident121 Ų12172.3 Ų72.353%0.52638%0.382SS..Hα-helixtrans-55.4-48.2173.9-170.6-167.8-176.7-1560111L48 L49 M54 N55 E65L48-K52 WeakPolarHBondContact O-CB 3.36Å; L48-K52 PolarHBondContact O-N 3.01Å; L49-K52 PolarHBondContact O-N 3.24Å; K52-M54 VanDerWaalsContact C-N 3.32Å; K52-M54 PolarHBondContact O-N 3.45Å; K52-N55 PolarHBondContact O-N 3.28Å; K52-E65 HydrophobicContact CD-CG 4.1Å; K52-E65 WeakPolarHBondContact CE-OE1 3.47Å; K52-E65 IonicContact NZ-OE1 3.89Å; K52-E65 PolarHBondContact NZ-OE1 3.07Å
53H86.1Confident80.4Confident13 Ų1373.7 Ų73.76%0.0640%0.399CS..Hα-helixtrans-64.7-35.8178.9-174.3-129.1000112.1L49 H50 D51 E65 E66 I69 Y130L49-H53 VanDerWaalsContact O-CB 3.32Å; L49-H53 WeakPolarHBondContact O-CB 3.35Å; L49-H53 PolarHBondContact O-N 2.96Å; H50-H53 PolarHBondContact O-N 3.35Å; D51-H53 VanDerWaalsContact C-N 3.32Å; D51-H53 PolarHBondContact O-N 3.24Å; H53-E65 HydrophobicContact CB-CB 4.4Å; H53-E66 IonicContact NE2-OE1 2.69Å; H53-I69 HydrophobicContact CB-CD1 3.87Å; H53-Y130 PolarHBondContact CE1-OH 3.22Å; H53-Y130 AromaticContact ND1-CZ 3.82Å; H53-Y130 PolarHBondContact ND1-OH 3.15Å
54M85.3Confident79.8Confident19 Ų1980.2 Ų80.29%0.09443%0.429CS..Hα-helixtrans-71.8-36.5-179.8-74.4-47.782.500113.6H50 D51 K52 R56 Y130 R133 M134H50-M54 VanDerWaalsContact O-CG 3.28Å; H50-M54 WeakPolarHBondContact O-CG 3.38Å; H50-M54 PolarHBondContact O-N 2.95Å; D51-M54 PolarHBondContact O-N 2.95Å; D51-M54 VanDerWaalsContact O-N 3.12Å; K52-M54 VanDerWaalsContact C-N 3.32Å; K52-M54 PolarHBondContact O-N 3.45Å; M54-R56 VanDerWaalsContact C-N 3.27Å; M54-R56 PolarHBondContact O-N 2.83Å; M54-Y130 HydrophobicContact CE-CD2 4.14Å; M54-Y130 HydrophobicContact CE-CE2 3.38Å; M54-Y130 HydrophobicContact CG-CD2 4.42Å; M54-Y130 HydrophobicContact CG-CE2 4.39Å; M54-Y130 HydrophobicContact SD-CD2 4.36Å; M54-Y130 HydrophobicContact SD-CE2 4.18Å; M54-R133 HydrophobicContact SD-CB 4.27Å; M54-M134 HydrophobicContact CE-CG 3.5Å; M54-M134 VanDerWaalsContact CE-CG 3.5Å; M54-M134 HydrophobicContact CE-SD 3.05Å; M54-M134 WeakPolarHBondContact CE-SD 3.27Å; M54-M134 HydrophobicContact SD-CG 3.98Å; M54-M134 HydrophobicContact SD-SD 3.88Å
55N85.2Confident79Confident107 Ų10775 Ų7557%0.57241%0.41SS*.THydrogen-bonded Turntrans-88.94.6-172.3-64.7-34.9000113.2D51 K52D51-N55 PolarHBondContact O-N 3.42Å; D51-N55 PolarHBondContact O-ND2 2.85Å; D51-N55 VanDerWaalsContact O-ND2 3.13Å; D51-N55 PolarHBondContact OD1-ND2 3.31Å; D51-N55 PolarHBondContact OD2-ND2 3.24Å; K52-N55 PolarHBondContact O-N 3.28Å
56R75.2Confident78.2Confident31 Ų3173.9 Ų73.912%0.11740%0.403CS..SBendtrans-81139.7-174.6176173.2150.4166-0.3113.1M54 D60 D61 S62 E65 R137M54-R56 VanDerWaalsContact C-N 3.27Å; M54-R56 PolarHBondContact O-N 2.83Å; R56-D60 VanDerWaalsContact CZ-CG 3.49Å; R56-D60 IonicContact CZ-OD2 3.58Å; R56-D60 IonicContact NE-OD2 3.74Å; R56-D60 IonicContact NH1-OD2 3.61Å; R56-D60 VanDerWaalsContact NH2-CA 3.34Å; R56-D60 VanDerWaalsContact NH2-CG 3.26Å; R56-D60 PolarHBondContact NH2-O 3.25Å; R56-D60 IonicContact NH2-OD1 3.82Å; R56-D60 IonicContact NH2-OD2 3.66Å; R56-D61 PolarHBondContact NH1-O 2.88Å; R56-D61 PolarHBondContact NH2-O 3.36Å; R56-S62 VanDerWaalsContact NH2-N 3.11Å; R56-E65 IonicContact CZ-OE2 2.69Å; R56-E65 IonicContact NH1-OE2 2.69Å; R56-E65 PolarHBondContact NH1-OE2 3.5Å; R56-R137 PolarHBondContact O-NH2 3.23Å
57P67.9Low77.7Confident102 Ų10278.8 Ų78.866%0.66243%0.426SS*.  trans-63.2142.4170-18.631.3000112L59P57-L59 PolarHBondContact O-N 3.41Å
58T62.7Low77.4Confident109 Ų10978.2 Ų78.267%0.66942%0.421SS*.THydrogen-bonded Turntrans-65-5.6-171-5.80000116.1
59L56Low76.9Confident175 Ų17572.4 Ų72.492%0.91639%0.391SS*.THydrogen-bonded Turntrans-101.6-1.5-167.2-75.1168.3000115.7P57P57-L59 PolarHBondContact O-N 3.41Å
60D57.3Low76.4Confident107 Ų10773 Ų7357%0.57239%0.393SS*.SBendtrans-94.4164.5179.9-17717.3000109.4R56 S62R56-D60 VanDerWaalsContact CZ-CG 3.49Å; R56-D60 IonicContact CZ-OD2 3.58Å; R56-D60 IonicContact NE-OD2 3.74Å; R56-D60 IonicContact NH1-OD2 3.61Å; R56-D60 VanDerWaalsContact NH2-CA 3.34Å; R56-D60 VanDerWaalsContact NH2-CG 3.26Å; R56-D60 PolarHBondContact NH2-O 3.25Å; R56-D60 IonicContact NH2-OD1 3.82Å; R56-D60 IonicContact NH2-OD2 3.66Å; D60-S62 PolarHBondContact O-N 3.3Å
61D57.4Low76.1Confident143 Ų14375.7 Ų75.777%0.76541%0.406SS*.  trans-73.2107.6176.9-92.6-35.9000113.6R56 S63R56-D61 PolarHBondContact NH1-O 2.88Å; R56-D61 PolarHBondContact NH2-O 3.36Å; D61-S63 PolarHBondContact O-N 2.89Å
62S63.5Low75.7Confident39 Ų3972.4 Ų72.427%0.27339%0.389SS..THydrogen-bonded Turntrans-76.9-2.7-165.671.40000115.5R56 D60 E64 E66R56-S62 VanDerWaalsContact NH2-N 3.11Å; D60-S62 PolarHBondContact O-N 3.3Å; S62-E64 PolarHBondContact O-N 3.47Å; S62-E66 VanDerWaalsContact CB-OE1 3.31Å; S62-E66 WeakPolarHBondContact CB-OE1 3.22Å; S62-E66 WeakPolarHBondContact O-CB 3.44Å; S62-E66 VanDerWaalsContact O-CG 3.24Å; S62-E66 WeakPolarHBondContact O-CG 3.31Å; S62-E66 PolarHBondContact O-N 3.41Å; S62-E66 PolarHBondContact OG-OE1 3.45Å
63S68.5Low75.3Confident88 Ų8867 Ų6762%0.61537%0.366SS*.Hα-helixtrans-73.1-26.6-166.6-172.80000114.5D61 H67D61-S63 PolarHBondContact O-N 2.89Å; S63-H67 WeakPolarHBondContact O-CB 3.44Å; S63-H67 PolarHBondContact O-N 3.05Å
64E80Confident75Confident155 Ų15570.2 Ų70.272%0.72438%0.382SS*.Hα-helixtrans-77.2-48.6-174.8-170179.2-18000111.9S62 H67 A68S62-E64 PolarHBondContact O-N 3.47Å; E64-H67 PolarHBondContact O-N 3.43Å; E64-A68 WeakPolarHBondContact O-CB 3.26Å; E64-A68 PolarHBondContact O-N 3.01Å
65E80.4Confident74.8Confident17 Ų1772.9 Ų72.98%0.07939%0.394CS..Hα-helixtrans-66-40.3176.3-74.279.5-172.900112.6K52 H53 R56 H67 A68 I69K52-E65 HydrophobicContact CD-CG 4.1Å; K52-E65 WeakPolarHBondContact CE-OE1 3.47Å; K52-E65 IonicContact NZ-OE1 3.89Å; K52-E65 PolarHBondContact NZ-OE1 3.07Å; H53-E65 HydrophobicContact CB-CB 4.4Å; R56-E65 IonicContact CZ-OE2 2.69Å; R56-E65 IonicContact NH1-OE2 2.69Å; R56-E65 PolarHBondContact NH1-OE2 3.5Å; E65-H67 VanDerWaalsContact C-N 3.29Å; E65-H67 PolarHBondContact O-N 3.14Å; E65-A68 PolarHBondContact O-N 3.21Å; E65-I69 WeakPolarHBondContact O-CB 3.45Å; E65-I69 WeakPolarHBondContact O-CD1 3.48Å; E65-I69 WeakPolarHBondContact O-CG1 3.47Å; E65-I69 PolarHBondContact O-N 3.43Å
66E78.6Confident74.6Confident30 Ų3067.8 Ų67.814%0.1437%0.366CS..Hα-helixtrans-58.2-44.6175.5-74.2174.3-162.500110.9H53 S62 I69 E70H53-E66 IonicContact NE2-OE1 2.69Å; S62-E66 VanDerWaalsContact CB-OE1 3.31Å; S62-E66 WeakPolarHBondContact CB-OE1 3.22Å; S62-E66 WeakPolarHBondContact O-CB 3.44Å; S62-E66 VanDerWaalsContact O-CG 3.24Å; S62-E66 WeakPolarHBondContact O-CG 3.31Å; S62-E66 PolarHBondContact O-N 3.41Å; S62-E66 PolarHBondContact OG-OE1 3.45Å; E66-I69 PolarHBondContact O-N 2.95Å; E66-E70 PolarHBondContact O-N 2.92Å
67H80.8Confident74.8Confident104 Ų10468 Ų6848%0.48137%0.372SS..Hα-helixtrans-66.4-41.9176.9-169.953.1000112.4S63 E64 E65 I69 E70 I71S63-H67 WeakPolarHBondContact O-CB 3.44Å; S63-H67 PolarHBondContact O-N 3.05Å; E64-H67 PolarHBondContact O-N 3.43Å; E65-H67 VanDerWaalsContact C-N 3.29Å; E65-H67 PolarHBondContact O-N 3.14Å; H67-I69 VanDerWaalsContact C-N 3.32Å; H67-I69 PolarHBondContact O-N 2.83Å; H67-E70 IonicContact ND1-OE2 3.37Å; H67-E70 WeakPolarHBondContact O-CB 3.36Å; H67-E70 PolarHBondContact O-N 2.99Å; H67-I71 WeakPolarHBondContact NE2-CD1 3.47Å; H67-I71 WeakPolarHBondContact O-CG1 3.28Å; H67-I71 PolarHBondContact O-N 2.99Å
68A85.8Confident75.3Confident31 Ų3169.2 Ų69.226%0.25637%0.368SS..Hα-helixtrans-62.7-38.3176.100000112.4L49 E64 E65 T72L49-A68 HydrophobicContact CD1-CB 4.2Å; L49-A68 HydrophobicContact CD2-CB 4.23Å; E64-A68 WeakPolarHBondContact O-CB 3.26Å; E64-A68 PolarHBondContact O-N 3.01Å; E65-A68 PolarHBondContact O-N 3.21Å; A68-T72 VanDerWaalsContact O-CB 3.31Å; A68-T72 WeakPolarHBondContact O-CB 3.42Å; A68-T72 PolarHBondContact O-N 3.04Å; A68-T72 PolarHBondContact O-OG1 3.41Å
69I83.1Confident76.3Confident1 Ų165 Ų651%0.00534%0.341CS..Hα-helixtrans-64.4-44.4174.3-71.3165.3000110.3L46 L49 H53 E65 E66 H67 T73 Y130L46-I69 HydrophobicContact CD1-CG2 4.09Å; L49-I69 HydrophobicContact CB-CD1 4.42Å; L49-I69 HydrophobicContact CB-CG1 3.73Å; L49-I69 HydrophobicContact CD1-CG1 4.47Å; H53-I69 HydrophobicContact CB-CD1 3.87Å; E65-I69 WeakPolarHBondContact O-CB 3.45Å; E65-I69 WeakPolarHBondContact O-CD1 3.48Å; E65-I69 WeakPolarHBondContact O-CG1 3.47Å; E65-I69 PolarHBondContact O-N 3.43Å; E66-I69 PolarHBondContact O-N 2.95Å; H67-I69 VanDerWaalsContact C-N 3.32Å; H67-I69 PolarHBondContact O-N 2.83Å; I69-T73 VanDerWaalsContact O-CB 3.25Å; I69-T73 WeakPolarHBondContact O-CB 3.46Å; I69-T73 PolarHBondContact O-N 3.26Å; I69-T73 PolarHBondContact O-OG1 2.9Å; I69-Y130 WeakPolarHBondContact CD1-OH 3.48Å; I69-Y130 HydrophobicContact CG2-CE1 4.39Å
70E80.3Confident77.5Confident52 Ų5257.4 Ų57.424%0.24330%0.301CS..Hα-helixtrans-59.6-53.1177-170.3-179.9-16700111.7E66 H67 T72 T73 Q74 F166E66-E70 PolarHBondContact O-N 2.92Å; H67-E70 IonicContact ND1-OE2 3.37Å; H67-E70 WeakPolarHBondContact O-CB 3.36Å; H67-E70 PolarHBondContact O-N 2.99Å; E70-T72 PolarHBondContact O-N 3.37Å; E70-T73 WeakPolarHBondContact O-CB 3.45Å; E70-T73 PolarHBondContact O-N 3.06Å; E70-Q74 WeakPolarHBondContact O-CG 3.29Å; E70-Q74 PolarHBondContact O-N 3.26Å; E70-F166 HydrophobicContact CB-CE2 4.17Å; E70-F166 HydrophobicContact CB-CZ 4.01Å; E70-F166 HydrophobicContact CG-CE2 4.23Å; E70-F166 HydrophobicContact CG-CZ 4.42Å; E70-F166 WeakPolarHBondContact OE2-CE2 3.24Å
71I82.3Confident78.4Confident65 Ų6555.1 Ų55.133%0.33329%0.286SS..Hα-helixtrans-56.6-51178.9-69.1166.5000110.2H67 T73 Q74 E75H67-I71 WeakPolarHBondContact NE2-CD1 3.47Å; H67-I71 WeakPolarHBondContact O-CG1 3.28Å; H67-I71 PolarHBondContact O-N 2.99Å; I71-T73 VanDerWaalsContact C-N 3.27Å; I71-T73 PolarHBondContact O-N 3.31Å; I71-Q74 PolarHBondContact O-N 3.24Å; I71-Q74 VanDerWaalsContact O-N 3.17Å; I71-E75 HydrophobicContact CG2-CG 4.3Å; I71-E75 WeakPolarHBondContact O-CG 3.47Å; I71-E75 PolarHBondContact O-N 3Å
72T84.1Confident79.7Confident12 Ų1253.2 Ų53.27%0.07427%0.269CS..Hα-helixtrans-62.8-36.8-177.5-55.70000111.5K42 L46 A68 E70 E75 I76K42-T72 HydrophobicContact CD-CG2 4.09Å; L46-T72 HydrophobicContact CB-CG2 3.88Å; L46-T72 HydrophobicContact CD1-CG2 4.22Å; A68-T72 VanDerWaalsContact O-CB 3.31Å; A68-T72 WeakPolarHBondContact O-CB 3.42Å; A68-T72 PolarHBondContact O-N 3.04Å; A68-T72 PolarHBondContact O-OG1 3.41Å; E70-T72 PolarHBondContact O-N 3.37Å; T72-E75 PolarHBondContact O-N 3.18Å; T72-I76 HydrophobicContact CG2-CD1 4.05Å; T72-I76 WeakPolarHBondContact O-CD1 3.46Å; T72-I76 VanDerWaalsContact O-CG1 3.25Å; T72-I76 WeakPolarHBondContact O-CG1 3.47Å; T72-I76 PolarHBondContact O-N 3.49Å
73T81.6Confident80.6Confident7 Ų751.4 Ų51.44%0.04326%0.256CS..Hα-helixtrans-65.8-43.2176.2-60.10000111.4I69 E70 I71 T77 F123 Q127I69-T73 VanDerWaalsContact O-CB 3.25Å; I69-T73 WeakPolarHBondContact O-CB 3.46Å; I69-T73 PolarHBondContact O-N 3.26Å; I69-T73 PolarHBondContact O-OG1 2.9Å; E70-T73 WeakPolarHBondContact O-CB 3.45Å; E70-T73 PolarHBondContact O-N 3.06Å; I71-T73 VanDerWaalsContact C-N 3.27Å; I71-T73 PolarHBondContact O-N 3.31Å; T73-T77 PolarHBondContact O-N 2.93Å; T73-T77 VanDerWaalsContact O-N 3.07Å; T73-T77 PolarHBondContact O-OG1 2.69Å; T73-F123 HydrophobicContact CG2-CZ 3.88Å; T73-Q127 PolarHBondContact OG1-NE2 3.36Å
74Q78.7Confident81.2Confident81 Ų8149.9 Ų49.938%0.37924%0.239SC..Hα-helixtrans-64.9-43.7175.9-70.4177.96.400111.5E70 I71 I76 T77 Q78E70-Q74 WeakPolarHBondContact O-CG 3.29Å; E70-Q74 PolarHBondContact O-N 3.26Å; I71-Q74 PolarHBondContact O-N 3.24Å; I71-Q74 VanDerWaalsContact O-N 3.17Å; Q74-I76 PolarHBondContact O-N 3.39Å; Q74-T77 WeakPolarHBondContact O-CB 3.49Å; Q74-T77 PolarHBondContact O-N 2.98Å; Q74-Q78 WeakPolarHBondContact O-CG 3.35Å; Q74-Q78 PolarHBondContact O-N 3.48Å
75E82.2Confident81.3Confident74 Ų7451 Ų5135%0.34624%0.237SC..Hα-helixtrans-57.6-49.6175.9-74.8-178.8167.900111.6K42 I71 T72 T77 Q78 M79K42-E75 VanDerWaalsContact CE-OE2 3.26Å; K42-E75 WeakPolarHBondContact CE-OE2 3.34Å; K42-E75 IonicContact NZ-OE2 3.62Å; K42-E75 PolarHBondContact NZ-OE2 3.12Å; I71-E75 HydrophobicContact CG2-CG 4.3Å; I71-E75 WeakPolarHBondContact O-CG 3.47Å; I71-E75 PolarHBondContact O-N 3Å; T72-E75 PolarHBondContact O-N 3.18Å; E75-T77 VanDerWaalsContact C-N 3.28Å; E75-T77 PolarHBondContact O-N 3.07Å; E75-Q78 PolarHBondContact O-N 3.46Å; E75-M79 VanDerWaalsContact O-CG 3.28Å; E75-M79 WeakPolarHBondContact O-CG 3.28Å; E75-M79 PolarHBondContact O-N 2.85Å
76I80.1Confident81.5Confident0 Ų051.6 Ų51.60%024%0.243CC..Hα-helixtrans-58.7-42.6177.6-69.4163.9000110.7I39 K42 M43 L46 T72 Q74 M79 F80 F123I39-I76 HydrophobicContact CG2-CG2 4.48Å; K42-I76 HydrophobicContact CB-CD1 4Å; K42-I76 HydrophobicContact CB-CG1 3.6Å; M43-I76 HydrophobicContact CG-CD1 4.12Å; M43-I76 HydrophobicContact CG-CG2 4.34Å; L46-I76 HydrophobicContact CB-CD1 4.1Å; L46-I76 HydrophobicContact CD2-CD1 3.73Å; T72-I76 HydrophobicContact CG2-CD1 4.05Å; T72-I76 WeakPolarHBondContact O-CD1 3.46Å; T72-I76 VanDerWaalsContact O-CG1 3.25Å; T72-I76 WeakPolarHBondContact O-CG1 3.47Å; T72-I76 PolarHBondContact O-N 3.49Å; Q74-I76 PolarHBondContact O-N 3.39Å; I76-M79 WeakPolarHBondContact O-CB 3.42Å; I76-M79 PolarHBondContact O-N 2.92Å; I76-F80 HydrophobicContact CG2-CD2 3.77Å; I76-F80 HydrophobicContact CG2-CE2 3.44Å; I76-F80 VanDerWaalsContact CG2-CE2 3.44Å; I76-F80 HydrophobicContact CG2-CZ 4.49Å; I76-F80 VanDerWaalsContact O-CD2 3.24Å; I76-F80 WeakPolarHBondContact O-CD2 3.46Å; I76-F80 PolarHBondContact O-N 3.46Å; I76-F123 HydrophobicContact CB-CE2 4.04Å; I76-F123 HydrophobicContact CB-CZ 4.21Å; I76-F123 HydrophobicContact CD1-CD2 4.36Å; I76-F123 HydrophobicContact CD1-CE2 3.77Å; I76-F123 HydrophobicContact CG2-CD2 3.83Å; I76-F123 HydrophobicContact CG2-CE1 4.35Å; I76-F123 HydrophobicContact CG2-CE2 3.59Å; I76-F123 HydrophobicContact CG2-CG 4.28Å; I76-F123 HydrophobicContact CG2-CZ 3.86Å
77T79.3Confident81.8Confident37 Ų3750.8 Ų50.823%0.22724%0.239CC..Hα-helixtrans-61.9-45.8178.4-56.30000111.4T73 Q74 E75 M79 F80 H81 A177T73-T77 PolarHBondContact O-N 2.93Å; T73-T77 VanDerWaalsContact O-N 3.07Å; T73-T77 PolarHBondContact O-OG1 2.69Å; Q74-T77 WeakPolarHBondContact O-CB 3.49Å; Q74-T77 PolarHBondContact O-N 2.98Å; E75-T77 VanDerWaalsContact C-N 3.28Å; E75-T77 PolarHBondContact O-N 3.07Å; T77-M79 VanDerWaalsContact C-N 3.3Å; T77-M79 PolarHBondContact O-N 3.26Å; T77-F80 PolarHBondContact O-N 3.45Å; T77-H81 PolarHBondContact O-CD2 3.4Å; T77-H81 PolarHBondContact O-N 3.41Å; T77-H81 VanDerWaalsContact O-N 3.17Å; T77-A177 HydrophobicContact CG2-CB 4.26Å
78Q78.8Confident81.9Confident126 Ų12648.2 Ų48.259%0.58923%0.231SC*.Hα-helixtrans-62.4-37.8176-68.817520.600112.1Q74 E75 H81 R82Q74-Q78 WeakPolarHBondContact O-CG 3.35Å; Q74-Q78 PolarHBondContact O-N 3.48Å; E75-Q78 PolarHBondContact O-N 3.46Å; Q78-H81 PolarHBondContact O-N 3.25Å; Q78-R82 PolarHBondContact O-N 2.94Å
79M84.3Confident81.9Confident21 Ų2148.3 Ų48.310%0.10324%0.236CC..Hα-helixtrans-64.4-42.4176.1-70.9-178.173.700112.2R38 I39 K42 E75 I76 T77 H81 R82 C83R38-M79 HydrophobicContact CB-CE 3.25Å; R38-M79 HydrophobicContact CG-CE 4.43Å; I39-M79 HydrophobicContact CD1-CB 4Å; I39-M79 HydrophobicContact CG1-CB 3.62Å; I39-M79 HydrophobicContact CG1-CE 3.77Å; I39-M79 HydrophobicContact CG1-SD 4.28Å; K42-M79 HydrophobicContact CG-SD 4.46Å; E75-M79 VanDerWaalsContact O-CG 3.28Å; E75-M79 WeakPolarHBondContact O-CG 3.28Å; E75-M79 PolarHBondContact O-N 2.85Å; I76-M79 WeakPolarHBondContact O-CB 3.42Å; I76-M79 PolarHBondContact O-N 2.92Å; T77-M79 VanDerWaalsContact C-N 3.3Å; T77-M79 PolarHBondContact O-N 3.26Å; M79-H81 VanDerWaalsContact C-N 3.32Å; M79-H81 PolarHBondContact O-N 3.16Å; M79-R82 WeakPolarHBondContact O-CB 3.41Å; M79-R82 PolarHBondContact O-N 3.3Å; M79-R82 VanDerWaalsContact O-N 3.16Å; M79-C83 PolarHBondContact O-N 2.95Å; M79-C83 PolarHBondContact O-SG 3.45Å
80F80.4Confident82Confident15 Ų1548.5 Ų48.57%0.06624%0.236CC..Hα-helixtrans-57.9-43.8172.8-80.2-64.2000112I39 M43 I76 T77 R82 C83 Q84 L116 L119 F123I39-F80 HydrophobicContact CD1-CD1 3.97Å; I39-F80 HydrophobicContact CD1-CE1 4.17Å; I39-F80 HydrophobicContact CD1-CG 4.33Å; I39-F80 HydrophobicContact CG2-CE1 3.94Å; I39-F80 HydrophobicContact CG2-CE2 4.01Å; I39-F80 HydrophobicContact CG2-CZ 3.58Å; M43-F80 HydrophobicContact SD-CZ 4.38Å; I76-F80 HydrophobicContact CG2-CD2 3.77Å; I76-F80 HydrophobicContact CG2-CE2 3.44Å; I76-F80 VanDerWaalsContact CG2-CE2 3.44Å; I76-F80 HydrophobicContact CG2-CZ 4.49Å; I76-F80 VanDerWaalsContact O-CD2 3.24Å; I76-F80 WeakPolarHBondContact O-CD2 3.46Å; I76-F80 PolarHBondContact O-N 3.46Å; T77-F80 PolarHBondContact O-N 3.45Å; F80-R82 VanDerWaalsContact C-N 3.33Å; F80-R82 PolarHBondContact O-N 3.15Å; F80-C83 PolarHBondContact O-N 3.16Å; F80-Q84 WeakPolarHBondContact O-CB 3.34Å; F80-Q84 PolarHBondContact O-N 3.25Å; F80-L116 HydrophobicContact CD1-CD2 4.23Å; F80-L116 HydrophobicContact CE1-CD2 4.47Å; F80-L119 HydrophobicContact CE1-CB 3.8Å; F80-L119 HydrophobicContact CZ-CB 3.91Å; F80-F123 HydrophobicContact CE2-CB 4.2Å; F80-F123 HydrophobicContact CE2-CD1 4.2Å; F80-F123 HydrophobicContact CE2-CG 4.17Å; F80-F123 HydrophobicContact CZ-CB 4.4Å
81H76.9Confident82Confident59 Ų5947.7 Ų47.727%0.27323%0.233SC..Hα-helixtrans-64.9-34.9176.2-68.3-55.8000113.2T77 Q78 M79 R85T77-H81 PolarHBondContact O-CD2 3.4Å; T77-H81 PolarHBondContact O-N 3.41Å; T77-H81 VanDerWaalsContact O-N 3.17Å; Q78-H81 PolarHBondContact O-N 3.25Å; M79-H81 VanDerWaalsContact C-N 3.32Å; M79-H81 PolarHBondContact O-N 3.16Å; H81-R85 WeakPolarHBondContact O-CG 3.21Å; H81-R85 PolarHBondContact O-N 2.96Å; H81-R85 VanDerWaalsContact O-N 3.16Å; H81-R85 PolarHBondContact O-NE 2.91Å
82R83.1Confident81.9Confident104 Ų10448.8 Ų48.839%0.39225%0.246SC..Hα-helixtrans-64.5-52.1172.9-177.1-177.5175.2165.1-1.2110.5E31 D35 Q78 M79 F80 Q84 R85 S86E31-R82 IonicContact OE1-CZ 3.79Å; E31-R82 IonicContact OE1-NE 3.24Å; E31-R82 IonicContact OE1-NH2 3.83Å; E31-R82 PolarHBondContact OE1-NH2 3.21Å; D35-R82 WeakPolarHBondContact OD2-CD 3.28Å; D35-R82 IonicContact OD2-CZ 2.69Å; D35-R82 IonicContact OD2-NE 3.92Å; D35-R82 PolarHBondContact OD2-NE 3.11Å; Q78-R82 PolarHBondContact O-N 2.94Å; M79-R82 WeakPolarHBondContact O-CB 3.41Å; M79-R82 PolarHBondContact O-N 3.3Å; M79-R82 VanDerWaalsContact O-N 3.16Å; F80-R82 VanDerWaalsContact C-N 3.33Å; F80-R82 PolarHBondContact O-N 3.15Å; R82-Q84 VanDerWaalsContact C-N 3.3Å; R82-Q84 PolarHBondContact O-N 3.42Å; R82-R85 PolarHBondContact O-N 3.31Å; R82-R85 VanDerWaalsContact O-N 3.15Å; R82-S86 PolarHBondContact O-N 2.93Å; R82-S86 PolarHBondContact O-OG 3.36Å
83C84.1Confident81.7Confident0 Ų053.6 Ų53.60%026%0.263CS..Hα-helixtrans-56.6-43.7178-70.90000112.1D35 M79 F80 R85 S86 V87 L116D35-C83 WeakPolarHBondContact CB-SG 3.44Å; M79-C83 PolarHBondContact O-N 2.95Å; M79-C83 PolarHBondContact O-SG 3.45Å; F80-C83 PolarHBondContact O-N 3.16Å; C83-R85 PolarHBondContact O-N 3.33Å; C83-S86 PolarHBondContact O-N 2.91Å; C83-V87 VanDerWaalsContact O-CG2 3.29Å; C83-V87 WeakPolarHBondContact O-CG2 3.43Å; C83-V87 PolarHBondContact O-N 3.35Å; C83-L116 HydrophobicContact CB-CD1 3.71Å; C83-L116 HydrophobicContact CB-CD2 3.52Å; C83-L116 HydrophobicContact CB-CG 4.28Å
84Q79.9Confident81.3Confident57 Ų5755.8 Ų55.827%0.26627%0.271SS..Hα-helixtrans-57.9-48.8177-176.2-169.6-6.300111.5F80 R82 S86 V87 T88 L181F80-Q84 WeakPolarHBondContact O-CB 3.34Å; F80-Q84 PolarHBondContact O-N 3.25Å; R82-Q84 VanDerWaalsContact C-N 3.3Å; R82-Q84 PolarHBondContact O-N 3.42Å; Q84-S86 VanDerWaalsContact C-N 3.33Å; Q84-S86 PolarHBondContact O-N 3.14Å; Q84-V87 PolarHBondContact O-N 2.96Å; Q84-T88 PolarHBondContact O-N 3.19Å; Q84-T88 PolarHBondContact O-OG1 3.05Å; Q84-L181 VanDerWaalsContact CD-CD2 3.4Å; Q84-L181 HydrophobicContact CG-CD2 4.15Å
85R82.1Confident80.9Confident179 Ų17955.5 Ų55.568%0.67529%0.289SS*.Hα-helixtrans-61.5-41.7177.4-74.8-175.2-70.1158.5-4.5111.8H81 R82 C83 T88 G89H81-R85 WeakPolarHBondContact O-CG 3.21Å; H81-R85 PolarHBondContact O-N 2.96Å; H81-R85 VanDerWaalsContact O-N 3.16Å; H81-R85 PolarHBondContact O-NE 2.91Å; R82-R85 PolarHBondContact O-N 3.31Å; R82-R85 VanDerWaalsContact O-N 3.15Å; C83-R85 PolarHBondContact O-N 3.33Å; R85-T88 PolarHBondContact O-N 3.43Å; R85-G89 PolarHBondContact O-N 3.33Å
86S86.1Confident80.6Confident29 Ų2960.3 Ų60.320%0.20331%0.311CS..Hα-helixtrans-64.5-42.2177.2-61.70000112R82 C83 Q84 G89 L90R82-S86 PolarHBondContact O-N 2.93Å; R82-S86 PolarHBondContact O-OG 3.36Å; C83-S86 PolarHBondContact O-N 2.91Å; Q84-S86 VanDerWaalsContact C-N 3.33Å; Q84-S86 PolarHBondContact O-N 3.14Å; S86-G89 CarbonylContact O-C 3.57Å; S86-G89 PolarHBondContact O-N 2.99Å; S86-L90 WeakPolarHBondContact O-CB 3.46Å; S86-L90 PolarHBondContact O-N 3.18Å
87V84Confident80.5Confident12 Ų1262 Ų627%0.07332%0.322CS..Hα-helixtrans-63.2-44175.6171.60000111.3I32 C83 Q84 L90 Q91 V109 L112 L116I32-V87 HydrophobicContact CD1-CG2 3.87Å; I32-V87 HydrophobicContact CG1-CG2 4.38Å; I32-V87 HydrophobicContact CG2-CG2 3.86Å; C83-V87 VanDerWaalsContact O-CG2 3.29Å; C83-V87 WeakPolarHBondContact O-CG2 3.43Å; C83-V87 PolarHBondContact O-N 3.35Å; Q84-V87 PolarHBondContact O-N 2.96Å; V87-L90 WeakPolarHBondContact O-CB 3.32Å; V87-L90 PolarHBondContact O-N 3.39Å; V87-Q91 PolarHBondContact O-N 3.33Å; V87-V109 HydrophobicContact CG1-CG1 3.98Å; V87-L112 HydrophobicContact CG2-CB 4.25Å; V87-L116 HydrophobicContact CG2-CD1 3.79Å
88T82.4Confident80.7Confident50 Ų5063.8 Ų63.831%0.30733%0.334SS..Hα-helixtrans-63.6-41.4174.3-63.60000111.9Q84 R85 L90 Q91 S92 Y185Q84-T88 PolarHBondContact O-N 3.19Å; Q84-T88 PolarHBondContact O-OG1 3.05Å; R85-T88 PolarHBondContact O-N 3.43Å; T88-L90 VanDerWaalsContact C-N 3.27Å; T88-L90 PolarHBondContact O-N 3.44Å; T88-Q91 WeakPolarHBondContact O-CB 3.28Å; T88-Q91 PolarHBondContact O-N 3.28Å; T88-S92 PolarHBondContact O-N 3.06Å; T88-Y185 HydrophobicContact CG2-CE1 4.48Å; T88-Y185 WeakPolarHBondContact CG2-OH 3.4Å; T88-Y185 WeakPolarHBondContact OG1-CE1 3.27Å
89G85.1Confident80.9Confident34 Ų3463.8 Ų63.835%0.35133%0.333SS..Hα-helixtrans-67.3-25.9175.400000113.6R85 S86 S92R85-G89 PolarHBondContact O-N 3.33Å; S86-G89 CarbonylContact O-C 3.57Å; S86-G89 PolarHBondContact O-N 2.99Å; G89-S92 PolarHBondContact O-OG 3.46Å
90L85.4Confident80.8Confident4 Ų470.1 Ų70.12%0.02136%0.363CS..Hα-helixtrans-73.4-41.1172-175.765000110.8W25 V29 I32 S86 V87 T88 S92 R93 L105 V109 L112W25-L90 HydrophobicContact CB-CD1 3.68Å; W25-L90 WeakPolarHBondContact O-CD1 3.48Å; V29-L90 HydrophobicContact CG2-CD1 4.27Å; V29-L90 HydrophobicContact CG2-CD2 3.56Å; I32-L90 HydrophobicContact CD1-CB 4.25Å; I32-L90 HydrophobicContact CD1-CD2 3.87Å; S86-L90 WeakPolarHBondContact O-CB 3.46Å; S86-L90 PolarHBondContact O-N 3.18Å; V87-L90 WeakPolarHBondContact O-CB 3.32Å; V87-L90 PolarHBondContact O-N 3.39Å; T88-L90 VanDerWaalsContact C-N 3.27Å; T88-L90 PolarHBondContact O-N 3.44Å; L90-S92 VanDerWaalsContact C-N 3.29Å; L90-S92 PolarHBondContact O-N 3.42Å; L90-R93 WeakPolarHBondContact O-CB 3.31Å; L90-R93 PolarHBondContact O-N 2.87Å; L90-R93 VanDerWaalsContact O-N 3.15Å; L90-L105 HydrophobicContact CD1-CD1 3.94Å; L90-L105 HydrophobicContact CD2-CD1 4.3Å; L90-L105 HydrophobicContact CG-CD1 3.82Å; L90-V109 HydrophobicContact CB-CG2 4.39Å; L90-V109 HydrophobicContact CD2-CG2 3.8Å; L90-V109 HydrophobicContact CG-CG2 3.94Å; L90-L112 HydrophobicContact CD2-CD1 3.95Å
91Q80.3Confident80.9Confident35 Ų3572.2 Ų72.216%0.16437%0.373CS..Hα-helixtrans-61.9-33.2178.1-174.9173.47.900113.1V87 T88 R93 R94 V109 Y185V87-Q91 PolarHBondContact O-N 3.33Å; T88-Q91 WeakPolarHBondContact O-CB 3.28Å; T88-Q91 PolarHBondContact O-N 3.28Å; Q91-R93 PolarHBondContact O-N 3.08Å; Q91-R93 VanDerWaalsContact O-N 3.16Å; Q91-R94 VanDerWaalsContact O-CG 3.27Å; Q91-R94 WeakPolarHBondContact O-CG 3.11Å; Q91-R94 PolarHBondContact O-N 2.87Å; Q91-V109 HydrophobicContact CB-CG1 4.41Å; Q91-Y185 PolarHBondContact OE1-OH 3.11Å
92S81.8Confident81.3Confident89 Ų8973 Ų7362%0.62238%0.377SS*.G310 helixtrans-66.5-13.417866.20000113.8T88 G89 L90 R94T88-S92 PolarHBondContact O-N 3.06Å; G89-S92 PolarHBondContact O-OG 3.46Å; L90-S92 VanDerWaalsContact C-N 3.29Å; L90-S92 PolarHBondContact O-N 3.42Å; S92-R94 VanDerWaalsContact C-N 3.29Å; S92-R94 PolarHBondContact O-N 3.47Å
93R79.3Confident81.4Confident113 Ų11375.5 Ų75.543%0.42639%0.386SS..G310 helixtrans-79.7-5.7178.8-58.3-174.9178.4-138.5-0.1114.3K24 L90 Q91 G95 H96 C97 L105K24-R93 PolarHBondContact O-NH1 2.73Å; L90-R93 WeakPolarHBondContact O-CB 3.31Å; L90-R93 PolarHBondContact O-N 2.87Å; L90-R93 VanDerWaalsContact O-N 3.15Å; Q91-R93 PolarHBondContact O-N 3.08Å; Q91-R93 VanDerWaalsContact O-N 3.16Å; R93-G95 VanDerWaalsContact C-N 3.3Å; R93-G95 PolarHBondContact O-N 3.48Å; R93-H96 PolarHBondContact O-N 2.95Å; R93-C97 PolarHBondContact O-SG 3.33Å; R93-C97 VanDerWaalsContact O-SG 3.35Å; R93-L105 HydrophobicContact CB-CD2 4.26Å
94R73.9Confident81.5Confident53 Ų5380.3 Ų80.320%0.241%0.411CS..G310 helixtrans-52.9-42.8-179.8-75.7178.8-173.1-165.24.3113.3Q91 S92 H96 C97 E102 L105Q91-R94 VanDerWaalsContact O-CG 3.27Å; Q91-R94 WeakPolarHBondContact O-CG 3.11Å; Q91-R94 PolarHBondContact O-N 2.87Å; S92-R94 VanDerWaalsContact C-N 3.29Å; S92-R94 PolarHBondContact O-N 3.47Å; R94-H96 PolarHBondContact O-N 3.07Å; R94-C97 PolarHBondContact O-N 2.88Å; R94-E102 HydrophobicContact CB-CG 4.14Å; R94-E102 HydrophobicContact CG-CG 4.19Å; R94-L105 HydrophobicContact CB-CD2 4.4Å; R94-L105 HydrophobicContact CG-CD2 3.71Å; R94-L105 HydrophobicContact CG-CG 4.3Å
95G70.1Confident81.8Confident74 Ų7477.6 Ų77.676%0.76340%0.399SS*.G310 helixtrans-70-1.9-177.600000116.4R93R93-G95 VanDerWaalsContact C-N 3.3Å; R93-G95 PolarHBondContact O-N 3.48Å
96H75.8Confident81.9Confident176 Ų17669.9 Ų69.982%0.81537%0.371SS*.G310 helixtrans-113.412.1179.8-63.4-59.7000113.2R93 R94R93-H96 PolarHBondContact O-N 2.95Å; R94-H96 PolarHBondContact O-N 3.07Å
97C77.9Confident81.8Confident34 Ų3473.1 Ų73.123%0.2339%0.386CS..SBendtrans-113.8159.5-174.7-61.60000111.3R93 R94 E101R93-C97 PolarHBondContact O-SG 3.33Å; R93-C97 VanDerWaalsContact O-SG 3.35Å; R94-C97 PolarHBondContact O-N 2.88Å; C97-E101 HydrophobicContact CB-CB 3.79Å
98T83.8Confident82.1Confident76 Ų7674.4 Ų74.447%0.46639%0.394SS..  trans-65.6159164.560.80000110.4Q100 E101 E102T98-Q100 PolarHBondContact O-N 3.42Å; T98-E101 WeakPolarHBondContact CB-OE2 3.22Å; T98-E101 WeakPolarHBondContact CG2-OE2 3.44Å; T98-E101 PolarHBondContact N-OE2 3.02Å; T98-E101 CarbonylContact O-C 3.6Å; T98-E101 PolarHBondContact O-N 3.46Å; T98-E101 WeakPolarHBondContact OG1-CB 3.3Å; T98-E101 WeakPolarHBondContact OG1-CG 3.06Å; T98-E101 PolarHBondContact OG1-N 2.95Å; T98-E101 PolarHBondContact OG1-OE2 2.88Å; T98-E102 PolarHBondContact O-N 3.31Å
99E81.3Confident82.3Confident125 Ų12572.4 Ų72.458%0.58438%0.382SS*.Hα-helixtrans-55.4-38.5179.9-169.1-170161.700112.7E102 R103E99-E102 PolarHBondContact O-N 2.95Å; E99-R103 WeakPolarHBondContact O-CG 3.36Å; E99-R103 PolarHBondContact O-N 3.39Å; E99-R103 VanDerWaalsContact O-N 3.11Å; E99-R103 IonicContact OE1-CZ 3.77Å; E99-R103 IonicContact OE1-NE 2.82Å; E99-R103 IonicContact OE1-NH2 3.89Å; E99-R103 PolarHBondContact OE1-NH2 3.29Å
100Q82.4Confident82.1Confident154 Ų15472.4 Ų72.472%0.7238%0.377SS*.Hα-helixtrans-67.1-43.7176.6-68.5173.4-26.500111.9T98 E102 R103 L104T98-Q100 PolarHBondContact O-N 3.42Å; Q100-E102 VanDerWaalsContact C-N 3.34Å; Q100-R103 PolarHBondContact O-N 3.34Å; Q100-L104 WeakPolarHBondContact O-CG 3.25Å; Q100-L104 PolarHBondContact O-N 2.89Å; Q100-L104 VanDerWaalsContact O-N 3.14Å
101E84Confident82.2Confident59 Ų5975.8 Ų75.828%0.27640%0.401SS..Hα-helixtrans-67.7-33.9176.3-73.3167.5144.300112.2C97 T98 L104 L105C97-E101 HydrophobicContact CB-CB 3.79Å; T98-E101 WeakPolarHBondContact CB-OE2 3.22Å; T98-E101 WeakPolarHBondContact CG2-OE2 3.44Å; T98-E101 PolarHBondContact N-OE2 3.02Å; T98-E101 CarbonylContact O-C 3.6Å; T98-E101 PolarHBondContact O-N 3.46Å; T98-E101 WeakPolarHBondContact OG1-CB 3.3Å; T98-E101 WeakPolarHBondContact OG1-CG 3.06Å; T98-E101 PolarHBondContact OG1-N 2.95Å; T98-E101 PolarHBondContact OG1-OE2 2.88Å; E101-L104 PolarHBondContact O-N 3.09Å; E101-L105 VanDerWaalsContact O-CB 3.28Å; E101-L105 WeakPolarHBondContact O-CB 3.31Å; E101-L105 PolarHBondContact O-N 3.49Å
102E84.3Confident82.5Confident77 Ų7774.3 Ų74.336%0.3639%0.394SS..Hα-helixtrans-62.9-47.4174.5-178.1175.1-16500110.7R94 T98 E99 Q100 L104 L105 V106R94-E102 HydrophobicContact CB-CG 4.14Å; R94-E102 HydrophobicContact CG-CG 4.19Å; T98-E102 PolarHBondContact O-N 3.31Å; E99-E102 PolarHBondContact O-N 2.95Å; Q100-E102 VanDerWaalsContact C-N 3.34Å; E102-L104 VanDerWaalsContact C-N 3.3Å; E102-L104 PolarHBondContact O-N 2.97Å; E102-L105 PolarHBondContact O-N 3.04Å; E102-V106 HydrophobicContact CG-CG2 4.36Å; E102-V106 WeakPolarHBondContact O-CG2 3.23Å; E102-V106 PolarHBondContact O-N 3Å
103R84.6Confident82.5Confident156 Ų15671.1 Ų71.159%0.58937%0.372SS*.Hα-helixtrans-57.7-42.8175.3-69.4174.6-172.2-157.13.8111.7E99 Q100 V106 N107E99-R103 WeakPolarHBondContact O-CG 3.36Å; E99-R103 PolarHBondContact O-N 3.39Å; E99-R103 VanDerWaalsContact O-N 3.11Å; E99-R103 IonicContact OE1-CZ 3.77Å; E99-R103 IonicContact OE1-NE 2.82Å; E99-R103 IonicContact OE1-NH2 3.89Å; E99-R103 PolarHBondContact OE1-NH2 3.29Å; Q100-R103 PolarHBondContact O-N 3.34Å; R103-V106 PolarHBondContact O-N 3.23Å; R103-N107 PolarHBondContact O-N 3.33Å; R103-N107 PolarHBondContact O-ND2 3Å
104L86.3Confident82.5Confident101 Ų10169.1 Ų69.153%0.52937%0.368SS..Hα-helixtrans-64.1-47.5175.7-69.4174.6000111.8W25 Q100 E101 E102 V106 N107 V108W25-L104 HydrophobicContact CZ2-CB 4.37Å; Q100-L104 WeakPolarHBondContact O-CG 3.25Å; Q100-L104 PolarHBondContact O-N 2.89Å; Q100-L104 VanDerWaalsContact O-N 3.14Å; E101-L104 PolarHBondContact O-N 3.09Å; E102-L104 VanDerWaalsContact C-N 3.3Å; E102-L104 PolarHBondContact O-N 2.97Å; L104-V106 VanDerWaalsContact C-N 3.28Å; L104-V106 PolarHBondContact O-N 2.77Å; L104-N107 PolarHBondContact O-N 2.76Å; L104-N107 VanDerWaalsContact O-N 3.16Å; L104-V108 WeakPolarHBondContact O-CG2 3.39Å; L104-V108 PolarHBondContact O-N 3.17Å
105L86.4Confident83.1Confident0 Ų068.5 Ų68.50%037%0.372CS..Hα-helixtrans-58.8-40.2178.3178.961.1000111.6W25 L90 R93 R94 E101 E102 V108 V109W25-L105 HydrophobicContact CB-CD1 4.07Å; W25-L105 HydrophobicContact CD2-CD1 3.75Å; W25-L105 HydrophobicContact CE3-CD1 3.99Å; W25-L105 HydrophobicContact CG-CD1 3.8Å; L90-L105 HydrophobicContact CD1-CD1 3.94Å; L90-L105 HydrophobicContact CD2-CD1 4.3Å; L90-L105 HydrophobicContact CG-CD1 3.82Å; R93-L105 HydrophobicContact CB-CD2 4.26Å; R94-L105 HydrophobicContact CB-CD2 4.4Å; R94-L105 HydrophobicContact CG-CD2 3.71Å; R94-L105 HydrophobicContact CG-CG 4.3Å; E101-L105 VanDerWaalsContact O-CB 3.28Å; E101-L105 WeakPolarHBondContact O-CB 3.31Å; E101-L105 PolarHBondContact O-N 3.49Å; E102-L105 PolarHBondContact O-N 3.04Å; L105-V108 PolarHBondContact O-N 3.31Å; L105-V109 HydrophobicContact CD1-CG2 4.19Å; L105-V109 WeakPolarHBondContact O-CB 3.39Å; L105-V109 VanDerWaalsContact O-CG2 3.28Å; L105-V109 WeakPolarHBondContact O-CG2 3.24Å; L105-V109 PolarHBondContact O-N 3.21Å
106V83.8Confident83.6Confident16 Ų1665.9 Ų65.910%0.09734%0.34CS..Hα-helixtrans-59.2-49.7175.3175.60000110.9E102 R103 L104 V108 V109 S110 F193E102-V106 HydrophobicContact CG-CG2 4.36Å; E102-V106 WeakPolarHBondContact O-CG2 3.23Å; E102-V106 PolarHBondContact O-N 3Å; R103-V106 PolarHBondContact O-N 3.23Å; L104-V106 VanDerWaalsContact C-N 3.28Å; L104-V106 PolarHBondContact O-N 2.77Å; V106-V108 VanDerWaalsContact C-N 3.34Å; V106-V108 PolarHBondContact O-N 3.23Å; V106-V109 PolarHBondContact O-N 3.07Å; V106-S110 PolarHBondContact O-N 2.98Å; V106-S110 PolarHBondContact O-OG 2.91Å; V106-S110 VanDerWaalsContact O-OG 3.08Å; V106-F193 HydrophobicContact CG1-CD2 4.07Å; V106-F193 HydrophobicContact CG1-CE2 3.57Å
107N85.2Confident83.7Confident97 Ų9760.9 Ų60.952%0.51932%0.317SS..Hα-helixtrans-63.3-40.8-179.6-70.4-23.5000112.1R103 L104 S110 S111R103-N107 PolarHBondContact O-N 3.33Å; R103-N107 PolarHBondContact O-ND2 3Å; L104-N107 PolarHBondContact O-N 2.76Å; L104-N107 VanDerWaalsContact O-N 3.16Å; N107-S110 PolarHBondContact O-N 2.87Å; N107-S111 PolarHBondContact O-N 3.41Å
108V89.4Confident83.8Confident39 Ų3963.6 Ų63.624%0.23633%0.33CS..Hα-helixtrans-63.8-49.2176.8172.70000110.9W25 V29 L104 L105 V106 S110 S111 L112W25-V108 HydrophobicContact CH2-CG2 4.16Å; W25-V108 HydrophobicContact CZ3-CB 4.49Å; W25-V108 HydrophobicContact CZ3-CG1 4.38Å; W25-V108 HydrophobicContact CZ3-CG2 4.14Å; V29-V108 HydrophobicContact CB-CG1 4.4Å; V29-V108 HydrophobicContact CG1-CG1 3.9Å; V29-V108 HydrophobicContact CG2-CG1 3.53Å; L104-V108 WeakPolarHBondContact O-CG2 3.39Å; L104-V108 PolarHBondContact O-N 3.17Å; L105-V108 PolarHBondContact O-N 3.31Å; V106-V108 VanDerWaalsContact C-N 3.34Å; V106-V108 PolarHBondContact O-N 3.23Å; V108-S110 VanDerWaalsContact C-N 3.27Å; V108-S110 PolarHBondContact O-N 2.93Å; V108-S111 PolarHBondContact O-N 3.11Å; V108-S111 VanDerWaalsContact O-N 3.14Å; V108-L112 HydrophobicContact CG1-CD1 3.94Å; V108-L112 HydrophobicContact CG1-CG 4.35Å; V108-L112 WeakPolarHBondContact O-CG 3.46Å; V108-L112 PolarHBondContact O-N 3.35Å
109V86.3Confident83.7Confident9 Ų961 Ų616%0.05531%0.313CS..Hα-helixtrans-56.6-43176.21660000111.1V87 L90 Q91 L105 V106 L112 A113V87-V109 HydrophobicContact CG1-CG1 3.98Å; L90-V109 HydrophobicContact CB-CG2 4.39Å; L90-V109 HydrophobicContact CD2-CG2 3.8Å; L90-V109 HydrophobicContact CG-CG2 3.94Å; Q91-V109 HydrophobicContact CB-CG1 4.41Å; L105-V109 HydrophobicContact CD1-CG2 4.19Å; L105-V109 WeakPolarHBondContact O-CB 3.39Å; L105-V109 VanDerWaalsContact O-CG2 3.28Å; L105-V109 WeakPolarHBondContact O-CG2 3.24Å; L105-V109 PolarHBondContact O-N 3.21Å; V106-V109 PolarHBondContact O-N 3.07Å; V109-L112 PolarHBondContact O-N 2.99Å; V109-A113 VanDerWaalsContact O-CB 3.31Å; V109-A113 WeakPolarHBondContact O-CB 3.35Å; V109-A113 PolarHBondContact O-N 3.47Å
110S82.8Confident83.6Confident34 Ų3455.6 Ų55.624%0.23829%0.289CS..Hα-helixtrans-62.9-43.6176.5-65.10000112.6V106 N107 V108 A113 Q114V106-S110 PolarHBondContact O-N 2.98Å; V106-S110 PolarHBondContact O-OG 2.91Å; V106-S110 VanDerWaalsContact O-OG 3.08Å; N107-S110 PolarHBondContact O-N 2.87Å; V108-S110 VanDerWaalsContact C-N 3.27Å; V108-S110 PolarHBondContact O-N 2.93Å; S110-A113 PolarHBondContact O-N 3.48Å; S110-Q114 WeakPolarHBondContact O-CB 3.43Å; S110-Q114 PolarHBondContact O-N 3.49Å
111S86.9Confident83.3Confident75 Ų7550.2 Ų50.252%0.52427%0.266SS..Hα-helixtrans-64.8-41178.1179.50000112.5N107 V108 Q114 S115N107-S111 PolarHBondContact O-N 3.41Å; V108-S111 PolarHBondContact O-N 3.11Å; V108-S111 VanDerWaalsContact O-N 3.14Å; S111-Q114 PolarHBondContact O-N 3.17Å; S111-S115 PolarHBondContact O-N 3.28Å; S111-S115 PolarHBondContact O-OG 2.91Å
112L86.9Confident83.2Confident4 Ų451.7 Ų51.72%0.02128%0.276CS..Hα-helixtrans-65-44175.2-67.3172.3000111.4V29 I32 I36 V87 L90 V108 V109 S115 L116V29-L112 HydrophobicContact CG1-CD1 4.33Å; V29-L112 HydrophobicContact CG2-CD1 4.37Å; I32-L112 HydrophobicContact CB-CD1 4.31Å; I32-L112 HydrophobicContact CD1-CD1 4.01Å; I32-L112 HydrophobicContact CG2-CB 4.41Å; I32-L112 HydrophobicContact CG2-CD1 4.09Å; I32-L112 HydrophobicContact CG2-CD2 4Å; I32-L112 HydrophobicContact CG2-CG 4.4Å; I36-L112 HydrophobicContact CD1-CD2 3.98Å; V87-L112 HydrophobicContact CG2-CB 4.25Å; L90-L112 HydrophobicContact CD2-CD1 3.95Å; V108-L112 HydrophobicContact CG1-CD1 3.94Å; V108-L112 HydrophobicContact CG1-CG 4.35Å; V108-L112 WeakPolarHBondContact O-CG 3.46Å; V108-L112 PolarHBondContact O-N 3.35Å; V109-L112 PolarHBondContact O-N 2.99Å; L112-S115 PolarHBondContact O-N 2.89Å; L112-L116 WeakPolarHBondContact O-CG 3.18Å; L112-L116 PolarHBondContact O-N 3.04Å
113A80.6Confident82.9Confident21 Ų2148.3 Ų48.317%0.17426%0.26CS..Hα-helixtrans-61.5-43.9177.100000111.8V109 S110 L116 Q117V109-A113 VanDerWaalsContact O-CB 3.31Å; V109-A113 WeakPolarHBondContact O-CB 3.35Å; V109-A113 PolarHBondContact O-N 3.47Å; S110-A113 PolarHBondContact O-N 3.48Å; A113-L116 PolarHBondContact O-N 3.48Å; A113-Q117 WeakPolarHBondContact O-CB 3.44Å; A113-Q117 PolarHBondContact O-N 2.88Å
114Q80.4Confident82.5Confident71 Ų7144.3 Ų44.333%0.33225%0.245SC..Hα-helixtrans-60.7-46.3175.6-173.362.456.200111.4S110 S111 L116 Q117 D118S110-Q114 WeakPolarHBondContact O-CB 3.43Å; S110-Q114 PolarHBondContact O-N 3.49Å; S111-Q114 PolarHBondContact O-N 3.17Å; Q114-L116 VanDerWaalsContact C-N 3.31Å; Q114-L116 PolarHBondContact O-N 3Å; Q114-Q117 WeakPolarHBondContact O-CB 3.4Å; Q114-Q117 PolarHBondContact O-N 2.88Å; Q114-Q117 VanDerWaalsContact O-N 3.14Å; Q114-D118 PolarHBondContact NE2-OD1 3.44Å; Q114-D118 VanDerWaalsContact O-CG 3.32Å; Q114-D118 PolarHBondContact O-N 3.31Å
115S85.5Confident82.2Confident40 Ų4045.7 Ų45.728%0.2825%0.249SC..Hα-helixtrans-59.3-42.1178.3-58.80000111.9S111 L112 D118 L119S111-S115 PolarHBondContact O-N 3.28Å; S111-S115 PolarHBondContact O-OG 2.91Å; L112-S115 PolarHBondContact O-N 2.89Å; S115-D118 PolarHBondContact O-N 3.25Å; S115-L119 VanDerWaalsContact O-CG 3.32Å; S115-L119 WeakPolarHBondContact O-CG 3.35Å; S115-L119 PolarHBondContact O-N 3.29Å
116L81.4Confident81.8Confident19 Ų1947.8 Ų47.810%0.09926%0.262CS..Hα-helixtrans-66.5-38.4176-73.6169.1000112.6I36 I39 F80 C83 V87 L112 A113 Q114 L119 S120I36-L116 HydrophobicContact CD1-CD2 4.29Å; I36-L116 HydrophobicContact CD1-CG 4.18Å; I36-L116 HydrophobicContact CG1-CD2 3.74Å; I36-L116 HydrophobicContact CG1-CG 4.19Å; I39-L116 HydrophobicContact CD1-CD2 4.25Å; F80-L116 HydrophobicContact CD1-CD2 4.23Å; F80-L116 HydrophobicContact CE1-CD2 4.47Å; C83-L116 HydrophobicContact CB-CD1 3.71Å; C83-L116 HydrophobicContact CB-CD2 3.52Å; C83-L116 HydrophobicContact CB-CG 4.28Å; V87-L116 HydrophobicContact CG2-CD1 3.79Å; L112-L116 WeakPolarHBondContact O-CG 3.18Å; L112-L116 PolarHBondContact O-N 3.04Å; A113-L116 PolarHBondContact O-N 3.48Å; Q114-L116 VanDerWaalsContact C-N 3.31Å; Q114-L116 PolarHBondContact O-N 3Å; L116-L119 PolarHBondContact O-N 3.42Å; L116-S120 VanDerWaalsContact O-CB 3.31Å; L116-S120 WeakPolarHBondContact O-CB 3.43Å; L116-S120 PolarHBondContact O-N 3.31Å
117Q78.4Confident81.6Confident72 Ų7247.4 Ų47.434%0.33626%0.258SS..Hα-helixtrans-64.1-43.6176.3180176.5-6.900111.7A113 Q114 S120 T121A113-Q117 WeakPolarHBondContact O-CB 3.44Å; A113-Q117 PolarHBondContact O-N 2.88Å; Q114-Q117 WeakPolarHBondContact O-CB 3.4Å; Q114-Q117 PolarHBondContact O-N 2.88Å; Q114-Q117 VanDerWaalsContact O-N 3.14Å; Q117-S120 PolarHBondContact O-N 2.9Å; Q117-T121 WeakPolarHBondContact O-CB 3.39Å; Q117-T121 PolarHBondContact O-N 3.46Å; Q117-T121 PolarHBondContact O-OG1 3.45Å
118D79.4Confident81.1Confident91 Ų9146.4 Ų46.449%0.48726%0.259SS..Hα-helixtrans-63.5-44.5177.9-66.7-15.6000110.6Q114 S115 T121 N122Q114-D118 PolarHBondContact NE2-OD1 3.44Å; Q114-D118 VanDerWaalsContact O-CG 3.32Å; Q114-D118 PolarHBondContact O-N 3.31Å; S115-D118 PolarHBondContact O-N 3.25Å; D118-T121 PolarHBondContact O-N 3.43Å; D118-N122 WeakPolarHBondContact O-CB 3.32Å; D118-N122 PolarHBondContact O-N 2.93Å
119L82.1Confident80.6Confident21 Ų2147.9 Ų47.911%0.1127%0.271CS..Hα-helixtrans-62.4-45.6175.2-72.7176.4000112.7I36 I39 Q40 M43 F80 S115 L116 T121 N122 F123I36-L119 HydrophobicContact CG2-CD1 3.84Å; I39-L119 HydrophobicContact CG2-CD1 4.27Å; Q40-L119 HydrophobicContact CG-CD1 3.97Å; Q40-L119 HydrophobicContact CG-CD2 3.5Å; Q40-L119 HydrophobicContact CG-CG 4.4Å; M43-L119 HydrophobicContact SD-CD2 4.3Å; F80-L119 HydrophobicContact CE1-CB 3.8Å; F80-L119 HydrophobicContact CZ-CB 3.91Å; S115-L119 VanDerWaalsContact O-CG 3.32Å; S115-L119 WeakPolarHBondContact O-CG 3.35Å; S115-L119 PolarHBondContact O-N 3.29Å; L116-L119 PolarHBondContact O-N 3.42Å; L119-T121 VanDerWaalsContact C-N 3.28Å; L119-T121 PolarHBondContact O-N 3Å; L119-N122 PolarHBondContact O-N 2.84Å; L119-F123 WeakPolarHBondContact O-CB 3.46Å; L119-F123 PolarHBondContact O-N 3.49Å
120S78.6Confident80.4Confident12 Ų1248.1 Ų48.18%0.08427%0.271CS..Hα-helixtrans-61.6-39.4176.7175.50000111.5L116 Q117 F123 R124L116-S120 VanDerWaalsContact O-CB 3.31Å; L116-S120 WeakPolarHBondContact O-CB 3.43Å; L116-S120 PolarHBondContact O-N 3.31Å; Q117-S120 PolarHBondContact O-N 2.9Å; S120-F123 PolarHBondContact O-N 3.4Å; S120-R124 WeakPolarHBondContact O-CB 3.32Å; S120-R124 VanDerWaalsContact O-CG 3.29Å; S120-R124 WeakPolarHBondContact O-CG 3.37Å; S120-R124 PolarHBondContact O-N 3.49Å; S120-R124 PolarHBondContact O-NE 3.24Å
121T75.5Confident80.2Confident41 Ų4147.5 Ų47.525%0.25227%0.265SS..Hα-helixtrans-67-43.2176.3-59.90000111.9Q117 D118 L119 R124 H125Q117-T121 WeakPolarHBondContact O-CB 3.39Å; Q117-T121 PolarHBondContact O-N 3.46Å; Q117-T121 PolarHBondContact O-OG1 3.45Å; D118-T121 PolarHBondContact O-N 3.43Å; L119-T121 VanDerWaalsContact C-N 3.28Å; L119-T121 PolarHBondContact O-N 3Å; T121-R124 PolarHBondContact O-N 2.69Å; T121-R124 PolarHBondContact OG1-NH2 3.47Å; T121-H125 PolarHBondContact O-N 3.43Å; T121-H125 VanDerWaalsContact O-N 3.08Å; T121-H125 PolarHBondContact O-ND1 2.88Å
122N81.7Confident79.8Confident89 Ų8950.8 Ų50.848%0.47627%0.27SS..Hα-helixtrans-63.6-43175.2-176.2-75.6000111.9M43 D118 L119 R124 H125 T126M43-N122 HydrophobicContact CE-CB 4.07Å; M43-N122 WeakPolarHBondContact CE-OD1 3.47Å; D118-N122 WeakPolarHBondContact O-CB 3.32Å; D118-N122 PolarHBondContact O-N 2.93Å; L119-N122 PolarHBondContact O-N 2.84Å; N122-R124 PolarHBondContact O-N 3.28Å; N122-H125 PolarHBondContact O-N 3.41Å; N122-T126 WeakPolarHBondContact O-CB 3.29Å; N122-T126 PolarHBondContact O-N 2.9Å; N122-T126 PolarHBondContact O-OG1 3.06Å; N122-T126 PolarHBondContact OD1-OG1 2.68Å
123F79.8Confident79.6Confident6 Ų656.4 Ų56.43%0.02629%0.291CS..Hα-helixtrans-58.1-48.5176.6177.6-111.5000111.4M43 L46 T73 I76 F80 L119 S120 H125 T126 Q127M43-F123 HydrophobicContact CE-CB 3.68Å; M43-F123 HydrophobicContact CE-CD2 4.46Å; M43-F123 HydrophobicContact CG-CD2 4.09Å; M43-F123 HydrophobicContact SD-CB 4.07Å; L46-F123 HydrophobicContact CD2-CD2 4.18Å; L46-F123 HydrophobicContact CD2-CE2 3.53Å; T73-F123 HydrophobicContact CG2-CZ 3.88Å; I76-F123 HydrophobicContact CB-CE2 4.04Å; I76-F123 HydrophobicContact CB-CZ 4.21Å; I76-F123 HydrophobicContact CD1-CD2 4.36Å; I76-F123 HydrophobicContact CD1-CE2 3.77Å; I76-F123 HydrophobicContact CG2-CD2 3.83Å; I76-F123 HydrophobicContact CG2-CE1 4.35Å; I76-F123 HydrophobicContact CG2-CE2 3.59Å; I76-F123 HydrophobicContact CG2-CG 4.28Å; I76-F123 HydrophobicContact CG2-CZ 3.86Å; F80-F123 HydrophobicContact CE2-CB 4.2Å; F80-F123 HydrophobicContact CE2-CD1 4.2Å; F80-F123 HydrophobicContact CE2-CG 4.17Å; F80-F123 HydrophobicContact CZ-CB 4.4Å; L119-F123 WeakPolarHBondContact O-CB 3.46Å; L119-F123 PolarHBondContact O-N 3.49Å; S120-F123 PolarHBondContact O-N 3.4Å; F123-H125 PolarHBondContact O-N 2.86Å; F123-T126 PolarHBondContact O-N 2.98Å; F123-Q127 HydrophobicContact CD2-CG 4.46Å; F123-Q127 HydrophobicContact CE1-CG 4.47Å; F123-Q127 HydrophobicContact CE2-CG 4.09Å; F123-Q127 HydrophobicContact CZ-CG 4.11Å; F123-Q127 WeakPolarHBondContact O-CB 3.33Å; F123-Q127 PolarHBondContact O-N 2.87Å
124R76.1Confident79.7Confident73 Ų7356.9 Ų56.928%0.27529%0.29SS..Hα-helixtrans-56.7-45.8175-76.6-175.3-63.4168.71113S120 T121 N122 S128 L178 N182S120-R124 WeakPolarHBondContact O-CB 3.32Å; S120-R124 VanDerWaalsContact O-CG 3.29Å; S120-R124 WeakPolarHBondContact O-CG 3.37Å; S120-R124 PolarHBondContact O-N 3.49Å; S120-R124 PolarHBondContact O-NE 3.24Å; T121-R124 PolarHBondContact O-N 2.69Å; T121-R124 PolarHBondContact OG1-NH2 3.47Å; N122-R124 PolarHBondContact O-N 3.28Å; R124-S128 VanDerWaalsContact O-CB 3.24Å; R124-S128 WeakPolarHBondContact O-CB 3.49Å; R124-S128 PolarHBondContact O-N 3.18Å; R124-S128 PolarHBondContact O-OG 2.69Å; R124-L178 HydrophobicContact CG-CD1 3.34Å; R124-L178 HydrophobicContact CG-CD2 4.14Å; R124-L178 HydrophobicContact CG-CG 4.32Å; R124-N182 PolarHBondContact NH1-ND2 3.05Å; R124-N182 VanDerWaalsContact NH1-ND2 3.18Å
125H78.3Confident79.4Confident130 Ų13059 Ų5960%0.60230%0.298SS*.Hα-helixtrans-64.7-44.9179.1-81.483.7000111.7T121 N122 F123 S128 S129T121-H125 PolarHBondContact O-N 3.43Å; T121-H125 VanDerWaalsContact O-N 3.08Å; T121-H125 PolarHBondContact O-ND1 2.88Å; N122-H125 PolarHBondContact O-N 3.41Å; F123-H125 PolarHBondContact O-N 2.86Å; H125-S128 PolarHBondContact O-N 2.9Å; H125-S129 VanDerWaalsContact O-CB 3.26Å; H125-S129 WeakPolarHBondContact O-CB 3.47Å; H125-S129 PolarHBondContact O-N 3.27Å
126T79.8Confident79.2Confident44 Ų4461.1 Ų61.127%0.2731%0.306SS..Hα-helixtrans-61.1-47.9179-60.60000111.1N122 F123 S129 Y130N122-T126 WeakPolarHBondContact O-CB 3.29Å; N122-T126 PolarHBondContact O-N 2.9Å; N122-T126 PolarHBondContact O-OG1 3.06Å; N122-T126 PolarHBondContact OD1-OG1 2.68Å; F123-T126 PolarHBondContact O-N 2.98Å; T126-S129 PolarHBondContact O-N 3.42Å; T126-Y130 WeakPolarHBondContact O-CB 3.43Å; T126-Y130 PolarHBondContact O-N 3.38Å
127Q77.6Confident79.2Confident7 Ų764.1 Ų64.13%0.03332%0.316CS..Hα-helixtrans-62.9-47.3176.4-83.4-64.1-9.100112.5L46 H50 T73 F123 S129 Y130 L131L46-Q127 VanDerWaalsContact CD2-NE2 3.29Å; H50-Q127 PolarHBondContact CE1-NE2 3.48Å; H50-Q127 PolarHBondContact NE2-NE2 2.87Å; T73-Q127 PolarHBondContact OG1-NE2 3.36Å; F123-Q127 HydrophobicContact CD2-CG 4.46Å; F123-Q127 HydrophobicContact CE1-CG 4.47Å; F123-Q127 HydrophobicContact CE2-CG 4.09Å; F123-Q127 HydrophobicContact CZ-CG 4.11Å; F123-Q127 WeakPolarHBondContact O-CB 3.33Å; F123-Q127 PolarHBondContact O-N 2.87Å; Q127-S129 VanDerWaalsContact C-N 3.32Å; Q127-S129 PolarHBondContact O-N 2.94Å; Q127-Y130 PolarHBondContact O-N 3.39Å; Q127-L131 WeakPolarHBondContact O-CG 3.36Å; Q127-L131 PolarHBondContact O-N 3.41Å
128S74.9Confident78.9Confident76 Ų7663.1 Ų63.153%0.53131%0.311SS..Hα-helixtrans-61.7-41179.6-59.30000112.1R124 H125 K132R124-S128 VanDerWaalsContact O-CB 3.24Å; R124-S128 WeakPolarHBondContact O-CB 3.49Å; R124-S128 PolarHBondContact O-N 3.18Å; R124-S128 PolarHBondContact O-OG 2.69Å; H125-S128 PolarHBondContact O-N 2.9Å; S128-K132 WeakPolarHBondContact O-CB 3.33Å; S128-K132 PolarHBondContact O-N 3.22Å
129S80.5Confident78.7Confident71 Ų7162.6 Ų62.650%0.49731%0.306SS..Hα-helixtrans-62.6-46.1176-176.80000111.5H125 T126 Q127 K132 R133H125-S129 VanDerWaalsContact O-CB 3.26Å; H125-S129 WeakPolarHBondContact O-CB 3.47Å; H125-S129 PolarHBondContact O-N 3.27Å; T126-S129 PolarHBondContact O-N 3.42Å; Q127-S129 VanDerWaalsContact C-N 3.32Å; Q127-S129 PolarHBondContact O-N 2.94Å; S129-K132 PolarHBondContact O-N 2.99Å; S129-R133 WeakPolarHBondContact O-CG 3.25Å; S129-R133 PolarHBondContact O-N 3.2Å
130Y81.5Confident78.3Confident14 Ų1470.8 Ų70.86%0.05534%0.336CS..Hα-helixtrans-59.2-51.7177166.3-105.7000112.2H50 H53 M54 I69 T126 Q127 K132 R133 M134H50-Y130 HydrophobicContact CB-CD2 3.52Å; H50-Y130 HydrophobicContact CB-CE2 3.85Å; H50-Y130 HydrophobicContact CB-CG 4.16Å; H50-Y130 AromaticContact CD2-CD1 3.69Å; H50-Y130 AromaticContact CD2-CD2 3.63Å; H50-Y130 AromaticContact CD2-CE1 3.77Å; H50-Y130 AromaticContact CD2-CE2 3.66Å; H50-Y130 AromaticContact CD2-CG 3.62Å; H50-Y130 AromaticContact CD2-CZ 3.75Å; H50-Y130 AromaticContact CE1-CD1 3.9Å; H50-Y130 AromaticContact CE1-CG 3.8Å; H50-Y130 AromaticContact CG-CD2 3.45Å; H50-Y130 VanDerWaalsContact CG-CD2 3.45Å; H50-Y130 AromaticContact CG-CE2 3.85Å; H50-Y130 AromaticContact CG-CG 3.6Å; H50-Y130 AromaticContact ND1-CG 3.72Å; H50-Y130 AromaticContact NE2-CD1 3.53Å; H50-Y130 AromaticContact NE2-CE1 3.85Å; H50-Y130 AromaticContact NE2-CG 3.76Å; H53-Y130 PolarHBondContact CE1-OH 3.22Å; H53-Y130 AromaticContact ND1-CZ 3.82Å; H53-Y130 PolarHBondContact ND1-OH 3.15Å; M54-Y130 HydrophobicContact CE-CD2 4.14Å; M54-Y130 HydrophobicContact CE-CE2 3.38Å; M54-Y130 HydrophobicContact CG-CD2 4.42Å; M54-Y130 HydrophobicContact CG-CE2 4.39Å; M54-Y130 HydrophobicContact SD-CD2 4.36Å; M54-Y130 HydrophobicContact SD-CE2 4.18Å; I69-Y130 WeakPolarHBondContact CD1-OH 3.48Å; I69-Y130 HydrophobicContact CG2-CE1 4.39Å; T126-Y130 WeakPolarHBondContact O-CB 3.43Å; T126-Y130 PolarHBondContact O-N 3.38Å; Q127-Y130 PolarHBondContact O-N 3.39Å; Y130-K132 VanDerWaalsContact C-N 3.3Å; Y130-K132 PolarHBondContact O-N 2.93Å; Y130-R133 WeakPolarHBondContact O-CB 3.44Å; Y130-R133 PolarHBondContact O-N 2.8Å; Y130-R133 VanDerWaalsContact O-N 3.09Å; Y130-M134 HydrophobicContact CE1-CG 4.41Å; Y130-M134 HydrophobicContact CE2-CG 4.07Å; Y130-M134 PolarHBondContact O-N 3.36Å
131L78.1Confident77.9Confident20 Ų2072.4 Ų72.411%0.10535%0.347CS..Hα-helixtrans-60.6-38.8178.7-67.4175.8000112.2Q127 M134 K135Q127-L131 WeakPolarHBondContact O-CG 3.36Å; Q127-L131 PolarHBondContact O-N 3.41Å; L131-M134 WeakPolarHBondContact O-CB 3.21Å; L131-M134 PolarHBondContact O-N 3.13Å; L131-K135 PolarHBondContact O-N 2.94Å
132K78.5Confident77.4Confident144 Ų14475.4 Ų75.463%0.62636%0.357SS*.Hα-helixtrans-63.3-42175.1-173.1176.9-178.4179.40111.8S128 S129 Y130 K135 N136S128-K132 WeakPolarHBondContact O-CB 3.33Å; S128-K132 PolarHBondContact O-N 3.22Å; S129-K132 PolarHBondContact O-N 2.99Å; Y130-K132 VanDerWaalsContact C-N 3.3Å; Y130-K132 PolarHBondContact O-N 2.93Å; K132-K135 PolarHBondContact O-N 2.95Å; K132-N136 PolarHBondContact O-N 3.49Å; K132-N136 PolarHBondContact O-OD1 2.84Å
133R83.1Confident76.6Confident123 Ų12377.8 Ų77.846%0.46436%0.364SS..Hα-helixtrans-63.7-41.8176.1-72.6175.565.5-168.8-0.8111.6M54 S129 Y130 N136 R137M54-R133 HydrophobicContact SD-CB 4.27Å; S129-R133 WeakPolarHBondContact O-CG 3.25Å; S129-R133 PolarHBondContact O-N 3.2Å; Y130-R133 WeakPolarHBondContact O-CB 3.44Å; Y130-R133 PolarHBondContact O-N 2.8Å; Y130-R133 VanDerWaalsContact O-N 3.09Å; R133-N136 PolarHBondContact O-N 3.12Å; R133-R137 PolarHBondContact O-N 3.44Å
134M81.9Confident75.7Confident30 Ų3085 Ų8515%0.14840%0.396CS..Hα-helixtrans-58-52174.6-87.2-62.8-73.400112M54 Y130 L131 N136 R137 E138M54-M134 HydrophobicContact CE-CG 3.5Å; M54-M134 VanDerWaalsContact CE-CG 3.5Å; M54-M134 HydrophobicContact CE-SD 3.05Å; M54-M134 WeakPolarHBondContact CE-SD 3.27Å; M54-M134 HydrophobicContact SD-CG 3.98Å; M54-M134 HydrophobicContact SD-SD 3.88Å; Y130-M134 HydrophobicContact CE1-CG 4.41Å; Y130-M134 HydrophobicContact CE2-CG 4.07Å; Y130-M134 PolarHBondContact O-N 3.36Å; L131-M134 WeakPolarHBondContact O-CB 3.21Å; L131-M134 PolarHBondContact O-N 3.13Å; M134-N136 VanDerWaalsContact C-N 3.31Å; M134-N136 PolarHBondContact O-N 3.39Å; M134-R137 WeakPolarHBondContact O-CB 3.2Å; M134-R137 PolarHBondContact O-N 2.96Å; M134-R137 VanDerWaalsContact O-N 3.13Å; M134-E138 PolarHBondContact O-N 3.37Å; M134-E138 VanDerWaalsContact O-N 3.08Å
135K75.4Confident75Confident117 Ų11787.3 Ų87.351%0.50941%0.409SS..Hα-helixtrans-56.8-44.9178.4-167.6-173.8-174.2-110.70112.1L131 K132 R137 E138 E139L131-K135 PolarHBondContact O-N 2.94Å; K132-K135 PolarHBondContact O-N 2.95Å; K135-R137 VanDerWaalsContact C-N 3.34Å; K135-R137 PolarHBondContact O-N 3.4Å; K135-E138 WeakPolarHBondContact O-CB 3.47Å; K135-E138 PolarHBondContact O-N 3.02Å; K135-E139 WeakPolarHBondContact CE-OE1 3.48Å; K135-E139 IonicContact NZ-OE1 2.68Å; K135-E139 PolarHBondContact NZ-OE1 2.89Å; K135-E139 WeakPolarHBondContact O-CG 3.17Å; K135-E139 PolarHBondContact O-N 3Å
136N80.6Confident74Confident83 Ų8387.3 Ų87.344%0.44441%0.413SS..Hα-helixtrans-65.3-36.2179.4-68.5-3.4000112.6K132 R133 M134 E138 R140K132-N136 PolarHBondContact O-N 3.49Å; K132-N136 PolarHBondContact O-OD1 2.84Å; R133-N136 PolarHBondContact O-N 3.12Å; M134-N136 VanDerWaalsContact C-N 3.31Å; M134-N136 PolarHBondContact O-N 3.39Å; N136-E138 VanDerWaalsContact C-N 3.35Å; N136-R140 WeakPolarHBondContact O-CB 3.4Å; N136-R140 PolarHBondContact O-N 2.9Å
137R81Confident72.8Confident83 Ų8390.1 Ų90.131%0.31343%0.434SS..Hα-helixtrans-63.3-43.4175.6180-178.4-179.8-94.29.2110.7R56 R133 M134 K135 S141R56-R137 PolarHBondContact O-NH2 3.23Å; R133-R137 PolarHBondContact O-N 3.44Å; M134-R137 WeakPolarHBondContact O-CB 3.2Å; M134-R137 PolarHBondContact O-N 2.96Å; M134-R137 VanDerWaalsContact O-N 3.13Å; K135-R137 VanDerWaalsContact C-N 3.34Å; K135-R137 PolarHBondContact O-N 3.4Å; R137-S141 PolarHBondContact O-N 2.94Å
138E72.8Confident71.5Confident50 Ų5092.1 Ų92.123%0.23446%0.457CS..Hα-helixtrans-66.2-48.2178.7-170.3-166.2143.700112.2M134 K135 N136 R140 S141 K142 Y160M134-E138 PolarHBondContact O-N 3.37Å; M134-E138 VanDerWaalsContact O-N 3.08Å; K135-E138 WeakPolarHBondContact O-CB 3.47Å; K135-E138 PolarHBondContact O-N 3.02Å; N136-E138 VanDerWaalsContact C-N 3.35Å; E138-R140 VanDerWaalsContact C-N 3.29Å; E138-R140 PolarHBondContact O-N 2.73Å; E138-S141 WeakPolarHBondContact O-CB 3.37Å; E138-S141 PolarHBondContact O-N 3.08Å; E138-S141 VanDerWaalsContact O-N 3.1Å; E138-K142 PolarHBondContact O-N 3.46Å; E138-Y160 HydrophobicContact CG-CE2 3.87Å; E138-Y160 WeakPolarHBondContact OE1-CE2 3.48Å; E138-Y160 PolarHBondContact OE1-OH 3.48Å
139E74Confident70.5Confident81 Ų8194.2 Ų94.238%0.37947%0.469SS..Hα-helixtrans-56.6-43.3176.8-75.2175.4177.300111.7K135 K142 H143K135-E139 WeakPolarHBondContact CE-OE1 3.48Å; K135-E139 IonicContact NZ-OE1 2.68Å; K135-E139 PolarHBondContact NZ-OE1 2.89Å; K135-E139 WeakPolarHBondContact O-CG 3.17Å; K135-E139 PolarHBondContact O-N 3Å; E139-K142 PolarHBondContact O-N 3.26Å; E139-H143 PolarHBondContact O-CD2 3.41Å; E139-H143 VanDerWaalsContact O-CD2 3.24Å; E139-H143 PolarHBondContact O-N 3.37Å
140R75.1Confident69.2Low192 Ų19298.1 Ų98.173%0.72548%0.483SS*.Hα-helixtrans-67.6-37.3177.5-171.7174.165.5-176.91.4112.5N136 E138N136-R140 WeakPolarHBondContact O-CB 3.4Å; N136-R140 PolarHBondContact O-N 2.9Å; E138-R140 VanDerWaalsContact C-N 3.29Å; E138-R140 PolarHBondContact O-N 2.73Å
141S69.7Low67.7Low47 Ų47105.2 Ų105.233%0.32952%0.519SS..Hα-helixtrans-62.4-47.5174.4-169.90000110.5R137 E138 H143 F144 F145R137-S141 PolarHBondContact O-N 2.94Å; E138-S141 WeakPolarHBondContact O-CB 3.37Å; E138-S141 PolarHBondContact O-N 3.08Å; E138-S141 VanDerWaalsContact O-N 3.1Å; S141-H143 PolarHBondContact O-N 2.63Å; S141-F144 WeakPolarHBondContact O-CB 3.03Å; S141-F144 PolarHBondContact O-N 2.77Å; S141-F145 WeakPolarHBondContact O-CD2 3.28Å; S141-F145 PolarHBondContact O-N 2.98Å; S141-F145 WeakPolarHBondContact OG-CE2 3.41Å
142K65.3Low66.4Low104 Ų104112.4 Ų112.445%0.45255%0.552SS.*Hα-helixtrans-58.6-43.9-179.1-172.5174.3-178.9173.40112.8E138 E139 F144 F145 D146E138-K142 PolarHBondContact O-N 3.46Å; E139-K142 PolarHBondContact O-N 3.26Å; K142-F144 PolarHBondContact O-N 3.18Å; K142-F145 PolarHBondContact O-N 2.88Å; K142-D146 VanDerWaalsContact O-CB 3.26Å; K142-D146 WeakPolarHBondContact O-CB 3.39Å; K142-D146 PolarHBondContact O-N 2.76Å
143H64.8Low65.3Low138 Ų138113.8 Ų113.864%0.63956%0.561SS**Hα-helixtrans-59.6-29.3176.3-83.9-65.6000113.8E139 S141 S147E139-H143 PolarHBondContact O-CD2 3.41Å; E139-H143 VanDerWaalsContact O-CD2 3.24Å; E139-H143 PolarHBondContact O-N 3.37Å; S141-H143 PolarHBondContact O-N 2.63Å; H143-S147 PolarHBondContact O-OG 2.75Å
144F60.7Low63.9Low158 Ų158114.9 Ų114.969%0.69358%0.576SS**Hα-helixtrans-73.9-39.8178.2-173.7-96.9000112S141 K142S141-F144 WeakPolarHBondContact O-CB 3.03Å; S141-F144 PolarHBondContact O-N 2.77Å; K142-F144 PolarHBondContact O-N 3.18Å
145F62.4Low62.6Low122 Ų122121.9 Ų121.954%0.53561%0.608SS.*Hα-helixtrans-83-32.7-179.2-67.1-75.8000113.5S141 K142 S147 G148S141-F145 WeakPolarHBondContact O-CD2 3.28Å; S141-F145 PolarHBondContact O-N 2.98Å; S141-F145 WeakPolarHBondContact OG-CE2 3.41Å; K142-F145 PolarHBondContact O-N 2.88Å; F145-S147 PolarHBondContact O-N 3.23Å; F145-S147 VanDerWaalsContact O-N 3.15Å; F145-G148 PolarHBondContact O-N 3.43Å
146D55.6Low61.5Low130 Ų130121.9 Ų121.970%0.69561%0.61SS**THydrogen-bonded Turntrans-67.4-12.5177.2-163.639.5000113.3K142K142-D146 VanDerWaalsContact O-CB 3.26Å; K142-D146 WeakPolarHBondContact O-CB 3.39Å; K142-D146 PolarHBondContact O-N 2.76Å
147S55.5Low60.2Low102 Ų102124.1 Ų124.171%0.71362%0.621SS**THydrogen-bonded Turntrans-94.72-179.9-570000114.3H143 F145H143-S147 PolarHBondContact O-OG 2.75Å; F145-S147 PolarHBondContact O-N 3.23Å; F145-S147 VanDerWaalsContact O-N 3.15Å
148G50.8Low59.1Low50 Ų50123.1 Ų123.152%0.51563%0.631SS.*SBendtrans-110134.2-177.300000113F145F145-G148 PolarHBondContact O-N 3.43Å
149P53.9Low58.3Low120 Ų120125.9 Ų125.978%0.77965%0.646SS**  trans-79.2129.1172.731.3-28.3000109.9
150L52.8Low57.4Low153 Ų153125 Ų12580%0.80164%0.64SS**  trans86.1110.7166.7-48.2168.7000116.1
151M50.7Low56.4Low163 Ų163121.2 Ų121.280%0.80363%0.634SS**  164.6122.2112.6-79.7-58.5-167.500111.9
152E51Low55.8Low171 Ų171126.9 Ų126.980%0.79965%0.653SS**  trans56.8104.2151.9-60.4-176.5176.400120.7
153E53.8Low55.4Low173 Ų173123.6 Ų123.681%0.80864%0.641SS**SBendtrans-91.2-2.5-159.4-66.4174.5153.100116.9
154D54Low54.9Low145 Ų145123.8 Ų123.878%0.77564%0.637SS**SBendtrans-102.2-30.6-163.5-73-33.9000116.6
155E54.8Low54.6Low177 Ų177117.6 Ų117.683%0.82762%0.617SS**Hα-helixtrans-87.6-34.2-179.1-81.5-174.6164.300113.5A158 L159E155-A158 PolarHBondContact O-N 3Å; E155-L159 PolarHBondContact O-N 3.03Å
156E52.1Low54.2Low118 Ų118114.2 Ų114.255%0.55160%0.603SS**Hα-helixtrans-69.9-35.6-179.5-166.6179.5168.200111.8A158 L159 Y160E156-A158 VanDerWaalsContact C-N 3.34Å; E156-A158 PolarHBondContact O-N 3.38Å; E156-L159 PolarHBondContact O-N 3.42Å; E156-Y160 VanDerWaalsContact O-CB 3.31Å; E156-Y160 WeakPolarHBondContact O-CB 3.41Å; E156-Y160 PolarHBondContact O-N 2.97Å
157L54.5Low54.1Low129 Ų129109.8 Ų109.868%0.67558%0.581SS**Hα-helixtrans-66.4-36.4179.5-149.578.4000111.9D161L157-D161 WeakPolarHBondContact O-CB 3.24Å; L157-D161 PolarHBondContact O-N 3.42Å
158A57Low53.5Low63 Ų63112.4 Ų112.452%0.52158%0.58SS.*Hα-helixtrans-69.9-38.1177.800000112.3E155 E156 K162E155-A158 PolarHBondContact O-N 3Å; E156-A158 VanDerWaalsContact C-N 3.34Å; E156-A158 PolarHBondContact O-N 3.38Å; A158-K162 VanDerWaalsContact O-CB 3.29Å; A158-K162 WeakPolarHBondContact O-CB 3.37Å; A158-K162 PolarHBondContact O-N 3.17Å
159L55Low53.5Low107 Ų107117.7 Ų117.756%0.5658%0.584SS**Hα-helixtrans-69-42.1175-174.363.1000111.1E155 E156 D161 K162 V163E155-L159 PolarHBondContact O-N 3.03Å; E156-L159 PolarHBondContact O-N 3.42Å; L159-D161 PolarHBondContact O-N 3.17Å; L159-K162 PolarHBondContact O-N 3.34Å; L159-V163 HydrophobicContact CD1-CG2 4.46Å; L159-V163 VanDerWaalsContact O-CG2 3.31Å; L159-V163 WeakPolarHBondContact O-CG2 3.17Å; L159-V163 PolarHBondContact O-N 2.92Å
160Y56.6Low53.5Low63 Ų63112.6 Ų112.625%0.24755%0.551CS.*Hα-helixtrans-62.3-42.7177.1-159.2-94000112.1E138 E156 R164E138-Y160 HydrophobicContact CG-CE2 3.87Å; E138-Y160 WeakPolarHBondContact OE1-CE2 3.48Å; E138-Y160 PolarHBondContact OE1-OH 3.48Å; E156-Y160 VanDerWaalsContact O-CB 3.31Å; E156-Y160 WeakPolarHBondContact O-CB 3.41Å; E156-Y160 PolarHBondContact O-N 2.97Å; Y160-R164 WeakPolarHBondContact O-CB 3.21Å; Y160-R164 PolarHBondContact O-N 3Å
161D54.4Low53.2Low113 Ų113109.9 Ų109.960%0.60453%0.533SS*.Hα-helixtrans-70-35.5177.7-160.450.7000112.3L157 L159 G165L157-D161 WeakPolarHBondContact O-CB 3.24Å; L157-D161 PolarHBondContact O-N 3.42Å; L159-D161 PolarHBondContact O-N 3.17Å; D161-G165 PolarHBondContact O-N 2.95Å
162K57.1Low52.9Low166 Ų166104.9 Ų104.972%0.72252%0.515SS*.Hα-helixtrans-68.2-43.6176.7-165.3172.8-175-177.90112.5A158 L159 G165 F166A158-K162 VanDerWaalsContact O-CB 3.29Å; A158-K162 WeakPolarHBondContact O-CB 3.37Å; A158-K162 PolarHBondContact O-N 3.17Å; L159-K162 PolarHBondContact O-N 3.34Å; K162-G165 PolarHBondContact O-N 3.24Å; K162-F166 PolarHBondContact O-N 3.09Å
163V56.8Low52.8Low34 Ų34101 Ų10121%0.20650%0.497CS..Hα-helixtrans-67.9-40.9176.3173.40000111L159 G165 F166 C167L159-V163 HydrophobicContact CD1-CG2 4.46Å; L159-V163 VanDerWaalsContact O-CG2 3.31Å; L159-V163 WeakPolarHBondContact O-CG2 3.17Å; L159-V163 PolarHBondContact O-N 2.92Å; V163-G165 VanDerWaalsContact C-N 3.33Å; V163-G165 PolarHBondContact O-N 2.98Å; V163-F166 PolarHBondContact O-N 3.45Å; V163-C167 WeakPolarHBondContact O-CB 3.09Å; V163-C167 PolarHBondContact O-N 3.26Å
164R53Low52.4Low142 Ų14294.2 Ų94.254%0.53647%0.468SS..Hα-helixtrans-57.7-46.6169.5-101.4-167.6-176.8-179.42.7111.9Y160 F166 C167 F168Y160-R164 WeakPolarHBondContact O-CB 3.21Å; Y160-R164 PolarHBondContact O-N 3Å; R164-F166 VanDerWaalsContact C-N 3.3Å; R164-F166 PolarHBondContact O-N 3.36Å; R164-C167 PolarHBondContact O-N 3.33Å; R164-F168 WeakPolarHBondContact O-CB 3.31Å; R164-F168 PolarHBondContact O-N 3.04Å
165G54.4Low52.2Low28 Ų2895.5 Ų95.529%0.28946%0.462SS..Hα-helixtrans-60.4-40.1179.800000112.1D161 K162 V163 R169D161-G165 PolarHBondContact O-N 2.95Å; K162-G165 PolarHBondContact O-N 3.24Å; V163-G165 VanDerWaalsContact C-N 3.33Å; V163-G165 PolarHBondContact O-N 2.98Å; G165-R169 WeakPolarHBondContact O-CB 3.5Å; G165-R169 PolarHBondContact O-N 3.38Å
166F53.6Low51.6Low52 Ų5291.1 Ų91.123%0.22845%0.448CS..Hα-helixtrans-66.7-51.3175.1-178.3-96.7000112.2E70 K162 V163 R164 F168 R169 Q170E70-F166 HydrophobicContact CB-CE2 4.17Å; E70-F166 HydrophobicContact CB-CZ 4.01Å; E70-F166 HydrophobicContact CG-CE2 4.23Å; E70-F166 HydrophobicContact CG-CZ 4.42Å; E70-F166 WeakPolarHBondContact OE2-CE2 3.24Å; K162-F166 PolarHBondContact O-N 3.09Å; V163-F166 PolarHBondContact O-N 3.45Å; R164-F166 VanDerWaalsContact C-N 3.3Å; R164-F166 PolarHBondContact O-N 3.36Å; F166-F168 VanDerWaalsContact C-N 3.33Å; F166-F168 PolarHBondContact O-N 2.98Å; F166-R169 PolarHBondContact O-N 3Å; F166-Q170 WeakPolarHBondContact O-CB 3.38Å; F166-Q170 PolarHBondContact O-N 2.83Å
167C53.6Low51.4Low37 Ų3786.6 Ų86.625%0.2543%0.43CS..Hα-helixtrans-62.3-39.7-179.8-168.60000112V163 R164 Q171V163-C167 WeakPolarHBondContact O-CB 3.09Å; V163-C167 PolarHBondContact O-N 3.26Å; R164-C167 PolarHBondContact O-N 3.33Å; C167-Q171 WeakPolarHBondContact O-CB 3.48Å; C167-Q171 PolarHBondContact O-N 3.37Å
168F44.2Very low51.1Low156 Ų15681.9 Ų81.968%0.68441%0.406SS*.Hα-helixtrans-67.8-39.8176.3-166.9-94.8000112.1R164 F166 S172R164-F168 WeakPolarHBondContact O-CB 3.31Å; R164-F168 PolarHBondContact O-N 3.04Å; F166-F168 VanDerWaalsContact C-N 3.33Å; F166-F168 PolarHBondContact O-N 2.98Å; F168-S172 VanDerWaalsContact O-CB 3.22Å; F168-S172 WeakPolarHBondContact O-CB 3.32Å; F168-S172 PolarHBondContact O-N 3.33Å
169R51.1Low50.6Low161 Ų16184 Ų8461%0.60841%0.407SS*.Hα-helixtrans-70.1-43.5178.6-157.3179.6-54-147.53.2111.6G165 F166 Q171 S172 E173G165-R169 WeakPolarHBondContact O-CB 3.5Å; G165-R169 PolarHBondContact O-N 3.38Å; F166-R169 PolarHBondContact O-N 3Å; R169-Q171 PolarHBondContact O-N 3.47Å; R169-S172 WeakPolarHBondContact O-CB 3.2Å; R169-S172 PolarHBondContact O-N 2.94Å; R169-E173 WeakPolarHBondContact O-CB 3.48Å; R169-E173 WeakPolarHBondContact O-CG 3.49Å; R169-E173 PolarHBondContact O-N 2.88Å
170Q52.9Low50.3Low14 Ų1486.8 Ų86.87%0.06542%0.418CS..Hα-helixtrans-64.7-38.1175.3-171161.459.400112.4F166 S174F166-Q170 WeakPolarHBondContact O-CB 3.38Å; F166-Q170 PolarHBondContact O-N 2.83Å; Q170-S174 VanDerWaalsContact O-CB 3.22Å; Q170-S174 WeakPolarHBondContact O-CB 3.46Å; Q170-S174 PolarHBondContact O-N 2.85Å; Q170-S174 PolarHBondContact O-OG 2.98Å
171Q47.3Very low49.7Very low95 Ų9585.4 Ų85.444%0.44441%0.414SS..Hα-helixtrans-71.6-33.8175.8-173.4165.463.100113C167 R169 R175C167-Q171 WeakPolarHBondContact O-CB 3.48Å; C167-Q171 PolarHBondContact O-N 3.37Å; R169-Q171 PolarHBondContact O-N 3.47Å; Q171-R175 WeakPolarHBondContact O-CB 3.22Å; Q171-R175 WeakPolarHBondContact O-CG 3.43Å; Q171-R175 PolarHBondContact O-N 3.38Å; Q171-R175 VanDerWaalsContact O-N 3.17Å
172S44.3Very low49.7Very low58 Ų5881.9 Ų81.941%0.40640%0.396SS..Hα-helixtrans-65.9-50.4173.1154.90000111.7F168 R169 R175 T176F168-S172 VanDerWaalsContact O-CB 3.22Å; F168-S172 WeakPolarHBondContact O-CB 3.32Å; F168-S172 PolarHBondContact O-N 3.33Å; R169-S172 WeakPolarHBondContact O-CB 3.2Å; R169-S172 PolarHBondContact O-N 2.94Å; S172-R175 PolarHBondContact O-N 3.2Å; S172-T176 PolarHBondContact O-N 2.95Å; S172-T176 PolarHBondContact O-OG1 2.94Å
173E47.1Very low49.3Very low90 Ų9078.4 Ų78.442%0.42139%0.385SS..Hα-helixtrans-68.9-38.7-178.3-72.6173.3-176.700112.5R169 R175 T176 A177R169-E173 WeakPolarHBondContact O-CB 3.48Å; R169-E173 WeakPolarHBondContact O-CG 3.49Å; R169-E173 PolarHBondContact O-N 2.88Å; E173-R175 VanDerWaalsContact C-N 3.29Å; E173-R175 PolarHBondContact O-N 3.28Å; E173-T176 WeakPolarHBondContact CA-OG1 3.4Å; E173-T176 PolarHBondContact O-N 3.46Å; E173-T176 PolarHBondContact O-OG1 3.38Å; E173-A177 WeakPolarHBondContact O-CB 3.05Å; E173-A177 PolarHBondContact O-N 3.27Å
174S46.7Very low48.9Very low30 Ų3083.5 Ų83.521%0.2141%0.411CS..Hα-helixtrans-61.2-38.7171.1-620000111.3Q170 L178Q170-S174 VanDerWaalsContact O-CB 3.22Å; Q170-S174 WeakPolarHBondContact O-CB 3.46Å; Q170-S174 PolarHBondContact O-N 2.85Å; Q170-S174 PolarHBondContact O-OG 2.98Å; S174-L178 WeakPolarHBondContact O-CB 3.48Å; S174-L178 WeakPolarHBondContact O-CD1 3.31Å; S174-L178 WeakPolarHBondContact O-CG 3.36Å; S174-L178 PolarHBondContact O-N 3.04Å
175R48.7Very low48.8Very low173 Ų17381.6 Ų81.665%0.65340%0.404SS*.Hα-helixtrans-71.2-41.2177.9-83172.272.8157.5-0.1112.7Q171 S172 E173 L179Q171-R175 WeakPolarHBondContact O-CB 3.22Å; Q171-R175 WeakPolarHBondContact O-CG 3.43Å; Q171-R175 PolarHBondContact O-N 3.38Å; Q171-R175 VanDerWaalsContact O-N 3.17Å; S172-R175 PolarHBondContact O-N 3.2Å; E173-R175 VanDerWaalsContact C-N 3.29Å; E173-R175 PolarHBondContact O-N 3.28Å; R175-L179 WeakPolarHBondContact O-CB 3.39Å; R175-L179 VanDerWaalsContact O-CD1 3.32Å; R175-L179 WeakPolarHBondContact O-CD1 3.26Å; R175-L179 WeakPolarHBondContact O-CG 3.38Å; R175-L179 PolarHBondContact O-N 3.29Å
176T43.5Very low48.4Very low85 Ų8582.1 Ų82.152%0.52140%0.402SS..Hα-helixtrans-76.7-36.6-176.143.70000113.3S172 E173S172-T176 PolarHBondContact O-N 2.95Å; S172-T176 PolarHBondContact O-OG1 2.94Å; E173-T176 WeakPolarHBondContact CA-OG1 3.4Å; E173-T176 PolarHBondContact O-N 3.46Å; E173-T176 PolarHBondContact O-OG1 3.38Å
177A48.3Very low48.1Very low23 Ų2384 Ų8419%0.1941%0.413CS..Hα-helixtrans-71.2-32.1176.100000113T77 E173T77-A177 HydrophobicContact CG2-CB 4.26Å; E173-A177 WeakPolarHBondContact O-CB 3.05Å; E173-A177 PolarHBondContact O-N 3.27Å
178L47.8Very low47.9Very low30 Ų3085.1 Ų85.116%0.15742%0.422CS..Hα-helixtrans-86.8-21-176.9-68.7167000114.3R124 S174 N182R124-L178 HydrophobicContact CG-CD1 3.34Å; R124-L178 HydrophobicContact CG-CD2 4.14Å; R124-L178 HydrophobicContact CG-CG 4.32Å; S174-L178 WeakPolarHBondContact O-CB 3.48Å; S174-L178 WeakPolarHBondContact O-CD1 3.31Å; S174-L178 WeakPolarHBondContact O-CG 3.36Å; S174-L178 PolarHBondContact O-N 3.04Å; L178-N182 PolarHBondContact O-ND2 3.44Å
179L46.7Very low48Very low106 Ų10679.7 Ų79.756%0.55540%0.403SS*.Hα-helixtrans-75.6-32174.3-77.4167.8000112.3R175 L181R175-L179 WeakPolarHBondContact O-CB 3.39Å; R175-L179 VanDerWaalsContact O-CD1 3.32Å; R175-L179 WeakPolarHBondContact O-CD1 3.26Å; R175-L179 WeakPolarHBondContact O-CG 3.38Å; R175-L179 PolarHBondContact O-N 3.29Å; L179-L181 PolarHBondContact O-N 3.08Å
180Q48.4Very low47.7Very low167 Ų16775.6 Ų75.678%0.7839%0.39SS*.Hα-helixtrans-72-18.2175.1-68.7-172.3-25.900113.6
181L44.3Very low47.6Very low33 Ų3383.1 Ų83.117%0.17342%0.418CS..Hα-helixtrans-93.8-23-177.1-112.2163.6000113.5Q84 L179Q84-L181 VanDerWaalsContact CD-CD2 3.4Å; Q84-L181 HydrophobicContact CG-CD2 4.15Å; L179-L181 PolarHBondContact O-N 3.08Å
182N53.2Low47.5Very low39 Ų3982 Ų8221%0.20942%0.418CS..Hα-helixtrans-89.8-34-174.1-83.2-67000114.8R124 L178 I187R124-N182 PolarHBondContact NH1-ND2 3.05Å; R124-N182 VanDerWaalsContact NH1-ND2 3.18Å; L178-N182 PolarHBondContact O-ND2 3.44Å; N182-I187 WeakPolarHBondContact O-CD1 3.17Å
183D48.8Very low47.5Very low94 Ų9483.3 Ų83.350%0.50342%0.416SS..THydrogen-bonded Turntrans-99.9-29.6-158.1-67.4-22.3000116.1
184D49Very low47.2Very low140 Ų14084 Ų8475%0.74942%0.422SS*.THydrogen-bonded Turntrans-108.1-27.3-168-74.4-22.2000117S188D184-S188 WeakPolarHBondContact O-CB 3.35Å
185Y50.1Low47.2Very low102 Ų10289.5 Ų89.540%0.444%0.442SS..THydrogen-bonded Turntrans-105-45.4-173-158-98.9000114.4T88 Q91 S189T88-Y185 HydrophobicContact CG2-CE1 4.48Å; T88-Y185 WeakPolarHBondContact CG2-OH 3.4Å; T88-Y185 WeakPolarHBondContact OG1-CE1 3.27Å; Q91-Y185 PolarHBondContact OE1-OH 3.11Å; Y185-S189 PolarHBondContact O-N 3.13Å
186V46.5Very low46.9Very low39 Ų3986.1 Ų86.124%0.23644%0.437CS..Hα-helixtrans-72.9-48.1-176.3179.30000110.3S188 S189 F190V186-S188 VanDerWaalsContact C-N 3.3Å; V186-S188 PolarHBondContact O-N 3.03Å; V186-S189 PolarHBondContact O-N 3.39Å; V186-F190 HydrophobicContact CG1-CD2 3.89Å; V186-F190 HydrophobicContact CG1-CE2 3.9Å; V186-F190 VanDerWaalsContact O-CD2 3.28Å; V186-F190 WeakPolarHBondContact O-CD2 3.17Å; V186-F190 PolarHBondContact O-N 3.06Å
187I48.2Very low46.6Very low91 Ų9184.2 Ų84.247%0.46743%0.427SS..Hα-helixtrans-63-37.4175.2-61176.8000111.1N182 F190 R191N182-I187 WeakPolarHBondContact O-CD1 3.17Å; I187-F190 PolarHBondContact O-N 2.95Å; I187-R191 WeakPolarHBondContact O-CB 3.46Å; I187-R191 PolarHBondContact O-N 2.99Å
188S48.3Very low46.3Very low62 Ų6288.7 Ų88.743%0.43445%0.447SS..Hα-helixtrans-67.1-41.5177.4-175.40000112.7D184 V186 R191 T192D184-S188 WeakPolarHBondContact O-CB 3.35Å; V186-S188 VanDerWaalsContact C-N 3.3Å; V186-S188 PolarHBondContact O-N 3.03Å; S188-R191 PolarHBondContact O-N 3.43Å; S188-T192 VanDerWaalsContact O-CB 3.23Å; S188-T192 WeakPolarHBondContact O-CB 3.29Å; S188-T192 PolarHBondContact O-N 3.37Å; S188-T192 PolarHBondContact O-OG1 3.34Å
189S46.7Very low46.1Very low42 Ų4293 Ų9329%0.29447%0.465SS..Hα-helixtrans-64.1-45173-94.90000112Y185 V186 F193Y185-S189 PolarHBondContact O-N 3.13Å; V186-S189 PolarHBondContact O-N 3.39Å; S189-F193 WeakPolarHBondContact O-CB 3.43Å; S189-F193 PolarHBondContact O-N 3.37Å
190F44.9Very low46Very low74 Ų7493.2 Ų93.233%0.32547%0.466SS..Hα-helixtrans-65-39.2177-86.7-78000113V186 I187 F193 L194V186-F190 HydrophobicContact CG1-CD2 3.89Å; V186-F190 HydrophobicContact CG1-CE2 3.9Å; V186-F190 VanDerWaalsContact O-CD2 3.28Å; V186-F190 WeakPolarHBondContact O-CD2 3.17Å; V186-F190 PolarHBondContact O-N 3.06Å; I187-F190 PolarHBondContact O-N 2.95Å; F190-F193 PolarHBondContact O-N 3.46Å; F190-L194 PolarHBondContact O-N 3.29Å
191R49.9Very low45.7Very low173 Ų17389.5 Ų89.565%0.65346%0.455SS*.Hα-helixtrans-75-32.7-179.7-160.8176-172.2-177.12.5112.6I187 S188 K195I187-R191 WeakPolarHBondContact O-CB 3.46Å; I187-R191 PolarHBondContact O-N 2.99Å; S188-R191 PolarHBondContact O-N 3.43Å; R191-K195 WeakPolarHBondContact O-CB 3.43Å; R191-K195 WeakPolarHBondContact O-CG 3.49Å; R191-K195 PolarHBondContact O-N 3.48Å
192T45.4Very low45.6Very low72 Ų7295.2 Ų95.244%0.44248%0.479SS..Hα-helixtrans-71.3-38.4171.3-56.10000110.6S188 K195 L196S188-T192 VanDerWaalsContact O-CB 3.23Å; S188-T192 WeakPolarHBondContact O-CB 3.29Å; S188-T192 PolarHBondContact O-N 3.37Å; S188-T192 PolarHBondContact O-OG1 3.34Å; T192-K195 PolarHBondContact O-N 2.98Å; T192-L196 HydrophobicContact CG2-CD1 3.93Å; T192-L196 HydrophobicContact CG2-CG 4.46Å; T192-L196 WeakPolarHBondContact O-CG 3.22Å; T192-L196 PolarHBondContact O-N 3.05Å
193F45Very low45.2Very low84 Ų8498.1 Ų98.137%0.36849%0.491SS..Hα-helixtrans-66.1-46.9177.6-175.9-101000113.2V106 S189 F190 K195 L196 S197V106-F193 HydrophobicContact CG1-CD2 4.07Å; V106-F193 HydrophobicContact CG1-CE2 3.57Å; S189-F193 WeakPolarHBondContact O-CB 3.43Å; S189-F193 PolarHBondContact O-N 3.37Å; F190-F193 PolarHBondContact O-N 3.46Å; F193-K195 VanDerWaalsContact C-N 3.29Å; F193-K195 PolarHBondContact O-N 3.33Å; F193-L196 PolarHBondContact O-N 3.5Å; F193-S197 WeakPolarHBondContact O-CB 3.15Å; F193-S197 PolarHBondContact O-N 2.96Å; F193-S197 PolarHBondContact O-OG 2.83Å
194L41.3Very low44.8Very low106 Ų10697.9 Ų97.956%0.55550%0.496SS*.Hα-helixtrans-60.8-37.7173-82.2166.4000112.1F190 S197 L198F190-L194 PolarHBondContact O-N 3.29Å; L194-S197 PolarHBondContact O-OG 3.31Å; L194-L198 WeakPolarHBondContact O-CB 3.33Å; L194-L198 WeakPolarHBondContact O-CD1 3.47Å; L194-L198 WeakPolarHBondContact O-CG 3.38Å; L194-L198 PolarHBondContact O-N 3.02Å
195K45.5Very low44.7Very low144 Ų14497.1 Ų97.163%0.62649%0.492SS*.Hα-helixtrans-67-41.7177.2-82-179177.2-176.70112.5R191 T192 F193 F199R191-K195 WeakPolarHBondContact O-CB 3.43Å; R191-K195 WeakPolarHBondContact O-CG 3.49Å; R191-K195 PolarHBondContact O-N 3.48Å; T192-K195 PolarHBondContact O-N 2.98Å; F193-K195 VanDerWaalsContact C-N 3.29Å; F193-K195 PolarHBondContact O-N 3.33Å; K195-F199 VanDerWaalsContact O-CB 3.3Å; K195-F199 WeakPolarHBondContact O-CB 3.35Å; K195-F199 PolarHBondContact O-N 3.32Å; K195-F199 VanDerWaalsContact O-N 3.09Å
196L41.9Very low44.7Very low102 Ų10296.8 Ų96.853%0.53450%0.501SS..Hα-helixtrans-74.3-42.2179.9-70.4171.4000111.8T192 F193 L198 F199 D200T192-L196 HydrophobicContact CG2-CD1 3.93Å; T192-L196 HydrophobicContact CG2-CG 4.46Å; T192-L196 WeakPolarHBondContact O-CG 3.22Å; T192-L196 PolarHBondContact O-N 3.05Å; F193-L196 PolarHBondContact O-N 3.5Å; L196-L198 VanDerWaalsContact C-N 3.35Å; L196-L198 PolarHBondContact O-N 3.36Å; L196-F199 WeakPolarHBondContact O-CB 3.35Å; L196-F199 PolarHBondContact O-N 2.96Å; L196-F199 VanDerWaalsContact O-N 3.07Å; L196-D200 PolarHBondContact O-N 3.18Å
197S38.3Very low44.7Very low46 Ų46103.4 Ų103.432%0.32253%0.529SS..Hα-helixtrans-65.1-37.1176.377.50000112.4F193 L194 F199 V201F193-S197 WeakPolarHBondContact O-CB 3.15Å; F193-S197 PolarHBondContact O-N 2.96Å; F193-S197 PolarHBondContact O-OG 2.83Å; L194-S197 PolarHBondContact O-OG 3.31Å; S197-F199 VanDerWaalsContact C-N 3.31Å; S197-V201 VanDerWaalsContact O-CG2 3.22Å; S197-V201 WeakPolarHBondContact O-CG2 3.47Å; S197-V201 PolarHBondContact O-N 3.19Å
198L42.8Very low44.4Very low117 Ų117109.5 Ų109.561%0.61356%0.563SS**Hα-helixtrans-68.7-29.8172.3-81.9162.6000112.5L194 L196 K202L194-L198 WeakPolarHBondContact O-CB 3.33Å; L194-L198 WeakPolarHBondContact O-CD1 3.47Å; L194-L198 WeakPolarHBondContact O-CG 3.38Å; L194-L198 PolarHBondContact O-N 3.02Å; L196-L198 VanDerWaalsContact C-N 3.35Å; L196-L198 PolarHBondContact O-N 3.36Å; L198-K202 VanDerWaalsContact O-CB 3.28Å; L198-K202 WeakPolarHBondContact O-CB 3.19Å; L198-K202 PolarHBondContact O-N 3.1Å
199F42.4Very low44.2Very low119 Ų119111.9 Ų111.952%0.52257%0.569SS.*Hα-helixtrans-73.1-43.6178.6-173.9-91.6000112K195 L196 S197 K202 H203K195-F199 VanDerWaalsContact O-CB 3.3Å; K195-F199 WeakPolarHBondContact O-CB 3.35Å; K195-F199 PolarHBondContact O-N 3.32Å; K195-F199 VanDerWaalsContact O-N 3.09Å; L196-F199 WeakPolarHBondContact O-CB 3.35Å; L196-F199 PolarHBondContact O-N 2.96Å; L196-F199 VanDerWaalsContact O-N 3.07Å; S197-F199 VanDerWaalsContact C-N 3.31Å; F199-K202 PolarHBondContact O-N 3.4Å; F199-H203 AromaticContact CD1-ND1 3.77Å; F199-H203 AromaticContact CD2-CE1 3.79Å; F199-H203 AromaticContact CE1-CE1 3.52Å; F199-H203 AromaticContact CE1-ND1 3.58Å; F199-H203 AromaticContact CE2-CE1 3.22Å; F199-H203 WeakPolarHBondContact CE2-CE1 3.31Å; F199-H203 AromaticContact CE2-ND1 3.86Å; F199-H203 AromaticContact CG-ND1 4Å; F199-H203 AromaticContact CZ-CE1 3.06Å; F199-H203 WeakPolarHBondContact CZ-CE1 3.35Å; F199-H203 AromaticContact CZ-ND1 3.63Å; F199-H203 AromaticContact CZ-NE2 3.57Å; F199-H203 PolarHBondContact O-N 2.68Å; F199-H203 PolarHBondContact O-ND1 3.46Å
200D44.6Very low44.1Very low111 Ų111115.6 Ų115.659%0.59458%0.584SS**Hα-helixtrans-65.8-41.7176.8-80.4-40.9000112.2L196 K202 H203 S204L196-D200 PolarHBondContact O-N 3.18Å; D200-K202 VanDerWaalsContact C-N 3.31Å; D200-K202 PolarHBondContact O-N 3.24Å; D200-H203 PolarHBondContact O-N 2.89Å; D200-S204 WeakPolarHBondContact O-CB 3.26Å; D200-S204 PolarHBondContact O-N 3.22Å; D200-S204 VanDerWaalsContact O-N 3.07Å
201V42.1Very low44.1Very low90 Ų90117.9 Ų117.955%0.54560%0.598SS.*Hα-helixtrans-61.3-42.1174.7170.80000110.7S197 H203 S204 D205S197-V201 VanDerWaalsContact O-CG2 3.22Å; S197-V201 WeakPolarHBondContact O-CG2 3.47Å; S197-V201 PolarHBondContact O-N 3.19Å; V201-H203 PolarHBondContact O-N 2.67Å; V201-S204 PolarHBondContact O-N 3.22Å; V201-D205 PolarHBondContact O-N 2.93Å
202K42.1Very low43.7Very low153 Ų153114.6 Ų114.667%0.66560%0.595SS**Hα-helixtrans-72.6-28.7-177.8-160.2172.1-173.3177.70113.9L198 F199 D200 T206L198-K202 VanDerWaalsContact O-CB 3.28Å; L198-K202 WeakPolarHBondContact O-CB 3.19Å; L198-K202 PolarHBondContact O-N 3.1Å; F199-K202 PolarHBondContact O-N 3.4Å; D200-K202 VanDerWaalsContact C-N 3.31Å; D200-K202 PolarHBondContact O-N 3.24Å; K202-T206 WeakPolarHBondContact O-CG2 2.98Å
203H45.7Very low43.6Very low100 Ų100117.3 Ų117.346%0.46360%0.604SS.*Hα-helixtrans-79.6-32.3175-78.570.2000112.1F199 D200 V201 D205 T206F199-H203 AromaticContact CD1-ND1 3.77Å; F199-H203 AromaticContact CD2-CE1 3.79Å; F199-H203 AromaticContact CE1-CE1 3.52Å; F199-H203 AromaticContact CE1-ND1 3.58Å; F199-H203 AromaticContact CE2-CE1 3.22Å; F199-H203 WeakPolarHBondContact CE2-CE1 3.31Å; F199-H203 AromaticContact CE2-ND1 3.86Å; F199-H203 AromaticContact CG-ND1 4Å; F199-H203 AromaticContact CZ-CE1 3.06Å; F199-H203 WeakPolarHBondContact CZ-CE1 3.35Å; F199-H203 AromaticContact CZ-ND1 3.63Å; F199-H203 AromaticContact CZ-NE2 3.57Å; F199-H203 PolarHBondContact O-N 2.68Å; F199-H203 PolarHBondContact O-ND1 3.46Å; D200-H203 PolarHBondContact O-N 2.89Å; V201-H203 PolarHBondContact O-N 2.67Å; H203-D205 VanDerWaalsContact C-N 3.29Å; H203-D205 PolarHBondContact O-N 2.92Å; H203-T206 PolarHBondContact O-N 3.15Å; H203-T206 PolarHBondContact O-OG1 3.32Å
204S39.4Very low43.5Very low88 Ų88119.5 Ų119.562%0.61562%0.62SS**Hα-helixtrans-63.2-33.3174.8-168.30000112.9D200 V201 T206D200-S204 WeakPolarHBondContact O-CB 3.26Å; D200-S204 PolarHBondContact O-N 3.22Å; D200-S204 VanDerWaalsContact O-N 3.07Å; V201-S204 PolarHBondContact O-N 3.22Å; S204-T206 VanDerWaalsContact C-N 3.34Å
205D47.6Very low43.7Very low124 Ų124120.5 Ų120.566%0.66363%0.625SS**THydrogen-bonded Turntrans-82.3-7-179.8-68.3-25.2000114.1V201 H203V201-D205 PolarHBondContact O-N 2.93Å; H203-D205 VanDerWaalsContact C-N 3.29Å; H203-D205 PolarHBondContact O-N 2.92Å
206T50.4Low43.5Very low95 Ų95118.7 Ų118.758%0.58363%0.625SS**THydrogen-bonded Turntrans-992.9-178.856.80000114.4K202 H203 S204K202-T206 WeakPolarHBondContact O-CG2 2.98Å; H203-T206 PolarHBondContact O-N 3.15Å; H203-T206 PolarHBondContact O-OG1 3.32Å; S204-T206 VanDerWaalsContact C-N 3.34Å
207H47.2Very low43.7Very low179 Ų179120.1 Ų120.183%0.82963%0.632SS**  trans-124.225.4-178.8-92.729.5000113.8
208N41.6Very low44.2Very low219 Ų219126.8 Ų126.8100%1.17166%0.66SS**  trans-128.10168.7-158.231.4000110.9

Retrieved 208 of 208 residues in 40 ms (Link to these results)

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