A0A096MLV8_PAPAN Loading...

SAP domain-containing ribonucleoprotein

Binds both single-stranded and double-stranded DNA with higher affinity for the single-stranded form. Specifically binds to scaffold/matrix attachment region DNA. Also binds single-stranded RNA. Enhances RNA unwinding activity of DDX39A. May participate in important transcriptional or translational control of cell growth, metabolism and carcinogenesis. Component of the TREX complex which is thought to couple mRNA transcription, processing and nuclear export, and specifically associates with spliced mRNA and not with unspliced pre-mRNA. The TREX complex is recruited to spliced mRNAs by a transcription-independent mechanism, binds to mRNA upstream of the exon-junction complex (EJC) and is recruited in a splicing- and cap-dependent manner to a region near the 5' end of the mRNA where it functions in mRNA export to the cytoplasm via the TAP/NXF1 pathway. Associates with DDX39B, which facilitates RNA binding of DDX39B and likely plays a role in mRNA export.

AlphaFold DB , UniProt , Accession A0A096MLV8, Species PAPAN (Papio anubis, Olive baboon), Gene SARNP, Length 210 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
1M52.4Low76.4Confident141 Ų14185.1 Ų85.170%0.69545%0.452SS*.  0-88.50-50-37.1-16100114.1T3 E4 T5 A46M1-T3 VanDerWaalsContact C-N 3.32Å; M1-T3 PolarHBondContact O-N 3.18Å; M1-E4 PolarHBondContact N-OE2 3.3Å; M1-E4 VanDerWaalsContact N-OE2 3.15Å; M1-T5 PolarHBondContact O-N 3.07Å; M1-A46 HydrophobicContact CE-CB 3.34Å; M1-A46 HydrophobicContact SD-CB 4.02Å
2A54.2Low78Confident77 Ų7790.6 Ų90.664%0.63647%0.469SS*.Hα-helixtrans-71.5-22.2-172.400000114.7T5 V6A2-T5 PolarHBondContact O-OG1 3.01Å; A2-V6 WeakPolarHBondContact O-CG2 3.33Å
3T56.7Low79.3Confident104 Ų10489.5 Ų89.564%0.63846%0.464SS*.Hα-helixtrans-77.1-40.9178.949.60000112M1 V6 E7M1-T3 VanDerWaalsContact C-N 3.32Å; M1-T3 PolarHBondContact O-N 3.18Å; T3-V6 PolarHBondContact O-N 3.31Å; T3-E7 WeakPolarHBondContact O-CG 3.46Å; T3-E7 PolarHBondContact O-N 3Å; T3-E7 VanDerWaalsContact O-N 3.08Å
4E67.3Low80.5Confident95 Ų9587.9 Ų87.944%0.44447%0.47SS..Hα-helixtrans-67.6-40.7179.3-78.1161.1131.500112.4M1 V6 E7 L8M1-E4 PolarHBondContact N-OE2 3.3Å; M1-E4 VanDerWaalsContact N-OE2 3.15Å; E4-V6 PolarHBondContact O-N 3.11Å; E4-E7 PolarHBondContact O-N 2.81Å; E4-E7 VanDerWaalsContact O-N 3.09Å; E4-L8 PolarHBondContact O-N 2.83Å
5T74.6Confident81.5Confident34 Ų3487 Ų8721%0.20946%0.462CS..Hα-helixtrans-66.1-29.617859.30000112.6M1 A2 H9 Q39M1-T5 PolarHBondContact O-N 3.07Å; A2-T5 PolarHBondContact O-OG1 3.01Å; T5-H9 PolarHBondContact O-ND1 3.32Å; T5-H9 VanDerWaalsContact O-ND1 3.11Å; T5-Q39 HydrophobicContact CG2-CG 4.34Å
6V74.8Confident82.4Confident81 Ų8181.6 Ų81.649%0.49143%0.433SS..Hα-helixtrans-76.2-29.5174.3173.70000111.4A2 T3 E4A2-V6 WeakPolarHBondContact O-CG2 3.33Å; T3-V6 PolarHBondContact O-N 3.31Å; E4-V6 PolarHBondContact O-N 3.11Å
7E88.5Confident83.2Confident110 Ų11082 Ų8251%0.51443%0.43SS..Hα-helixtrans-71.6-34.1176.9-78.8179165.800113.1T3 E4 H9 K10 L11T3-E7 WeakPolarHBondContact O-CG 3.46Å; T3-E7 PolarHBondContact O-N 3Å; T3-E7 VanDerWaalsContact O-N 3.08Å; E4-E7 PolarHBondContact O-N 2.81Å; E4-E7 VanDerWaalsContact O-N 3.09Å; E7-H9 PolarHBondContact O-N 3.24Å; E7-H9 VanDerWaalsContact O-N 3.08Å; E7-K10 WeakPolarHBondContact O-CB 3.36Å; E7-K10 PolarHBondContact O-N 3.43Å; E7-L11 PolarHBondContact O-N 2.94Å
8L91.9Very high84Confident7 Ų785 Ų854%0.03744%0.442CS..THydrogen-bonded Turntrans-55.2-31.3175.4-66.2176.5000113.3E4 K10 L11 L16 E19 I35 L38 Q39 L42E4-L8 PolarHBondContact O-N 2.83Å; L8-K10 VanDerWaalsContact C-N 3.31Å; L8-K10 PolarHBondContact O-N 3.39Å; L8-L11 HydrophobicContact CD2-CD1 4.16Å; L8-L16 HydrophobicContact CD2-CD2 4.32Å; L8-E19 WeakPolarHBondContact CD2-OE2 3.49Å; L8-I35 HydrophobicContact CB-CG2 4.18Å; L8-L38 HydrophobicContact CD1-CB 3.92Å; L8-L38 HydrophobicContact CD2-CB 4.24Å; L8-L38 HydrophobicContact CD2-CD1 4.09Å; L8-Q39 HydrophobicContact CD1-CG 3.54Å; L8-L42 HydrophobicContact CD1-CD1 4.08Å
9H92.6Very high84.5Confident87 Ų8784 Ų8440%0.40344%0.435SS..THydrogen-bonded Turntrans-71.3-27.6178.6-72.279.6000113.1T5 E7 K31 Q39T5-H9 PolarHBondContact O-ND1 3.32Å; T5-H9 VanDerWaalsContact O-ND1 3.11Å; E7-H9 PolarHBondContact O-N 3.24Å; E7-H9 VanDerWaalsContact O-N 3.08Å; H9-K31 PolarHBondContact O-NZ 3.15Å; H9-Q39 PolarHBondContact CE1-NE2 3.04Å
10K94.5Very high85.1Confident159 Ų15979.8 Ų79.869%0.69141%0.413SS*.THydrogen-bonded Turntrans-81.1-25.5-179.4-61.6176.8-175.2168.70112.3E7 L8E7-K10 WeakPolarHBondContact O-CB 3.36Å; E7-K10 PolarHBondContact O-N 3.43Å; L8-K10 VanDerWaalsContact C-N 3.31Å; L8-K10 PolarHBondContact O-N 3.39Å
11L93.6Very high85.6Confident41 Ų4182 Ų8222%0.21543%0.425CS..SBendtrans-64.1148.5178.2-65.6176.5000112.4E7 L8 E15 L16 E19 K31E7-L11 PolarHBondContact O-N 2.94Å; L8-L11 HydrophobicContact CD2-CD1 4.16Å; L11-E15 WeakPolarHBondContact CA-OE2 3.44Å; L11-E15 HydrophobicContact CB-CB 4.17Å; L11-E15 HydrophobicContact CD2-CB 4.26Å; L11-E15 VanDerWaalsContact CD2-OE2 3.27Å; L11-E15 WeakPolarHBondContact CD2-OE2 3.45Å; L11-L16 HydrophobicContact CB-CD2 4.07Å; L11-L16 HydrophobicContact CB-CG 4Å; L11-L16 HydrophobicContact CD1-CD2 4.21Å; L11-E19 VanDerWaalsContact CD1-OE1 3.26Å; L11-E19 WeakPolarHBondContact CD1-OE1 3.42Å; L11-K31 WeakPolarHBondContact O-CE 3.24Å; L11-K31 PolarHBondContact O-NZ 2.92Å
12K95.1Very high87.6Confident151 Ų15179.5 Ų79.566%0.65743%0.426SS*.  trans-77.2160174.1-70.6178.1-178.1166.40110.4A14 E15 L16K12-A14 PolarHBondContact O-N 3.46Å; K12-A14 VanDerWaalsContact O-N 3.16Å; K12-E15 PolarHBondContact N-OE2 3.04Å; K12-E15 PolarHBondContact O-N 2.99Å; K12-E15 VanDerWaalsContact O-N 3.09Å; K12-L16 WeakPolarHBondContact O-CG 3.37Å; K12-L16 PolarHBondContact O-N 3.27Å
13L94.9Very high89.5Confident77 Ų7780.3 Ų80.340%0.40341%0.413SS..Hα-helixtrans-57.4-33179.6-174.467.5000113K17 K31 L34L13-K17 WeakPolarHBondContact O-CG 3.28Å; L13-K17 PolarHBondContact O-N 2.98Å; L13-K17 VanDerWaalsContact O-N 3.14Å; L13-K31 HydrophobicContact CD1-CB 3.93Å; L13-K31 HydrophobicContact CD1-CG 4.15Å; L13-L34 HydrophobicContact CD1-CD1 3.41Å; L13-L34 VanDerWaalsContact CD1-CD1 3.41Å
14A95.7Very high91.2Very high66 Ų6678.8 Ų78.855%0.54542%0.417SS..Hα-helixtrans-66.5-45.3176.800000111.8K12 K17 Q18K12-A14 PolarHBondContact O-N 3.46Å; K12-A14 VanDerWaalsContact O-N 3.16Å; A14-K17 PolarHBondContact O-N 3.5Å; A14-Q18 WeakPolarHBondContact O-CG 3.33Å; A14-Q18 PolarHBondContact O-N 3.02Å
15E95.8Very high92.5Very high75 Ų7576.1 Ų76.135%0.3541%0.406SS..Hα-helixtrans-64.7-44.8178.2-67.5158.9-172.200110.6L11 K12 K17 Q18 E19L11-E15 WeakPolarHBondContact CA-OE2 3.44Å; L11-E15 HydrophobicContact CB-CB 4.17Å; L11-E15 HydrophobicContact CD2-CB 4.26Å; L11-E15 VanDerWaalsContact CD2-OE2 3.27Å; L11-E15 WeakPolarHBondContact CD2-OE2 3.45Å; K12-E15 PolarHBondContact N-OE2 3.04Å; K12-E15 PolarHBondContact O-N 2.99Å; K12-E15 VanDerWaalsContact O-N 3.09Å; E15-K17 VanDerWaalsContact C-N 3.26Å; E15-K17 PolarHBondContact O-N 2.83Å; E15-Q18 WeakPolarHBondContact O-CB 3.47Å; E15-Q18 PolarHBondContact O-N 3Å; E15-E19 PolarHBondContact O-N 3.4Å
16L96.6Very high93.6Very high0 Ų078.6 Ų78.60%042%0.415CS..Hα-helixtrans-59-37175.3-70.2169.2000112.8L8 L11 K12 C20 K31 L34 I35 L38L8-L16 HydrophobicContact CD2-CD2 4.32Å; L11-L16 HydrophobicContact CB-CD2 4.07Å; L11-L16 HydrophobicContact CB-CG 4Å; L11-L16 HydrophobicContact CD1-CD2 4.21Å; K12-L16 WeakPolarHBondContact O-CG 3.37Å; K12-L16 PolarHBondContact O-N 3.27Å; L16-C20 WeakPolarHBondContact O-CB 3.43Å; L16-C20 PolarHBondContact O-N 2.96Å; L16-C20 PolarHBondContact O-SG 3.45Å; L16-C20 VanDerWaalsContact O-SG 3.35Å; L16-K31 HydrophobicContact CD1-CD 4.18Å; L16-K31 VanDerWaalsContact CD1-CE 3.47Å; L16-K31 HydrophobicContact CD1-CG 3.5Å; L16-L34 HydrophobicContact CB-CB 4.15Å; L16-I35 HydrophobicContact CD1-CD1 4.05Å; L16-I35 HydrophobicContact CD1-CG1 3.7Å; L16-I35 HydrophobicContact CD2-CG1 3.85Å; L16-I35 HydrophobicContact CG-CG1 4.44Å; L16-L38 HydrophobicContact CD2-CD1 3.75Å
17K96.2Very high94.6Very high89 Ų8976.9 Ų76.939%0.38741%0.405SS..Hα-helixtrans-70.7-37.7174.7-76.8-178.1174.8-172.10112.3L13 A14 E15 C20 L21 T27 L34L13-K17 WeakPolarHBondContact O-CG 3.28Å; L13-K17 PolarHBondContact O-N 2.98Å; L13-K17 VanDerWaalsContact O-N 3.14Å; A14-K17 PolarHBondContact O-N 3.5Å; E15-K17 VanDerWaalsContact C-N 3.26Å; E15-K17 PolarHBondContact O-N 2.83Å; K17-C20 PolarHBondContact O-N 3.09Å; K17-L21 WeakPolarHBondContact O-CB 3.37Å; K17-L21 PolarHBondContact O-N 3.09Å; K17-T27 WeakPolarHBondContact O-CG2 3.15Å; K17-L34 HydrophobicContact CG-CD1 3.84Å; K17-L34 HydrophobicContact CG-CD2 4Å
18Q96.6Very high94.9Very high136 Ų13678.6 Ų78.664%0.63641%0.411SS*.Hα-helixtrans-65-43.5176.2-75.6178.2-43.600111.1A14 E15 L21 A22A14-Q18 WeakPolarHBondContact O-CG 3.33Å; A14-Q18 PolarHBondContact O-N 3.02Å; E15-Q18 WeakPolarHBondContact O-CB 3.47Å; E15-Q18 PolarHBondContact O-N 3Å; Q18-L21 PolarHBondContact O-N 2.91Å; Q18-A22 WeakPolarHBondContact O-CB 3.19Å; Q18-A22 PolarHBondContact O-N 2.99Å
19E93.5Very high95Very high66 Ų6680.3 Ų80.331%0.30843%0.43SS..Hα-helixtrans-64.1-42.4175.8-73.5-169.6-175.200112.3L8 L11 E15 L21 A22 R23 L38L8-E19 WeakPolarHBondContact CD2-OE2 3.49Å; L11-E19 VanDerWaalsContact CD1-OE1 3.26Å; L11-E19 WeakPolarHBondContact CD1-OE1 3.42Å; E15-E19 PolarHBondContact O-N 3.4Å; E19-L21 VanDerWaalsContact C-N 3.34Å; E19-L21 PolarHBondContact O-N 3.41Å; E19-A22 PolarHBondContact O-N 3.25Å; E19-R23 WeakPolarHBondContact O-CB 3.47Å; E19-R23 WeakPolarHBondContact O-CG 3.49Å; E19-R23 PolarHBondContact O-N 3.27Å; E19-L38 HydrophobicContact CB-CD1 4.02Å; E19-L38 HydrophobicContact CB-CD2 3.96Å
20C95.9Very high95.1Very high0 Ų081.6 Ų81.60%044%0.439CS..Hα-helixtrans-58.8-46.3172.5-77.20000111.4L16 K17 R23 G24 L25 T27 L34 L38L16-C20 WeakPolarHBondContact O-CB 3.43Å; L16-C20 PolarHBondContact O-N 2.96Å; L16-C20 PolarHBondContact O-SG 3.45Å; L16-C20 VanDerWaalsContact O-SG 3.35Å; K17-C20 PolarHBondContact O-N 3.09Å; C20-R23 CarbonylContact O-C 3.28Å; C20-R23 PolarHBondContact O-N 2.77Å; C20-G24 PolarHBondContact O-N 3.2Å; C20-G24 VanDerWaalsContact O-N 3.11Å; C20-L25 HydrophobicContact CB-CB 4.03Å; C20-L25 WeakPolarHBondContact O-CA 3.47Å; C20-L25 WeakPolarHBondContact O-CB 3.34Å; C20-L25 PolarHBondContact O-N 3.41Å; C20-T27 HydrophobicContact CB-CG2 3.87Å; C20-L34 HydrophobicContact CB-CD2 4.14Å; C20-L34 VanDerWaalsContact SG-CD2 3.54Å; C20-L38 VanDerWaalsContact SG-CG 3.57Å
21L96.4Very high95.1Very high127 Ų12777.6 Ų77.667%0.66542%0.422SS*.Hα-helixtrans-64.5-42.9-179.9-163.2160.5000111.6K17 Q18 E19 R23 G24 T27K17-L21 WeakPolarHBondContact O-CB 3.37Å; K17-L21 PolarHBondContact O-N 3.09Å; Q18-L21 PolarHBondContact O-N 2.91Å; E19-L21 VanDerWaalsContact C-N 3.34Å; E19-L21 PolarHBondContact O-N 3.41Å; L21-R23 PolarHBondContact O-N 3.48Å; L21-G24 PolarHBondContact O-N 3.05Å; L21-T27 HydrophobicContact CB-CG2 4.07Å
22A94.2Very high95.2Very high87 Ų8779.5 Ų79.572%0.71943%0.43SS*.Hα-helixtrans-61-33.617800000112.3Q18 E19Q18-A22 WeakPolarHBondContact O-CB 3.19Å; Q18-A22 PolarHBondContact O-N 2.99Å; E19-A22 PolarHBondContact O-N 3.25Å
23R93.3Very high95.2Very high95 Ų9575.5 Ų75.536%0.35842%0.415SS..THydrogen-bonded Turntrans-90.45.2176.1-64.5171.9-178.1-99.1-0.6113.4E19 C20 L21 L25 Y41E19-R23 WeakPolarHBondContact O-CB 3.47Å; E19-R23 WeakPolarHBondContact O-CG 3.49Å; E19-R23 PolarHBondContact O-N 3.27Å; C20-R23 CarbonylContact O-C 3.28Å; C20-R23 PolarHBondContact O-N 2.77Å; L21-R23 PolarHBondContact O-N 3.48Å; R23-L25 HydrophobicContact CB-CD1 4.02Å; R23-L25 HydrophobicContact CB-CG 4.12Å; R23-L25 PolarHBondContact O-N 3.35Å; R23-Y41 HydrophobicContact CB-CE1 4.3Å; R23-Y41 HydrophobicContact CB-CE2 4.35Å; R23-Y41 HydrophobicContact CG-CD1 4.47Å; R23-Y41 HydrophobicContact CG-CE1 4.11Å
24G94.1Very high95.3Very high71 Ų7171.9 Ų71.973%0.73240%0.396SS*.THydrogen-bonded Turntrans69.514.2-178.900000115C20 L21C20-G24 PolarHBondContact O-N 3.2Å; C20-G24 VanDerWaalsContact O-N 3.11Å; L21-G24 PolarHBondContact O-N 3.05Å
25L94.8Very high95.3Very high39 Ų3968.7 Ų68.720%0.20437%0.37CS..  trans-81.1151178.5-63.5168.8000111.3C20 R23 T27 R37 L38 Y41C20-L25 HydrophobicContact CB-CB 4.03Å; C20-L25 WeakPolarHBondContact O-CA 3.47Å; C20-L25 WeakPolarHBondContact O-CB 3.34Å; C20-L25 PolarHBondContact O-N 3.41Å; R23-L25 HydrophobicContact CB-CD1 4.02Å; R23-L25 HydrophobicContact CB-CG 4.12Å; R23-L25 PolarHBondContact O-N 3.35Å; L25-T27 PolarHBondContact O-N 3.07Å; L25-R37 HydrophobicContact CB-CG 4.29Å; L25-R37 HydrophobicContact CD1-CG 4.2Å; L25-R37 HydrophobicContact CD2-CG 4.14Å; L25-R37 HydrophobicContact CG-CG 4.45Å; L25-L38 HydrophobicContact CD1-CD2 3.92Å; L25-Y41 HydrophobicContact CD1-CD2 4.04Å; L25-Y41 HydrophobicContact CD1-CG 3.96Å; L25-Y41 HydrophobicContact CD2-CD2 3.82Å; L25-Y41 HydrophobicContact CD2-CG 4.47Å; L25-Y41 HydrophobicContact CG-CD2 4.14Å
26E96.4Very high95.2Very high87 Ų8770.2 Ų70.241%0.40738%0.377SS..  trans-57.9139.2174.2178.458.4-9900110.7K28 R37E26-K28 HydrophobicContact CG-CB 4.15Å; E26-K28 WeakPolarHBondContact OE1-CD 3.26Å; E26-K28 WeakPolarHBondContact OE1-CE 3.37Å; E26-K28 WeakPolarHBondContact OE1-CG 3.33Å; E26-K28 PolarHBondContact OE1-N 2.64Å; E26-K28 IonicContact OE1-NZ 3.43Å; E26-K28 PolarHBondContact OE1-NZ 2.9Å; E26-K28 IonicContact OE2-NZ 2.81Å; E26-K28 PolarHBondContact OE2-NZ 3.28Å; E26-R37 WeakPolarHBondContact O-CD 3.24Å; E26-R37 PolarHBondContact O-NH1 2.87Å
27T96.1Very high95.1Very high45 Ų4573.7 Ų73.728%0.27639%0.39SS..  trans-108.11.6-175.4600000113.5K17 C20 L21 L25K17-T27 WeakPolarHBondContact O-CG2 3.15Å; C20-T27 HydrophobicContact CB-CG2 3.87Å; L21-T27 HydrophobicContact CB-CG2 4.07Å; L25-T27 PolarHBondContact O-N 3.07Å
28K94.6Very high95Very high145 Ų14569.4 Ų69.463%0.6337%0.372SS*.  trans-76147172.5-66.5167.3-160.21320111.4E26 R37E26-K28 HydrophobicContact CG-CB 4.15Å; E26-K28 WeakPolarHBondContact OE1-CD 3.26Å; E26-K28 WeakPolarHBondContact OE1-CE 3.37Å; E26-K28 WeakPolarHBondContact OE1-CG 3.33Å; E26-K28 PolarHBondContact OE1-N 2.64Å; E26-K28 IonicContact OE1-NZ 3.43Å; E26-K28 PolarHBondContact OE1-NZ 2.9Å; E26-K28 IonicContact OE2-NZ 2.81Å; E26-K28 PolarHBondContact OE2-NZ 3.28Å; K28-R37 PolarHBondContact O-NH1 3.47Å; K28-R37 VanDerWaalsContact O-NH1 3.14Å; K28-R37 PolarHBondContact O-NH2 3.14Å
29G94.3Very high94.9Very high44 Ų4464.6 Ų64.645%0.45435%0.349SS..SBendtrans126.8-177.8175.300000114D33G29-D33 VanDerWaalsContact CA-OD2 3.32Å; G29-D33 WeakPolarHBondContact CA-OD2 3.27Å
30I95Very high94.9Very high113 Ų11363.8 Ų63.858%0.57935%0.353SS*.  trans-82.6168.517156.9163.3000110.8Q32 D33 L34I30-Q32 HydrophobicContact CD1-CB 4.18Å; I30-Q32 HydrophobicContact CG1-CB 4.45Å; I30-Q32 PolarHBondContact O-N 3.37Å; I30-Q32 VanDerWaalsContact O-N 3.11Å; I30-D33 HydrophobicContact CG1-CB 4.4Å; I30-D33 VanDerWaalsContact CG1-CG 3.48Å; I30-D33 VanDerWaalsContact CG1-OD2 3.25Å; I30-D33 WeakPolarHBondContact CG1-OD2 3.37Å; I30-D33 PolarHBondContact N-OD2 3.18Å; I30-D33 WeakPolarHBondContact O-CB 3.19Å; I30-D33 PolarHBondContact O-N 3.44Å; I30-L34 PolarHBondContact O-N 3.08Å
31K94.5Very high94.7Very high75 Ų7566.7 Ų66.733%0.32637%0.365SS..Hα-helixtrans-50-41-179.1-165.4-171.1-178.6-171.60112.7H9 L11 L13 L16 L34 I35H9-K31 PolarHBondContact O-NZ 3.15Å; L11-K31 WeakPolarHBondContact O-CE 3.24Å; L11-K31 PolarHBondContact O-NZ 2.92Å; L13-K31 HydrophobicContact CD1-CB 3.93Å; L13-K31 HydrophobicContact CD1-CG 4.15Å; L16-K31 HydrophobicContact CD1-CD 4.18Å; L16-K31 VanDerWaalsContact CD1-CE 3.47Å; L16-K31 HydrophobicContact CD1-CG 3.5Å; K31-L34 PolarHBondContact O-N 3.27Å; K31-I35 HydrophobicContact CD-CD1 4.4Å; K31-I35 HydrophobicContact CG-CD1 4.1Å; K31-I35 WeakPolarHBondContact O-CG1 3.34Å; K31-I35 PolarHBondContact O-N 2.83Å; K31-I35 VanDerWaalsContact O-N 3.13Å
32Q95.4Very high94.3Very high82 Ų8262.3 Ų62.338%0.38334%0.342SS..Hα-helixtrans-67.2-36.6-180-63.7-59.7-33.500112.6I30 L34 I35 H36I30-Q32 HydrophobicContact CD1-CB 4.18Å; I30-Q32 HydrophobicContact CG1-CB 4.45Å; I30-Q32 PolarHBondContact O-N 3.37Å; I30-Q32 VanDerWaalsContact O-N 3.11Å; Q32-L34 VanDerWaalsContact C-N 3.31Å; Q32-L34 PolarHBondContact O-N 3.14Å; Q32-I35 PolarHBondContact O-N 3.37Å; Q32-H36 VanDerWaalsContact O-CG 3.27Å; Q32-H36 PolarHBondContact O-N 2.84Å; Q32-H36 PolarHBondContact O-ND1 3.09Å
33D95.6Very high93.9Very high67 Ų6763.5 Ų63.536%0.35833%0.333SS..Hα-helixtrans-65.4-38.3178.6-57.4-23.9000111.4G29 I30 R37G29-D33 VanDerWaalsContact CA-OD2 3.32Å; G29-D33 WeakPolarHBondContact CA-OD2 3.27Å; I30-D33 HydrophobicContact CG1-CB 4.4Å; I30-D33 VanDerWaalsContact CG1-CG 3.48Å; I30-D33 VanDerWaalsContact CG1-OD2 3.25Å; I30-D33 WeakPolarHBondContact CG1-OD2 3.37Å; I30-D33 PolarHBondContact N-OD2 3.18Å; I30-D33 WeakPolarHBondContact O-CB 3.19Å; I30-D33 PolarHBondContact O-N 3.44Å; D33-R37 VanDerWaalsContact O-CB 3.26Å; D33-R37 WeakPolarHBondContact O-CB 3.36Å; D33-R37 PolarHBondContact O-N 2.88Å
34L96Very high93.5Very high0 Ų064.8 Ų64.80%034%0.343CS..Hα-helixtrans-67.3-43.7176.2-69.2151.2000110.9L13 L16 K17 C20 I30 K31 Q32 R37 L38L13-L34 HydrophobicContact CD1-CD1 3.41Å; L13-L34 VanDerWaalsContact CD1-CD1 3.41Å; L16-L34 HydrophobicContact CB-CB 4.15Å; K17-L34 HydrophobicContact CG-CD1 3.84Å; K17-L34 HydrophobicContact CG-CD2 4Å; C20-L34 HydrophobicContact CB-CD2 4.14Å; C20-L34 VanDerWaalsContact SG-CD2 3.54Å; I30-L34 PolarHBondContact O-N 3.08Å; K31-L34 PolarHBondContact O-N 3.27Å; Q32-L34 VanDerWaalsContact C-N 3.31Å; Q32-L34 PolarHBondContact O-N 3.14Å; L34-R37 PolarHBondContact O-N 2.99Å; L34-L38 WeakPolarHBondContact O-CB 3.31Å; L34-L38 WeakPolarHBondContact O-CG 3.39Å; L34-L38 PolarHBondContact O-N 3.25Å
35I95.6Very high92.7Very high0 Ų064.9 Ų64.90%032%0.324CS..Hα-helixtrans-61.7-51.2177-68.1166.8000110.6L8 L16 K31 Q32 R37 L38 Q39L8-I35 HydrophobicContact CB-CG2 4.18Å; L16-I35 HydrophobicContact CD1-CD1 4.05Å; L16-I35 HydrophobicContact CD1-CG1 3.7Å; L16-I35 HydrophobicContact CD2-CG1 3.85Å; L16-I35 HydrophobicContact CG-CG1 4.44Å; K31-I35 HydrophobicContact CD-CD1 4.4Å; K31-I35 HydrophobicContact CG-CD1 4.1Å; K31-I35 WeakPolarHBondContact O-CG1 3.34Å; K31-I35 PolarHBondContact O-N 2.83Å; K31-I35 VanDerWaalsContact O-N 3.13Å; Q32-I35 PolarHBondContact O-N 3.37Å; I35-R37 VanDerWaalsContact C-N 3.27Å; I35-R37 PolarHBondContact O-N 2.81Å; I35-L38 PolarHBondContact O-N 3.39Å; I35-Q39 HydrophobicContact CG2-CG 4.24Å; I35-Q39 WeakPolarHBondContact O-CB 3.1Å; I35-Q39 VanDerWaalsContact O-CG 3.28Å; I35-Q39 WeakPolarHBondContact O-CG 3.42Å; I35-Q39 PolarHBondContact O-N 2.97Å
36H94.7Very high91.4Very high107 Ų10764 Ų6450%0.49532%0.322SS..Hα-helixtrans-60.3-38.5179.3-67157.2000112.2Q32 Q39 A40Q32-H36 VanDerWaalsContact O-CG 3.27Å; Q32-H36 PolarHBondContact O-N 2.84Å; Q32-H36 PolarHBondContact O-ND1 3.09Å; H36-Q39 PolarHBondContact O-N 2.85Å; H36-A40 WeakPolarHBondContact O-CB 3.46Å; H36-A40 PolarHBondContact O-N 3.46Å
37R95Very high89.4Confident72 Ų7266.9 Ų66.927%0.27234%0.335SS..Hα-helixtrans-66.2-42.3177.8-168.9179.3-63.71228.3111.8L25 E26 K28 D33 L34 I35 Y41L25-R37 HydrophobicContact CB-CG 4.29Å; L25-R37 HydrophobicContact CD1-CG 4.2Å; L25-R37 HydrophobicContact CD2-CG 4.14Å; L25-R37 HydrophobicContact CG-CG 4.45Å; E26-R37 WeakPolarHBondContact O-CD 3.24Å; E26-R37 PolarHBondContact O-NH1 2.87Å; K28-R37 PolarHBondContact O-NH1 3.47Å; K28-R37 VanDerWaalsContact O-NH1 3.14Å; K28-R37 PolarHBondContact O-NH2 3.14Å; D33-R37 VanDerWaalsContact O-CB 3.26Å; D33-R37 WeakPolarHBondContact O-CB 3.36Å; D33-R37 PolarHBondContact O-N 2.88Å; L34-R37 PolarHBondContact O-N 2.99Å; I35-R37 VanDerWaalsContact C-N 3.27Å; I35-R37 PolarHBondContact O-N 2.81Å; R37-Y41 WeakPolarHBondContact O-CB 3.42Å; R37-Y41 PolarHBondContact O-N 3.16Å
38L94Very high87.3Confident0 Ų069.4 Ų69.40%034%0.344CS..Hα-helixtrans-66.8-39.2175.2-73.9166.2000111.9L8 L16 E19 C20 L25 L34 I35 Y41 L42L8-L38 HydrophobicContact CD1-CB 3.92Å; L8-L38 HydrophobicContact CD2-CB 4.24Å; L8-L38 HydrophobicContact CD2-CD1 4.09Å; L16-L38 HydrophobicContact CD2-CD1 3.75Å; E19-L38 HydrophobicContact CB-CD1 4.02Å; E19-L38 HydrophobicContact CB-CD2 3.96Å; C20-L38 VanDerWaalsContact SG-CG 3.57Å; L25-L38 HydrophobicContact CD1-CD2 3.92Å; L34-L38 WeakPolarHBondContact O-CB 3.31Å; L34-L38 WeakPolarHBondContact O-CG 3.39Å; L34-L38 PolarHBondContact O-N 3.25Å; I35-L38 PolarHBondContact O-N 3.39Å; L38-Y41 PolarHBondContact O-N 3.24Å; L38-L42 WeakPolarHBondContact O-CB 3.38Å; L38-L42 VanDerWaalsContact O-CG 3.25Å; L38-L42 WeakPolarHBondContact O-CG 3.39Å; L38-L42 PolarHBondContact O-N 2.9Å
39Q93.8Very high85Confident34 Ų3470.3 Ų70.316%0.15935%0.351CS..Hα-helixtrans-62.9-47.5174.8-73.3175.5-33.100111.6T5 L8 H9 I35 H36 Y41 L42 E43T5-Q39 HydrophobicContact CG2-CG 4.34Å; L8-Q39 HydrophobicContact CD1-CG 3.54Å; H9-Q39 PolarHBondContact CE1-NE2 3.04Å; I35-Q39 HydrophobicContact CG2-CG 4.24Å; I35-Q39 WeakPolarHBondContact O-CB 3.1Å; I35-Q39 VanDerWaalsContact O-CG 3.28Å; I35-Q39 WeakPolarHBondContact O-CG 3.42Å; I35-Q39 PolarHBondContact O-N 2.97Å; H36-Q39 PolarHBondContact O-N 2.85Å; Q39-Y41 VanDerWaalsContact C-N 3.35Å; Q39-Y41 PolarHBondContact O-N 3.01Å; Q39-L42 PolarHBondContact O-N 3.41Å; Q39-E43 WeakPolarHBondContact O-CB 3.49Å; Q39-E43 WeakPolarHBondContact O-CG 3.27Å; Q39-E43 PolarHBondContact O-N 2.71Å
40A92.6Very high82.7Confident49 Ų4972.3 Ų72.341%0.40536%0.363SS..Hα-helixtrans-60.8-43.2177.600000112H36 L42 E43 E44H36-A40 WeakPolarHBondContact O-CB 3.46Å; H36-A40 PolarHBondContact O-N 3.46Å; A40-L42 VanDerWaalsContact C-N 3.34Å; A40-L42 PolarHBondContact O-N 3.25Å; A40-E43 PolarHBondContact O-N 3.3Å; A40-E44 VanDerWaalsContact O-CB 3.31Å; A40-E44 WeakPolarHBondContact O-CB 3.26Å; A40-E44 PolarHBondContact O-N 3Å
41Y92.3Very high80.3Confident61 Ų6173.7 Ų73.724%0.23937%0.371CS..Hα-helixtrans-62.5-41.2175.2-177.5-82.1000112R23 L25 R37 L38 Q39 H45R23-Y41 HydrophobicContact CB-CE1 4.3Å; R23-Y41 HydrophobicContact CB-CE2 4.35Å; R23-Y41 HydrophobicContact CG-CD1 4.47Å; R23-Y41 HydrophobicContact CG-CE1 4.11Å; L25-Y41 HydrophobicContact CD1-CD2 4.04Å; L25-Y41 HydrophobicContact CD1-CG 3.96Å; L25-Y41 HydrophobicContact CD2-CD2 3.82Å; L25-Y41 HydrophobicContact CD2-CG 4.47Å; L25-Y41 HydrophobicContact CG-CD2 4.14Å; R37-Y41 WeakPolarHBondContact O-CB 3.42Å; R37-Y41 PolarHBondContact O-N 3.16Å; L38-Y41 PolarHBondContact O-N 3.24Å; Q39-Y41 VanDerWaalsContact C-N 3.35Å; Q39-Y41 PolarHBondContact O-N 3.01Å; Y41-H45 AromaticContact CD1-CD2 3.63Å; Y41-H45 AromaticContact CD2-CD2 3.52Å; Y41-H45 AromaticContact CD2-NE2 3.68Å; Y41-H45 HydrophobicContact CE1-CB 4.48Å; Y41-H45 AromaticContact CE1-CD2 3.31Å; Y41-H45 WeakPolarHBondContact CE1-CD2 3.27Å; Y41-H45 AromaticContact CE1-NE2 4Å; Y41-H45 AromaticContact CE2-CD2 3.28Å; Y41-H45 WeakPolarHBondContact CE2-CD2 3.41Å; Y41-H45 AromaticContact CE2-NE2 3.15Å; Y41-H45 WeakPolarHBondContact CE2-NE2 3.25Å; Y41-H45 AromaticContact CG-CD2 3.73Å; Y41-H45 AromaticContact CZ-CD2 3.15Å; Y41-H45 AromaticContact CZ-NE2 3.32Å; Y41-H45 VanDerWaalsContact CZ-NE2 3.32Å; Y41-H45 WeakPolarHBondContact O-CB 3.5Å; Y41-H45 PolarHBondContact O-CD2 3.18Å; Y41-H45 VanDerWaalsContact O-CD2 3.3Å; Y41-H45 PolarHBondContact O-N 2.87Å
42L88.7Confident78Confident35 Ų3576.7 Ų76.718%0.18339%0.386CS..Hα-helixtrans-68.6-35.8177.3-75.3170.1000112.2L8 L38 Q39 A40 A46L8-L42 HydrophobicContact CD1-CD1 4.08Å; L38-L42 WeakPolarHBondContact O-CB 3.38Å; L38-L42 VanDerWaalsContact O-CG 3.25Å; L38-L42 WeakPolarHBondContact O-CG 3.39Å; L38-L42 PolarHBondContact O-N 2.9Å; Q39-L42 PolarHBondContact O-N 3.41Å; A40-L42 VanDerWaalsContact C-N 3.34Å; A40-L42 PolarHBondContact O-N 3.25Å; L42-A46 WeakPolarHBondContact O-CA 3.31Å; L42-A46 WeakPolarHBondContact O-CB 3.37Å; L42-A46 PolarHBondContact O-N 3.39Å
43E85.7Confident75.5Confident113 Ų11381.7 Ų81.753%0.52841%0.41SS..Hα-helixtrans-70.1-45.7175.8-73.9169.7-170.800111.2Q39 A40 A46 E47Q39-E43 WeakPolarHBondContact O-CB 3.49Å; Q39-E43 WeakPolarHBondContact O-CG 3.27Å; Q39-E43 PolarHBondContact O-N 2.71Å; A40-E43 PolarHBondContact O-N 3.3Å; E43-A46 PolarHBondContact O-N 3.22Å; E43-E47 WeakPolarHBondContact O-CG 3.49Å; E43-E47 PolarHBondContact O-N 3.06Å; E43-E47 VanDerWaalsContact O-N 3.11Å
44E84.4Confident73.1Confident122 Ų12286 Ų8657%0.5743%0.433SS*.Hα-helixtrans-63.5-46.5178.5-174.1175.1178.200112A40 E47 E48A40-E44 VanDerWaalsContact O-CB 3.31Å; A40-E44 WeakPolarHBondContact O-CB 3.26Å; A40-E44 PolarHBondContact O-N 3Å; E44-E47 PolarHBondContact O-N 2.96Å; E44-E48 PolarHBondContact O-N 2.83Å
45H77.5Confident70.6Confident73 Ų7392.5 Ų92.534%0.33847%0.472SS..Hα-helixtrans-82.4-13.5178.3-71.8-65.1000114.4Y41 E48 E49Y41-H45 AromaticContact CD1-CD2 3.63Å; Y41-H45 AromaticContact CD2-CD2 3.52Å; Y41-H45 AromaticContact CD2-NE2 3.68Å; Y41-H45 HydrophobicContact CE1-CB 4.48Å; Y41-H45 AromaticContact CE1-CD2 3.31Å; Y41-H45 WeakPolarHBondContact CE1-CD2 3.27Å; Y41-H45 AromaticContact CE1-NE2 4Å; Y41-H45 AromaticContact CE2-CD2 3.28Å; Y41-H45 WeakPolarHBondContact CE2-CD2 3.41Å; Y41-H45 AromaticContact CE2-NE2 3.15Å; Y41-H45 WeakPolarHBondContact CE2-NE2 3.25Å; Y41-H45 AromaticContact CG-CD2 3.73Å; Y41-H45 AromaticContact CZ-CD2 3.15Å; Y41-H45 AromaticContact CZ-NE2 3.32Å; Y41-H45 VanDerWaalsContact CZ-NE2 3.32Å; Y41-H45 WeakPolarHBondContact O-CB 3.5Å; Y41-H45 PolarHBondContact O-CD2 3.18Å; Y41-H45 VanDerWaalsContact O-CD2 3.3Å; Y41-H45 PolarHBondContact O-N 2.87Å; H45-E48 IonicContact CE1-OE2 2.71Å; H45-E48 PolarHBondContact CE1-OE2 2.94Å; H45-E48 IonicContact CG-OE2 3.45Å; H45-E48 IonicContact ND1-OE2 3.4Å; H45-E48 PolarHBondContact ND1-OE2 2.92Å; H45-E49 PolarHBondContact O-N 3.18Å
46A66.3Low68.3Low19 Ų19100.8 Ų100.816%0.15752%0.516CS..Hα-helixtrans-74.6-32.6167.300000112.2M1 L42 E43 A50M1-A46 HydrophobicContact CE-CB 3.34Å; M1-A46 HydrophobicContact SD-CB 4.02Å; L42-A46 WeakPolarHBondContact O-CA 3.31Å; L42-A46 WeakPolarHBondContact O-CB 3.37Å; L42-A46 PolarHBondContact O-N 3.39Å; E43-A46 PolarHBondContact O-N 3.22Å; A46-A50 PolarHBondContact O-N 3.48Å
47E54.5Low66Low148 Ų14899.3 Ų99.369%0.69253%0.53SS*.Hα-helixtrans-75.7-29.3178.2-74.7178.6-179.200111.9E43 E44E43-E47 WeakPolarHBondContact O-CG 3.49Å; E43-E47 PolarHBondContact O-N 3.06Å; E43-E47 VanDerWaalsContact O-N 3.11Å; E44-E47 PolarHBondContact O-N 2.96Å
48E52Low63.2Low99 Ų99103.3 Ų103.346%0.46356%0.556SS.*Hα-helixtrans-67.7-47171.6-76.7175.1159.500111.6E44 H45 A50 N51 E52E44-E48 PolarHBondContact O-N 2.83Å; H45-E48 IonicContact CE1-OE2 2.71Å; H45-E48 PolarHBondContact CE1-OE2 2.94Å; H45-E48 IonicContact CG-OE2 3.45Å; H45-E48 IonicContact ND1-OE2 3.4Å; H45-E48 PolarHBondContact ND1-OE2 2.92Å; E48-A50 PolarHBondContact O-N 3.48Å; E48-N51 PolarHBondContact O-N 3.06Å; E48-N51 VanDerWaalsContact O-N 3.16Å; E48-E52 WeakPolarHBondContact O-CG 3.41Å
49E47.3Very low60.6Low164 Ų164111.7 Ų111.777%0.76660%0.595SS**Hα-helixtrans-67.7-20-177.8-156.9171.8-154.700113.9H45H45-E49 PolarHBondContact O-N 3.18Å
50A45.1Very low57.7Low85 Ų85115.7 Ų115.770%0.70262%0.622SS**THydrogen-bonded Turntrans-84.5-6.917700000114.5A46 E48A46-A50 PolarHBondContact O-N 3.48Å; E48-A50 PolarHBondContact O-N 3.48Å
51N44.4Very low55.1Low142 Ų142121.5 Ų121.576%0.75964%0.641SS**SBendtrans-108.90.5-178.2-170.859.8000113.7E48E48-N51 PolarHBondContact O-N 3.06Å; E48-N51 VanDerWaalsContact O-N 3.16Å
52E47.7Very low52.8Low138 Ų138127.8 Ų127.865%0.64567%0.672SS**SBendtrans-104.6-4.7-175.9-43.9-166.5-169.300114E48 D54E48-E52 WeakPolarHBondContact O-CG 3.41Å; E52-D54 VanDerWaalsContact C-N 3.28Å; E52-D54 PolarHBondContact O-N 3.43Å
53E43.3Very low50.5Low188 Ų188135.3 Ų135.388%0.87971%0.707SS**THydrogen-bonded Turntrans-83.815.7-177.8-145.8-169.3176.900114.8
54D44.2Very low48.5Very low158 Ų158137.9 Ų137.985%0.84572%0.719SS**THydrogen-bonded Turntrans-128.718.2176.6-147.418.7000114.3E52E52-D54 VanDerWaalsContact C-N 3.28Å; E52-D54 PolarHBondContact O-N 3.43Å
55V43.3Very low46Very low136 Ų136139.1 Ų139.182%0.82474%0.735SS**SBendtrans-137.846.6171-163.30000111.3
56L47.5Very low44.4Very low174 Ų174145.1 Ų145.191%0.91176%0.76SS**  trans-13078.6170.2-132.6146.3000109.6
57G46.8Very low43.3Very low76 Ų76149.2 Ų149.278%0.78479%0.785SS**  trans-163.572.8176.100000111.7
58D35.5Very low42.5Very low155 Ų155150.6 Ų150.683%0.82980%0.796SS**  -164.5119.2129-148.2-137.4000109.8
59E40.7Very low41.8Very low176 Ų176153.4 Ų153.482%0.82281%0.809SS**  trans-63.9142.5165.4-64.1173.9111.200109.5
60T31.5Very low41.5Very low118 Ų118152.6 Ų152.672%0.72481%0.809SS**  trans-175.7125.4132.9250000112.5
61E39.1Very low41.5Very low172 Ų172153.8 Ų153.880%0.80481%0.809SS**  trans55.2106.6146.5-63179158.700117.8
62E43.2Very low41Very low192 Ų192153.2 Ų153.290%0.89781%0.81SS**  53.888.984.5-158.9178.5-142.400112.8
63E40.9Very low40.3Very low193 Ų193154.1 Ų154.190%0.90281%0.812SS**  trans-151.3127.3135.5-146.1173.6178.200112.7
64E43.3Very low39.9Very low168 Ų168152.6 Ų152.679%0.78581%0.805SS**  trans-67.3131.4176.9-176.3178.3-158.300111.6
65T32.4Very low39.5Very low148 Ų148154 Ų15491%0.90881%0.807SS**  trans-157.3128.5138.4370000112.1
66K42.7Very low39.5Very low198 Ų198155.8 Ų155.886%0.86181%0.806SS**  trans-88.7178.5-179.4-110.6-176.6-173.9168.30111.3
67P44.6Very low39.5Very low106 Ų106152 Ų15269%0.68879%0.792SS**  trans-101.1166.7-130.941.6-36.4000114.2
68I37.6Very low39.3Very low177 Ų177154.6 Ų154.691%0.90880%0.795SS**  trans-129117.7162.9-62.1174.9000109.6
69E37.2Very low39.5Very low158 Ų158155.8 Ų155.874%0.73880%0.795SS**  trans-89.5135177.8-79.7-177.5156.100112.4
70L39.8Very low39.2Very low147 Ų147156.9 Ų156.977%0.7780%0.797SS**  trans66.4168.5135.1-61.7174.3000119.9
71P44.9Very low39.5Very low109 Ų109157 Ų15771%0.70880%0.798SS**  cis-138.3-164.4-23.926.9-2000114.2
72V34.3Very low39.4Very low130 Ų130156 Ų15679%0.78880%0.804SS**  trans100.5105157.5-169.10000114.7
73K34.5Very low39.1Very low157 Ų157153.4 Ų153.468%0.68380%0.796SS**  93.5121.552.6-173.7176.1177.4175.70113.2
74E34.8Very low39Very low156 Ų156150.7 Ų150.773%0.72979%0.792SS**  trans59.8143.4160.2-68.8165.6-173.700116
75E35.5Very low38.8Very low189 Ų189148 Ų14888%0.88379%0.787SS**  cis-171.7161.341.1-164.4173.9178.600109.9
76E42.6Very low39.3Very low173 Ų173145.2 Ų145.281%0.80878%0.779SS**  trans-82.2-162.8-178.9-154.2-161.8161.800112.4
77P48.4Very low39.6Very low95 Ų95144.1 Ų144.162%0.61778%0.777SS**  -93-175.6-97.733.3-15.1000115
78P43Very low39.8Very low129 Ų129148.5 Ų148.584%0.83879%0.785SS**  -138140.1124.434.1-21.1000115.5
79E37.8Very low40.5Very low180 Ų180149.9 Ų149.984%0.84179%0.785SS**  trans-63.6149.9166.4-59-178.7149.600112.9
80K35.5Very low40.8Very low199 Ų199148.4 Ų148.487%0.86579%0.786SS**  trans-174.7110133.3-102.1164.6-171.3179.80113.5
81T38.1Very low41.1Very low121 Ų121147.7 Ų147.774%0.74279%0.788SS**  trans28.3119.5132.162.50000120.2
82V37.3Very low41.2Very low152 Ų152151.2 Ų151.292%0.92179%0.792SS**  -163.7137.9117.3-115.30000112.7
83D36.3Very low42.4Very low136 Ų136152.3 Ų152.373%0.72779%0.792SS**  trans-73.1130.3175.7-172.8-9.4000111.7
84V38.8Very low43.3Very low136 Ų136149.8 Ų149.882%0.82479%0.79SS**  trans-144.3105156.1-1750000110.5
85V39.2Very low44.5Very low111 Ų111146.9 Ų146.967%0.67379%0.787SS**  trans-50125.2158.8173.80000111.6E87V85-E87 HydrophobicContact CG1-CG 4.4Å
86A41.7Very low45.8Very low91 Ų91146.4 Ų146.475%0.75278%0.784SS**  trans-140.5105.6162.700000110.8
87E50.4Low46.9Very low175 Ų175142.6 Ų142.682%0.81877%0.768SS**  trans-62.9126.1-179.4-58177.2149.700112.2V85V85-E87 HydrophobicContact CG1-CG 4.4Å
88K49.1Very low48.3Very low197 Ų197141.4 Ų141.486%0.85776%0.761SS**  trans-110.9114.2161.3-70.3-176.6-177.7176.80109V90K88-V90 PolarHBondContact O-N 2.85Å; K88-V90 VanDerWaalsContact O-N 3.09Å
89K51Low49.8Very low206 Ų206142.7 Ų142.790%0.89676%0.756SS**  trans-59.7103.8178.9-66.6177.1-179.9176.60111
90V43.2Very low51.5Low128 Ų128138.4 Ų138.478%0.77674%0.742SS**  trans-101.1118.2163.1167.50000107.6K88 K92K88-V90 PolarHBondContact O-N 2.85Å; K88-V90 VanDerWaalsContact O-N 3.09Å; V90-K92 PolarHBondContact O-N 3.16Å
91V46.4Very low53.7Low132 Ų132132 Ų13280%0.872%0.715SS**  trans-61.6105.8175.11760000108.6I93V91-I93 PolarHBondContact O-N 3.5Å
92K48.2Very low55.8Low183 Ų183135.2 Ų135.280%0.79671%0.714SS**  trans-80.897.5-179.9-153.9144.5-174.5158.90108V90 T94V90-K92 PolarHBondContact O-N 3.16Å; K92-T94 VanDerWaalsContact C-N 3.32Å; K92-T94 PolarHBondContact O-N 3.09Å
93I58.3Low57.7Low153 Ų153131.5 Ų131.579%0.78569%0.687SS**  trans-68.996.2167.3-59.2171.4000106.4V91 S95V91-I93 PolarHBondContact O-N 3.5Å; I93-S95 VanDerWaalsContact C-N 3.32Å; I93-S95 PolarHBondContact O-N 2.97Å
94T53.8Low59.6Low104 Ų104129.7 Ų129.764%0.63867%0.674SS**  trans-69.591.5166.647.40000107.5K92 E96K92-T94 VanDerWaalsContact C-N 3.32Å; K92-T94 PolarHBondContact O-N 3.09Å; T94-E96 PolarHBondContact O-N 3.21Å
95S61Low61.8Low95 Ų95127.6 Ų127.666%0.66465%0.654SS**  trans-67.9102.716063.10000106.9I93 I97I93-S95 VanDerWaalsContact C-N 3.32Å; I93-S95 PolarHBondContact O-N 2.97Å; S95-I97 PolarHBondContact O-N 3.39Å
96E62.4Low63.9Low178 Ų178130 Ų13083%0.83265%0.651SS**SBendtrans-63.4-5.2-173.8-62.6-179.9165.200114.5T94T94-E96 PolarHBondContact O-N 3.21Å
97I64.4Low65.8Low93 Ų93126.2 Ų126.248%0.47762%0.62SS.*SBendtrans-98.7116.1178-54.7171.5000108S95 Q99 E101S95-I97 PolarHBondContact O-N 3.39Å; I97-Q99 PolarHBondContact O-N 3.3Å; I97-E101 HydrophobicContact CG2-CB 3.93Å; I97-E101 HydrophobicContact CG2-CG 4.34Å
98P79.1Confident67.3Low71 Ų71124.4 Ų124.446%0.46161%0.612SS.*  trans-58138176.424.9-32.4000109.4T100 E101 R102P98-T100 PolarHBondContact O-N 3.31Å; P98-E101 HydrophobicContact CG-CB 4.08Å; P98-E101 PolarHBondContact O-N 2.92Å; P98-R102 PolarHBondContact O-N 3.13Å
99Q74.3Confident69Low156 Ų156124.5 Ų124.573%0.72961%0.607SS**Hα-helixtrans-51.4-30.6-176.3-177-177.5-14.700112.8I97 R102 M103I97-Q99 PolarHBondContact O-N 3.3Å; Q99-R102 PolarHBondContact O-N 3.44Å; Q99-M103 HydrophobicContact CG-SD 4.48Å; Q99-M103 WeakPolarHBondContact O-CG 3.43Å; Q99-M103 PolarHBondContact O-N 3.44Å; Q99-M103 VanDerWaalsContact O-N 3.09Å
100T73.8Confident70.3Confident89 Ų89121.4 Ų121.455%0.54659%0.593SS.*Hα-helixtrans-60.9-45.117652.80000112.6P98 M103 Q104P98-T100 PolarHBondContact O-N 3.31Å; T100-M103 WeakPolarHBondContact O-CB 3.35Å; T100-M103 PolarHBondContact O-N 3.06Å; T100-Q104 WeakPolarHBondContact O-CG 3.32Å; T100-Q104 PolarHBondContact O-N 3.11Å
101E81.4Confident71.8Confident66 Ų66122.4 Ų122.431%0.30859%0.594SS.*Hα-helixtrans-69.6-36.6-179.9-165.9-166.4153.500111.3I97 P98 M103 Q104 K105I97-E101 HydrophobicContact CG2-CB 3.93Å; I97-E101 HydrophobicContact CG2-CG 4.34Å; P98-E101 HydrophobicContact CG-CB 4.08Å; P98-E101 PolarHBondContact O-N 2.92Å; E101-M103 VanDerWaalsContact C-N 3.29Å; E101-M103 PolarHBondContact O-N 2.99Å; E101-Q104 PolarHBondContact O-N 3.02Å; E101-K105 PolarHBondContact O-N 3.46Å; E101-K105 VanDerWaalsContact OE1-CE 3.24Å; E101-K105 WeakPolarHBondContact OE1-CE 3.43Å; E101-K105 IonicContact OE1-NZ 3.46Å; E101-K105 PolarHBondContact OE1-NZ 3.36Å
102R81.9Confident72.6Confident188 Ų188118.6 Ų118.671%0.70957%0.571SS**Hα-helixtrans-64.7-35.3174.2-166.7177-175.2174.42111.9P98 Q99 R106P98-R102 PolarHBondContact O-N 3.13Å; Q99-R102 PolarHBondContact O-N 3.44Å; R102-R106 PolarHBondContact O-N 3.39Å
103M76.6Confident73.4Confident73 Ų73113.9 Ų113.936%0.3656%0.559SS.*Hα-helixtrans-69.1-40.3174.2-74.8178.261.100111.8Q99 T100 E101 R106 A107 V114 L116Q99-M103 HydrophobicContact CG-SD 4.48Å; Q99-M103 WeakPolarHBondContact O-CG 3.43Å; Q99-M103 PolarHBondContact O-N 3.44Å; Q99-M103 VanDerWaalsContact O-N 3.09Å; T100-M103 WeakPolarHBondContact O-CB 3.35Å; T100-M103 PolarHBondContact O-N 3.06Å; E101-M103 VanDerWaalsContact C-N 3.29Å; E101-M103 PolarHBondContact O-N 2.99Å; M103-R106 PolarHBondContact O-N 3.15Å; M103-A107 WeakPolarHBondContact O-CB 3.47Å; M103-A107 PolarHBondContact O-N 2.96Å; M103-V114 HydrophobicContact CE-CG1 4.27Å; M103-L116 HydrophobicContact CE-CD2 4.45Å
104Q77.8Confident73.6Confident99 Ų99110.1 Ų110.146%0.46354%0.543SS..Hα-helixtrans-64.1-50.3176.3-71.5167.1-3.200111.5T100 E101 R106 A107 E108T100-Q104 WeakPolarHBondContact O-CG 3.32Å; T100-Q104 PolarHBondContact O-N 3.11Å; E101-Q104 PolarHBondContact O-N 3.02Å; Q104-R106 PolarHBondContact O-N 2.79Å; Q104-A107 CarbonylContact O-C 3.53Å; Q104-A107 WeakPolarHBondContact O-CA 3.32Å; Q104-A107 WeakPolarHBondContact O-CB 3.25Å; Q104-A107 PolarHBondContact O-N 3.19Å; Q104-E108 WeakPolarHBondContact O-CG 3.45Å; Q104-E108 PolarHBondContact O-N 3.2Å
105K84.8Confident74.1Confident92 Ų92108 Ų10840%0.453%0.533SS..Hα-helixtrans-59.8-32.3176.6-72.4-175.7-179.4163.70113E101 R109E101-K105 PolarHBondContact O-N 3.46Å; E101-K105 VanDerWaalsContact OE1-CE 3.24Å; E101-K105 WeakPolarHBondContact OE1-CE 3.43Å; E101-K105 IonicContact OE1-NZ 3.46Å; E101-K105 PolarHBondContact OE1-NZ 3.36Å; K105-R109 VanDerWaalsContact O-CB 3.27Å; K105-R109 WeakPolarHBondContact O-CB 3.21Å; K105-R109 WeakPolarHBondContact O-CD 3.34Å; K105-R109 WeakPolarHBondContact O-CG 3.49Å; K105-R109 PolarHBondContact O-N 3.08Å
106R83.4Confident74.5Confident160 Ų160109.2 Ų109.260%0.60453%0.531SS*.Hα-helixtrans-72.8-39.8172.8-178.4179.6-76.3-112.13.3111.7R102 M103 Q104 R109 F110R102-R106 PolarHBondContact O-N 3.39Å; M103-R106 PolarHBondContact O-N 3.15Å; Q104-R106 PolarHBondContact O-N 2.79Å; R106-R109 PolarHBondContact O-N 3.37Å; R106-F110 HydrophobicContact CG-CD2 4.03Å; R106-F110 HydrophobicContact CG-CE2 4.46Å; R106-F110 WeakPolarHBondContact O-CB 3.23Å; R106-F110 WeakPolarHBondContact O-CD2 3.39Å; R106-F110 PolarHBondContact O-N 2.91Å; R106-F110 VanDerWaalsContact O-N 3.09Å
107A81.6Confident75Confident12 Ų12106.2 Ų106.210%0.09952%0.517CS..Hα-helixtrans-65-42.1177.200000111.8M103 Q104 F110 N111 V112 V114M103-A107 WeakPolarHBondContact O-CB 3.47Å; M103-A107 PolarHBondContact O-N 2.96Å; Q104-A107 CarbonylContact O-C 3.53Å; Q104-A107 WeakPolarHBondContact O-CA 3.32Å; Q104-A107 WeakPolarHBondContact O-CB 3.25Å; Q104-A107 PolarHBondContact O-N 3.19Å; A107-F110 PolarHBondContact O-N 2.8Å; A107-N111 VanDerWaalsContact O-CA 3.27Å; A107-N111 WeakPolarHBondContact O-CA 3.35Å; A107-N111 PolarHBondContact O-N 2.99Å; A107-V112 VanDerWaalsContact CB-O 3.31Å; A107-V112 WeakPolarHBondContact CB-O 3.31Å; A107-V112 PolarHBondContact O-N 3.33Å; A107-V112 VanDerWaalsContact O-N 3.16Å; A107-V114 HydrophobicContact CB-CG2 3.44Å; A107-V114 VanDerWaalsContact CB-CG2 3.44Å
108E80Confident75.3Confident138 Ų138104 Ų10465%0.64551%0.51SS*.Hα-helixtrans-63.6-46.1174-71.1169.8-177.100111.7Q104 F110Q104-E108 WeakPolarHBondContact O-CG 3.45Å; Q104-E108 PolarHBondContact O-N 3.2Å; E108-F110 VanDerWaalsContact C-N 3.27Å; E108-F110 PolarHBondContact O-N 2.91Å
109R85.9Confident75Confident199 Ų199104.1 Ų104.175%0.75150%0.503SS*.Hα-helixtrans-64.5-27.9178.2-77.3173.7-173.8-171.31.6114.3K105 R106K105-R109 VanDerWaalsContact O-CB 3.27Å; K105-R109 WeakPolarHBondContact O-CB 3.21Å; K105-R109 WeakPolarHBondContact O-CD 3.34Å; K105-R109 WeakPolarHBondContact O-CG 3.49Å; K105-R109 PolarHBondContact O-N 3.08Å; R106-R109 PolarHBondContact O-N 3.37Å
110F79.1Confident75.3Confident140 Ų140103.6 Ų103.661%0.61450%0.498SS*.Hα-helixtrans-114.65.6-174.6-75.7-93.3000113.4R106 A107 E108 V112R106-F110 HydrophobicContact CG-CD2 4.03Å; R106-F110 HydrophobicContact CG-CE2 4.46Å; R106-F110 WeakPolarHBondContact O-CB 3.23Å; R106-F110 WeakPolarHBondContact O-CD2 3.39Å; R106-F110 PolarHBondContact O-N 2.91Å; R106-F110 VanDerWaalsContact O-N 3.09Å; A107-F110 PolarHBondContact O-N 2.8Å; E108-F110 VanDerWaalsContact C-N 3.27Å; E108-F110 PolarHBondContact O-N 2.91Å; F110-V112 HydrophobicContact CB-CG2 3.82Å; F110-V112 WeakPolarHBondContact O-CG2 3.41Å; F110-V112 PolarHBondContact O-N 3.1Å
111N73.3Confident75.2Confident149 Ų149101.2 Ų101.280%0.79749%0.488SS*.THydrogen-bonded Turntrans48.428.8-174.9-58.193.6000114.1A107A107-N111 VanDerWaalsContact O-CA 3.27Å; A107-N111 WeakPolarHBondContact O-CA 3.35Å; A107-N111 PolarHBondContact O-N 2.99Å
112V63.8Low75Confident52 Ų52100.8 Ų100.832%0.31550%0.496SS..  trans-98123.1-178.3-162.30000109.5A107 F110 V114 K119A107-V112 VanDerWaalsContact CB-O 3.31Å; A107-V112 WeakPolarHBondContact CB-O 3.31Å; A107-V112 PolarHBondContact O-N 3.33Å; A107-V112 VanDerWaalsContact O-N 3.16Å; F110-V112 HydrophobicContact CB-CG2 3.82Å; F110-V112 WeakPolarHBondContact O-CG2 3.41Å; F110-V112 PolarHBondContact O-N 3.1Å; V112-V114 PolarHBondContact O-N 2.97Å; V112-K119 HydrophobicContact CG1-CD 4.1Å; V112-K119 HydrophobicContact CG1-CG 3.79Å
113P64.8Low75.1Confident84 Ų84100.4 Ų100.455%0.54549%0.494SS..  trans-49.4138172.5-24.932.7000111.1S115 K119P113-S115 PolarHBondContact O-N 3.29Å; P113-S115 VanDerWaalsContact O-N 3.08Å; P113-K119 WeakPolarHBondContact O-CE 3.25Å
114V62.2Low75.2Confident74 Ų7497.9 Ų97.945%0.44849%0.485SS..SBendtrans-69.7-2.5-177.2-177.20000112.2M103 A107 V112 L116M103-V114 HydrophobicContact CE-CG1 4.27Å; A107-V114 HydrophobicContact CB-CG2 3.44Å; A107-V114 VanDerWaalsContact CB-CG2 3.44Å; V112-V114 PolarHBondContact O-N 2.97Å; V114-L116 PolarHBondContact O-N 3.42Å
115S65.4Low75.2Confident61 Ų6196.5 Ų96.543%0.42749%0.491SS..  trans-68.1109.3173.771.40000110.3P113 E117 S118P113-S115 PolarHBondContact O-N 3.29Å; P113-S115 VanDerWaalsContact O-N 3.08Å; S115-E117 PolarHBondContact O-N 2.99Å; S115-E117 VanDerWaalsContact O-N 3.15Å; S115-S118 PolarHBondContact O-N 3.21Å; S115-S118 PolarHBondContact O-OG 3.26Å; S115-S118 WeakPolarHBondContact OG-CB 3.05Å; S115-S118 PolarHBondContact OG-OG 3.16Å
116L69Low75Confident120 Ų120102.4 Ų102.463%0.62851%0.51SS*.Hα-helixtrans-56.4-28.9176.1-64.2179.1000111.7M103 V114 K119 K120M103-L116 HydrophobicContact CE-CD2 4.45Å; V114-L116 PolarHBondContact O-N 3.42Å; L116-K119 PolarHBondContact O-N 3.48Å; L116-K120 WeakPolarHBondContact O-CB 2.88Å; L116-K120 PolarHBondContact O-N 3.35Å
117E72.9Confident74.9Confident115 Ų115102.1 Ų102.154%0.53751%0.514SS..Hα-helixtrans-64.9-41.7178.8-160.154.9-133.500112.6S115 K119 K120 A121S115-E117 PolarHBondContact O-N 2.99Å; S115-E117 VanDerWaalsContact O-N 3.15Å; E117-K119 VanDerWaalsContact C-N 3.34Å; E117-K119 PolarHBondContact O-N 3.19Å; E117-K120 PolarHBondContact O-N 3.41Å; E117-A121 VanDerWaalsContact O-CB 3.24Å; E117-A121 WeakPolarHBondContact O-CB 3.31Å; E117-A121 PolarHBondContact O-N 3.38Å
118S69.8Low74.6Confident46 Ų46104.9 Ų104.932%0.32254%0.543SS..Hα-helixtrans-66.8-36.4177.166.50000112.1S115 A122S115-S118 PolarHBondContact O-N 3.21Å; S115-S118 PolarHBondContact O-OG 3.26Å; S115-S118 WeakPolarHBondContact OG-CB 3.05Å; S115-S118 PolarHBondContact OG-OG 3.16Å; S118-A122 WeakPolarHBondContact O-CB 3.4Å; S118-A122 PolarHBondContact O-N 2.91Å
119K74.2Confident74Confident74 Ų74103.6 Ų103.632%0.32254%0.539SS..Hα-helixtrans-68.8-38.9174.6-71173.7-177.6163.80111.9V112 P113 L116 E117 R123V112-K119 HydrophobicContact CG1-CD 4.1Å; V112-K119 HydrophobicContact CG1-CG 3.79Å; P113-K119 WeakPolarHBondContact O-CE 3.25Å; L116-K119 PolarHBondContact O-N 3.48Å; E117-K119 VanDerWaalsContact C-N 3.34Å; E117-K119 PolarHBondContact O-N 3.19Å; K119-R123 VanDerWaalsContact O-CB 3.32Å; K119-R123 WeakPolarHBondContact O-CB 3.38Å; K119-R123 PolarHBondContact O-N 3.47Å
120K79.5Confident72.8Confident144 Ų14498.5 Ų98.563%0.62654%0.535SS*.Hα-helixtrans-68.7-43.5177.1-167.9178.4179.9-173.60110.8L116 E117 R123 A124L116-K120 WeakPolarHBondContact O-CB 2.88Å; L116-K120 PolarHBondContact O-N 3.35Å; E117-K120 PolarHBondContact O-N 3.41Å; K120-R123 PolarHBondContact O-N 3.11Å; K120-A124 WeakPolarHBondContact O-CB 3.49Å; K120-A124 PolarHBondContact O-N 2.95Å
121A72.9Confident71.8Confident40 Ų4096.2 Ų96.233%0.33154%0.536SS..Hα-helixtrans-65.5-44.917500000112.3E117 R123 A124 A125E117-A121 VanDerWaalsContact O-CB 3.24Å; E117-A121 WeakPolarHBondContact O-CB 3.31Å; E117-A121 PolarHBondContact O-N 3.38Å; A121-R123 VanDerWaalsContact C-N 3.3Å; A121-R123 PolarHBondContact O-N 3.32Å; A121-A124 PolarHBondContact O-N 3.31Å; A121-A125 WeakPolarHBondContact O-CB 3.38Å; A121-A125 PolarHBondContact O-N 2.89Å
122A76.7Confident70.6Confident57 Ų5793.2 Ų93.247%0.47152%0.523SS..Hα-helixtrans-63.2-37.2175.900000111.9S118 R126S118-A122 WeakPolarHBondContact O-CB 3.4Å; S118-A122 PolarHBondContact O-N 2.91Å; A122-R126 VanDerWaalsContact O-CG 3.31Å; A122-R126 WeakPolarHBondContact O-CG 3.48Å; A122-R126 PolarHBondContact O-N 2.84Å; A122-R126 VanDerWaalsContact O-N 3.15Å
123R83.9Confident70.2Confident179 Ų17997.1 Ų97.168%0.67555%0.549SS*.Hα-helixtrans-65-49.7171.5-177.1179.2-68.3-127.70.2110.7K119 K120 A121 A125 R126 F127K119-R123 VanDerWaalsContact O-CB 3.32Å; K119-R123 WeakPolarHBondContact O-CB 3.38Å; K119-R123 PolarHBondContact O-N 3.47Å; K120-R123 PolarHBondContact O-N 3.11Å; A121-R123 VanDerWaalsContact C-N 3.3Å; A121-R123 PolarHBondContact O-N 3.32Å; R123-A125 VanDerWaalsContact C-N 3.29Å; R123-A125 PolarHBondContact O-N 3.44Å; R123-R126 WeakPolarHBondContact O-CB 3.4Å; R123-R126 PolarHBondContact O-N 2.91Å; R123-R126 VanDerWaalsContact O-N 3.08Å; R123-F127 HydrophobicContact CG-CD2 4.01Å; R123-F127 HydrophobicContact CG-CE2 3.99Å; R123-F127 VanDerWaalsContact O-CD2 3.23Å; R123-F127 WeakPolarHBondContact O-CD2 3.28Å; R123-F127 PolarHBondContact O-N 3.43Å
124A79.3Confident69.2Low20 Ų2098.6 Ų98.617%0.16556%0.557CS.*Hα-helixtrans-58.2-40.8178.900000112K120 A121 R126 F127 G128 I129K120-A124 WeakPolarHBondContact O-CB 3.49Å; K120-A124 PolarHBondContact O-N 2.95Å; A121-A124 PolarHBondContact O-N 3.31Å; A124-R126 PolarHBondContact O-N 3.47Å; A124-F127 CarbonylContact O-C 3.59Å; A124-F127 VanDerWaalsContact O-C 3.28Å; A124-F127 WeakPolarHBondContact O-CA 3.44Å; A124-F127 PolarHBondContact O-N 3.15Å; A124-G128 PolarHBondContact O-N 2.84Å; A124-I129 CarbonylContact C-O 3.41Å; A124-I129 HydrophobicContact CB-CB 4.24Å; A124-I129 HydrophobicContact CB-CD1 4.44Å; A124-I129 HydrophobicContact CB-CG1 4.45Å; A124-I129 WeakPolarHBondContact CB-O 3.46Å; A124-I129 PolarHBondContact O-N 3.41Å
125A76.6Confident68.4Low70 Ų70105.1 Ų105.158%0.57958%0.579SS**Hα-helixtrans-61.8-39174.500000112.6A121 R123 F127 G128A121-A125 WeakPolarHBondContact O-CB 3.38Å; A121-A125 PolarHBondContact O-N 2.89Å; R123-A125 VanDerWaalsContact C-N 3.29Å; R123-A125 PolarHBondContact O-N 3.44Å; A125-F127 PolarHBondContact O-N 3.48Å; A125-G128 PolarHBondContact O-N 3.33Å; A125-G128 VanDerWaalsContact O-N 3.1Å
126R81.8Confident67.7Low217 Ų217104.8 Ų104.882%0.81959%0.586SS**Hα-helixtrans-63.4-26.5172.6-69.4172.4112.7-127.21.7112.9A122 R123 A124A122-R126 VanDerWaalsContact O-CG 3.31Å; A122-R126 WeakPolarHBondContact O-CG 3.48Å; A122-R126 PolarHBondContact O-N 2.84Å; A122-R126 VanDerWaalsContact O-N 3.15Å; R123-R126 WeakPolarHBondContact O-CB 3.4Å; R123-R126 PolarHBondContact O-N 2.91Å; R123-R126 VanDerWaalsContact O-N 3.08Å; A124-R126 PolarHBondContact O-N 3.47Å
127F81.4Confident66.3Low154 Ų154106.8 Ų106.868%0.67560%0.596SS**THydrogen-bonded Turntrans-98.58176.6-72.6-79000113.2R123 A124 A125 I129R123-F127 HydrophobicContact CG-CD2 4.01Å; R123-F127 HydrophobicContact CG-CE2 3.99Å; R123-F127 VanDerWaalsContact O-CD2 3.23Å; R123-F127 WeakPolarHBondContact O-CD2 3.28Å; R123-F127 PolarHBondContact O-N 3.43Å; A124-F127 CarbonylContact O-C 3.59Å; A124-F127 VanDerWaalsContact O-C 3.28Å; A124-F127 WeakPolarHBondContact O-CA 3.44Å; A124-F127 PolarHBondContact O-N 3.15Å; A125-F127 PolarHBondContact O-N 3.48Å; F127-I129 HydrophobicContact CB-CD1 4.1Å; F127-I129 HydrophobicContact CB-CG1 3.9Å; F127-I129 PolarHBondContact O-N 2.88Å
128G74Confident64.9Low69 Ų69106 Ų10671%0.71160%0.603SS**THydrogen-bonded Turntrans70.414.8177.200000115A124 A125 S130A124-G128 PolarHBondContact O-N 2.84Å; A125-G128 PolarHBondContact O-N 3.33Å; A125-G128 VanDerWaalsContact O-N 3.1Å; G128-S130 PolarHBondContact O-N 3.08Å
129I68.2Low64Low111 Ų111109.6 Ų109.657%0.56963%0.629SS**  trans-92.494.4177.7-14.4170.9000106.9A124 F127 S131A124-I129 CarbonylContact C-O 3.41Å; A124-I129 HydrophobicContact CB-CB 4.24Å; A124-I129 HydrophobicContact CB-CD1 4.44Å; A124-I129 HydrophobicContact CB-CG1 4.45Å; A124-I129 WeakPolarHBondContact CB-O 3.46Å; A124-I129 PolarHBondContact O-N 3.41Å; F127-I129 HydrophobicContact CB-CD1 4.1Å; F127-I129 HydrophobicContact CB-CG1 3.9Å; F127-I129 PolarHBondContact O-N 2.88Å; I129-S131 PolarHBondContact O-N 3.36Å
130S60.7Low62.9Low93 Ų93113.2 Ų113.265%0.6565%0.651SS**  trans-67.1117.1172.6-174.90000108.7G128 V132G128-S130 PolarHBondContact O-N 3.08Å; S130-V132 VanDerWaalsContact C-N 3.26Å; S130-V132 PolarHBondContact O-N 3.08Å
131S57.8Low61.6Low91 Ų91113.4 Ų113.464%0.63666%0.659SS**  trans-7677.5174175.90000109.5I129I129-S131 PolarHBondContact O-N 3.36Å
132V47.3Very low60.9Low87 Ų87120.2 Ų120.253%0.52768%0.681SS.*  trans-115.2135.3164.5-68.30000108.8S130 T134S130-V132 VanDerWaalsContact C-N 3.26Å; S130-V132 PolarHBondContact O-N 3.08Å; V132-T134 VanDerWaalsContact C-N 3.33Å; V132-T134 HydrophobicContact CG2-CG2 4.02Å; V132-T134 PolarHBondContact O-N 3.2Å
133P55.8Low60Low133 Ų133122.4 Ų122.486%0.86469%0.691SS**  trans-81.882.9-179.833.6-30.7000108.5K135P133-K135 PolarHBondContact O-N 3.31Å
134T43.6Very low58.7Low115 Ų115122.1 Ų122.171%0.70670%0.699SS**  trans-90.391.9172.252.40000109.3V132 G136V132-T134 VanDerWaalsContact C-N 3.33Å; V132-T134 HydrophobicContact CG2-CG2 4.02Å; V132-T134 PolarHBondContact O-N 3.2Å; T134-G136 PolarHBondContact O-N 3.09Å
135K46.1Very low57.9Low211 Ų211126 Ų12692%0.91772%0.721SS**  trans-61.4109162.4-177.5176.5-177.6-179.20108P133P133-K135 PolarHBondContact O-N 3.31Å
136G50.5Low58Low55 Ų55126 Ų12657%0.56771%0.711SS**SBendtrans74.6107.4171.600000113.4T134T134-G136 PolarHBondContact O-N 3.09Å
137L39.3Very low57.8Low161 Ų161120.6 Ų120.684%0.84370%0.698SS**  trans179.2119.2131.9-111.375.5000108.1
138S44.3Very low57.8Low98 Ų98117.6 Ų117.669%0.68569%0.689SS**  trans41.2115.7151.3-49.70000119.8D140S138-D140 PolarHBondContact O-N 3.11Å
139S51Low58.3Low123 Ų123121.2 Ų121.286%0.8669%0.685SS**SBendtrans-61.573.9164.5174.20000111.9
140D49.7Very low58.8Low149 Ų149119.8 Ų119.880%0.79768%0.678SS**  trans-149.739.3164.6-89.6-48.5000111.1S138 K142S138-D140 PolarHBondContact O-N 3.11Å; D140-K142 PolarHBondContact O-N 2.65Å
141N53.2Low59.9Low149 Ų149120.5 Ų120.580%0.79767%0.669SS**  trans-86.865.1161.5-79.2-71000109.2P143N141-P143 VanDerWaalsContact O-CD 3.25Å; N141-P143 WeakPolarHBondContact O-CD 3.38Å
142K57.8Low61.1Low182 Ų182120.8 Ų120.879%0.79166%0.661SS**  trans-61.4118.4146.6-91.7-146.2-158.9177.50104.3D140 M144D140-K142 PolarHBondContact O-N 2.65Å; K142-M144 PolarHBondContact O-N 2.84Å
143P58.6Low62.8Low103 Ų103124.1 Ų124.167%0.66966%0.664SS**  trans-54119.6163.525.1-31.2000104.2N141 V145N141-P143 VanDerWaalsContact O-CD 3.25Å; N141-P143 WeakPolarHBondContact O-CD 3.38Å; P143-V145 WeakPolarHBondContact O-CG2 3.16Å; P143-V145 PolarHBondContact O-N 3.32Å
144M56Low64Low174 Ų174118.5 Ų118.586%0.85763%0.629SS**  trans-57.794.9176.8-175.5173.768.700105.4K142 N146K142-M144 PolarHBondContact O-N 2.84Å; M144-N146 VanDerWaalsContact C-N 3.34Å; M144-N146 PolarHBondContact O-N 3.29Å
145V62.6Low65.9Low101 Ų101120.5 Ų120.561%0.61263%0.63SS**  trans-63.9105.1-175.4176.80000103.9P143 L147P143-V145 WeakPolarHBondContact O-CG2 3.16Å; P143-V145 PolarHBondContact O-N 3.32Å; V145-L147 PolarHBondContact O-N 3.46Å
146N78.8Confident67.6Low70 Ų70119.8 Ų119.837%0.37462%0.621SS.*  trans-59112.7-171.8-175.6-81.3000108M144 D148 K149 L150M144-N146 VanDerWaalsContact C-N 3.34Å; M144-N146 PolarHBondContact O-N 3.29Å; N146-D148 PolarHBondContact O-N 2.97Å; N146-D148 VanDerWaalsContact O-N 3.12Å; N146-D148 PolarHBondContact OD1-N 3.05Å; N146-K149 HydrophobicContact CB-CB 4.48Å; N146-K149 HydrophobicContact CB-CD 4.2Å; N146-K149 HydrophobicContact CB-CG 4.22Å; N146-K149 PolarHBondContact O-N 3.24Å; N146-K149 PolarHBondContact OD1-N 3.42Å; N146-L150 PolarHBondContact O-N 3.12Å
147L78.3Confident69Low104 Ų104124.1 Ų124.155%0.54563%0.625SS.*Hα-helixtrans-59.1-29.3-168.9-174.861.5000111.3V145 L150 K151V145-L147 PolarHBondContact O-N 3.46Å; L147-L150 WeakPolarHBondContact O-CB 3.44Å; L147-L150 PolarHBondContact O-N 3.21Å; L147-K151 WeakPolarHBondContact O-CG 3.31Å; L147-K151 PolarHBondContact O-N 3.3Å
148D80.1Confident70.5Confident91 Ų91119.7 Ų119.749%0.48762%0.618SS.*Hα-helixtrans-71.9-40.2179.1-54.3-42.7000111.8N146 L150 K151 E152N146-D148 PolarHBondContact O-N 2.97Å; N146-D148 VanDerWaalsContact O-N 3.12Å; N146-D148 PolarHBondContact OD1-N 3.05Å; D148-L150 PolarHBondContact O-N 3.29Å; D148-K151 PolarHBondContact O-N 2.8Å; D148-E152 WeakPolarHBondContact O-CB 3.43Å; D148-E152 WeakPolarHBondContact O-CG 3.45Å; D148-E152 PolarHBondContact O-N 2.91Å
149K84.4Confident71.6Confident145 Ų145117.6 Ų117.663%0.6360%0.599SS**Hα-helixtrans-62.5-32.8171.5-66-176.7-178.2177.40112.2N146 R153N146-K149 HydrophobicContact CB-CB 4.48Å; N146-K149 HydrophobicContact CB-CD 4.2Å; N146-K149 HydrophobicContact CB-CG 4.22Å; N146-K149 PolarHBondContact O-N 3.24Å; N146-K149 PolarHBondContact OD1-N 3.42Å; K149-R153 VanDerWaalsContact O-CB 3.31Å; K149-R153 WeakPolarHBondContact O-CB 3.49Å; K149-R153 PolarHBondContact O-N 3.28Å
150L79.5Confident72Confident81 Ų81116.1 Ų116.142%0.42458%0.581SS.*Hα-helixtrans-73.2-40.2176.5-170.462.3000111.4N146 L147 D148 R153 A154N146-L150 PolarHBondContact O-N 3.12Å; L147-L150 WeakPolarHBondContact O-CB 3.44Å; L147-L150 PolarHBondContact O-N 3.21Å; D148-L150 PolarHBondContact O-N 3.29Å; L150-R153 PolarHBondContact O-N 2.81Å; L150-A154 WeakPolarHBondContact O-CB 3.5Å; L150-A154 PolarHBondContact O-N 2.9Å
151K82.4Confident72.6Confident107 Ų107114 Ų11447%0.46557%0.573SS.*Hα-helixtrans-64.3-46.5172.9-74171.9-179.6170.80111.9L147 D148 R153 A154 Q155L147-K151 WeakPolarHBondContact O-CG 3.31Å; L147-K151 PolarHBondContact O-N 3.3Å; D148-K151 PolarHBondContact O-N 2.8Å; K151-R153 VanDerWaalsContact C-N 3.29Å; K151-R153 PolarHBondContact O-N 3.41Å; K151-A154 PolarHBondContact O-N 3.15Å; K151-A154 VanDerWaalsContact O-N 3.13Å; K151-Q155 WeakPolarHBondContact O-CB 3.36Å; K151-Q155 WeakPolarHBondContact O-CG 3.5Å; K151-Q155 PolarHBondContact O-N 2.83Å
152E84.5Confident72.8Confident97 Ų97109 Ų10945%0.45355%0.55SS.*Hα-helixtrans-60.2-39.8175.2-78.1-175.1-167.100111.8D148 R156D148-E152 WeakPolarHBondContact O-CB 3.43Å; D148-E152 WeakPolarHBondContact O-CG 3.45Å; D148-E152 PolarHBondContact O-N 2.91Å; E152-R156 VanDerWaalsContact O-CB 3.31Å; E152-R156 WeakPolarHBondContact O-CB 3.31Å; E152-R156 VanDerWaalsContact O-CG 3.27Å; E152-R156 WeakPolarHBondContact O-CG 3.28Å; E152-R156 PolarHBondContact O-N 3.35Å; E152-R156 IonicContact OE2-NH1 2.87Å; E152-R156 PolarHBondContact OE2-NH1 3.16Å
153R82.9Confident73Confident158 Ų158104.5 Ų104.560%0.59654%0.541SS*.Hα-helixtrans-64.3-48.8172.9-173.7179.6-66.8169.4-0.9110.1K149 L150 K151 Q155 R156 F157K149-R153 VanDerWaalsContact O-CB 3.31Å; K149-R153 WeakPolarHBondContact O-CB 3.49Å; K149-R153 PolarHBondContact O-N 3.28Å; L150-R153 PolarHBondContact O-N 2.81Å; K151-R153 VanDerWaalsContact C-N 3.29Å; K151-R153 PolarHBondContact O-N 3.41Å; R153-Q155 VanDerWaalsContact C-N 3.28Å; R153-Q155 PolarHBondContact O-N 2.86Å; R153-R156 PolarHBondContact O-N 3.39Å; R153-F157 HydrophobicContact CG-CD2 3.62Å; R153-F157 HydrophobicContact CG-CE2 3.71Å; R153-F157 WeakPolarHBondContact O-CB 3.21Å; R153-F157 WeakPolarHBondContact O-CD2 3.43Å; R153-F157 PolarHBondContact O-N 3.48Å
154A80.9Confident72.9Confident15 Ų15105.9 Ų105.912%0.12454%0.542CS..Hα-helixtrans-57.9-42.417900000112.5L150 K151 F157 G158 L159 V161L150-A154 WeakPolarHBondContact O-CB 3.5Å; L150-A154 PolarHBondContact O-N 2.9Å; K151-A154 PolarHBondContact O-N 3.15Å; K151-A154 VanDerWaalsContact O-N 3.13Å; A154-F157 CarbonylContact O-C 3.58Å; A154-F157 PolarHBondContact O-N 3.03Å; A154-G158 PolarHBondContact O-N 3.27Å; A154-L159 PolarHBondContact O-N 3.38Å; A154-V161 HydrophobicContact CB-CG1 3.31Å
155Q82.5Confident73.1Confident157 Ų15799.2 Ų99.273%0.73451%0.512SS*.Hα-helixtrans-64.5-45.7175.6-74.8179.8-23.600112.5K151 R153 F157 G158K151-Q155 WeakPolarHBondContact O-CB 3.36Å; K151-Q155 WeakPolarHBondContact O-CG 3.5Å; K151-Q155 PolarHBondContact O-N 2.83Å; R153-Q155 VanDerWaalsContact C-N 3.28Å; R153-Q155 PolarHBondContact O-N 2.86Å; Q155-F157 VanDerWaalsContact C-N 3.26Å; Q155-F157 PolarHBondContact O-N 3.13Å; Q155-G158 PolarHBondContact O-N 3.32Å; Q155-G158 VanDerWaalsContact O-N 3.12Å
156R83.5Confident73.2Confident196 Ų19698 Ų9874%0.7450%0.497SS*.Hα-helixtrans-60.5-36.7176.1-81.8177.2158.9124.4-2.6113E152 R153 G158E152-R156 VanDerWaalsContact O-CB 3.31Å; E152-R156 WeakPolarHBondContact O-CB 3.31Å; E152-R156 VanDerWaalsContact O-CG 3.27Å; E152-R156 WeakPolarHBondContact O-CG 3.28Å; E152-R156 PolarHBondContact O-N 3.35Å; E152-R156 IonicContact OE2-NH1 2.87Å; E152-R156 PolarHBondContact OE2-NH1 3.16Å; R153-R156 PolarHBondContact O-N 3.39Å; R156-G158 VanDerWaalsContact C-N 3.29Å
157F77.9Confident72.4Confident146 Ų146101.7 Ų101.764%0.6451%0.509SS*.THydrogen-bonded Turntrans-892.1-179.3-75.7-93.4000112.5R153 A154 Q155 L159R153-F157 HydrophobicContact CG-CD2 3.62Å; R153-F157 HydrophobicContact CG-CE2 3.71Å; R153-F157 WeakPolarHBondContact O-CB 3.21Å; R153-F157 WeakPolarHBondContact O-CD2 3.43Å; R153-F157 PolarHBondContact O-N 3.48Å; A154-F157 CarbonylContact O-C 3.58Å; A154-F157 PolarHBondContact O-N 3.03Å; Q155-F157 VanDerWaalsContact C-N 3.26Å; Q155-F157 PolarHBondContact O-N 3.13Å; F157-L159 HydrophobicContact CB-CD1 4.09Å; F157-L159 WeakPolarHBondContact O-CG 3.49Å; F157-L159 PolarHBondContact O-N 3.12Å; F157-L159 VanDerWaalsContact O-N 3.15Å
158G72.6Confident71.8Confident67 Ų67100.2 Ų100.269%0.69151%0.508SS*.THydrogen-bonded Turntrans64.614.117700000114.4A154 Q155 R156A154-G158 PolarHBondContact O-N 3.27Å; Q155-G158 PolarHBondContact O-N 3.32Å; Q155-G158 VanDerWaalsContact O-N 3.12Å; R156-G158 VanDerWaalsContact C-N 3.29Å
159L67.4Low71.2Confident54 Ų5499.4 Ų99.428%0.28350%0.501SS..  trans-105.4119.9-168.7-72.8156.8000110.9A154 F157 V161 R166 E169A154-L159 PolarHBondContact O-N 3.38Å; F157-L159 HydrophobicContact CB-CD1 4.09Å; F157-L159 WeakPolarHBondContact O-CG 3.49Å; F157-L159 PolarHBondContact O-N 3.12Å; F157-L159 VanDerWaalsContact O-N 3.15Å; L159-V161 PolarHBondContact O-N 3.26Å; L159-R166 VanDerWaalsContact CB-NH1 3.26Å; L159-R166 PolarHBondContact O-NH2 3.31Å; L159-R166 VanDerWaalsContact O-NH2 3.15Å; L159-E169 WeakPolarHBondContact CD2-OE2 3.46Å
160N59.6Low70.6Confident92 Ų9296.9 Ų96.949%0.49250%0.495SS..  trans-49.8131.7169.2-163.41000109.9S162 R166N160-S162 PolarHBondContact ND2-OG 2.86Å; N160-S162 VanDerWaalsContact ND2-OG 3.17Å; N160-S162 PolarHBondContact O-N 3.02Å; N160-R166 VanDerWaalsContact O-CZ 3.31Å; N160-R166 PolarHBondContact O-NE 2.94Å; N160-R166 PolarHBondContact O-NH2 3.23Å
161V60.4Low70.4Confident104 Ų10498.2 Ų98.263%0.6350%0.502SS*.  trans-83.41.2-177.8-68.10000112.9A154 L159A154-V161 HydrophobicContact CB-CG1 3.31Å; L159-V161 PolarHBondContact O-N 3.26Å
162S58Low70.4Confident46 Ų4698.7 Ų98.732%0.32251%0.506SS..  trans-72.9128.4173.765.60000110.4N160 I164 S165N160-S162 PolarHBondContact ND2-OG 2.86Å; N160-S162 VanDerWaalsContact ND2-OG 3.17Å; N160-S162 PolarHBondContact O-N 3.02Å; S162-I164 PolarHBondContact O-N 3.43Å; S162-I164 VanDerWaalsContact O-N 3.12Å; S162-S165 PolarHBondContact O-N 3.15Å
163S61.8Low70.4Confident86 Ų86101.1 Ų101.160%0.60152%0.515SS*.Hα-helixtrans-60.8-20.7-177.648.40000114
164I57.8Low70.3Confident133 Ų13398.6 Ų98.668%0.68251%0.513SS*.Hα-helixtrans-77.4-40.4179.9-67.993.1000111.6S162 R166S162-I164 PolarHBondContact O-N 3.43Å; S162-I164 VanDerWaalsContact O-N 3.12Å; I164-R166 VanDerWaalsContact C-N 3.3Å; I164-R166 PolarHBondContact O-N 3.13Å
165S60.3Low70.5Confident33 Ų33104.3 Ų104.323%0.23154%0.535CS..Hα-helixtrans-70.9-25.2-178.6-165.30000113.1S162 K167 S168S162-S165 PolarHBondContact O-N 3.15Å; S165-K167 VanDerWaalsContact C-N 3.33Å; S165-K167 PolarHBondContact O-N 3.03Å; S165-S168 PolarHBondContact O-OG 2.86Å
166R64Low70.9Confident76 Ų76102.3 Ų102.329%0.28752%0.524SS..Hα-helixtrans-65.4-35.6-179.8-64.6-66.1176.7154.2-2.2113L159 N160 I164 E169 D170L159-R166 VanDerWaalsContact CB-NH1 3.26Å; L159-R166 PolarHBondContact O-NH2 3.31Å; L159-R166 VanDerWaalsContact O-NH2 3.15Å; N160-R166 VanDerWaalsContact O-CZ 3.31Å; N160-R166 PolarHBondContact O-NE 2.94Å; N160-R166 PolarHBondContact O-NH2 3.23Å; I164-R166 VanDerWaalsContact C-N 3.3Å; I164-R166 PolarHBondContact O-N 3.13Å; R166-E169 PolarHBondContact O-N 3.39Å; R166-D170 WeakPolarHBondContact O-CB 3.16Å; R166-D170 PolarHBondContact O-N 3.4Å; R166-D170 VanDerWaalsContact O-N 3.1Å
167K62.3Low71Confident147 Ų147100.9 Ų100.964%0.63952%0.519SS*.Hα-helixtrans-65.8-42.7-172.9-65.5178.4-180-177.50112S165 D171S165-K167 VanDerWaalsContact C-N 3.33Å; S165-K167 PolarHBondContact O-N 3.03Å; K167-D171 PolarHBondContact O-N 3.45Å
168S64.1Low71.4Confident74 Ų7499.4 Ų99.452%0.51751%0.512SS..Hα-helixtrans-70.7-37.118050.80000113.5S165 E172S165-S168 PolarHBondContact O-OG 2.86Å; S168-E172 PolarHBondContact O-N 2.98Å
169E68.4Low72Confident73 Ų73102.7 Ų102.734%0.34151%0.509SS..Hα-helixtrans-71.9-36.9179.9-65.7169.9162.100112L159 R166 K173L159-E169 WeakPolarHBondContact CD2-OE2 3.46Å; R166-E169 PolarHBondContact O-N 3.39Å; E169-K173 WeakPolarHBondContact O-CB 3.08Å; E169-K173 PolarHBondContact O-N 3.42Å; E169-K173 VanDerWaalsContact O-N 3.1Å
170D72.4Confident72.8Confident92 Ų92109.5 Ų109.549%0.49253%0.531SS..Hα-helixtrans-68.5-35.8177.9-77.8-29.2000111.7R166 K173 L174R166-D170 WeakPolarHBondContact O-CB 3.16Å; R166-D170 PolarHBondContact O-N 3.4Å; R166-D170 VanDerWaalsContact O-N 3.1Å; D170-K173 PolarHBondContact O-N 2.85Å; D170-L174 WeakPolarHBondContact O-CB 3.31Å; D170-L174 PolarHBondContact O-N 3.42Å
171D74.6Confident73.9Confident109 Ų109111.7 Ų111.758%0.58354%0.537SS*.Hα-helixtrans-65.3-42.1176.3-75.4-20000112.3K167 L174 K175K167-D171 PolarHBondContact O-N 3.45Å; D171-L174 PolarHBondContact O-N 3.11Å; D171-K175 WeakPolarHBondContact O-CB 3.4Å; D171-K175 PolarHBondContact O-N 2.86Å
172E83.2Confident74.9Confident118 Ų118108.8 Ų108.855%0.55153%0.528SS*.Hα-helixtrans-64.3-42173.7-76.3-163.3-17400112.3S168 L174 K175 K176S168-E172 PolarHBondContact O-N 2.98Å; E172-L174 VanDerWaalsContact C-N 3.3Å; E172-K175 PolarHBondContact O-N 3.15Å; E172-K176 WeakPolarHBondContact O-CB 3.49Å; E172-K176 WeakPolarHBondContact O-CG 3.26Å; E172-K176 PolarHBondContact O-N 3.22Å; E172-K176 IonicContact OE2-NZ 3.3Å; E172-K176 PolarHBondContact OE2-NZ 3.46Å
173K83.2Confident75.4Confident148 Ų148111.5 Ų111.564%0.64354%0.537SS*.Hα-helixtrans-67-36.8178.6-172.2177.5179.4-177.80110.9E169 D170 R177E169-K173 WeakPolarHBondContact O-CB 3.08Å; E169-K173 PolarHBondContact O-N 3.42Å; E169-K173 VanDerWaalsContact O-N 3.1Å; D170-K173 PolarHBondContact O-N 2.85Å; K173-R177 VanDerWaalsContact O-CB 3.26Å; K173-R177 WeakPolarHBondContact O-CB 3.27Å; K173-R177 PolarHBondContact O-N 3.5Å
174L82.4Confident75.2Confident105 Ų105113.7 Ų113.755%0.5555%0.547SS..Hα-helixtrans-67.6-41.4174.3-171.663.7000110.8D170 D171 E172 R177 K178D170-L174 WeakPolarHBondContact O-CB 3.31Å; D170-L174 PolarHBondContact O-N 3.42Å; D171-L174 PolarHBondContact O-N 3.11Å; E172-L174 VanDerWaalsContact C-N 3.3Å; L174-R177 PolarHBondContact O-N 3.38Å; L174-K178 VanDerWaalsContact O-CB 3.24Å; L174-K178 WeakPolarHBondContact O-CB 3.25Å; L174-K178 PolarHBondContact O-N 3.09Å
175K84.9Confident74.5Confident134 Ų134112.3 Ų112.358%0.58355%0.545SS*.Hα-helixtrans-61.9-50173.5-172.1175.4-179.8179.90111.6D171 E172 R177 K178 E179D171-K175 WeakPolarHBondContact O-CB 3.4Å; D171-K175 PolarHBondContact O-N 2.86Å; E172-K175 PolarHBondContact O-N 3.15Å; K175-R177 VanDerWaalsContact C-N 3.27Å; K175-R177 PolarHBondContact O-N 3.34Å; K175-K178 CarbonylContact O-C 3.59Å; K175-K178 WeakPolarHBondContact O-CB 3.42Å; K175-K178 PolarHBondContact O-N 3.22Å; K175-K178 VanDerWaalsContact O-N 3.14Å; K175-E179 WeakPolarHBondContact CE-OE1 3.47Å; K175-E179 WeakPolarHBondContact O-CB 3.41Å; K175-E179 WeakPolarHBondContact O-CG 3.38Å; K175-E179 PolarHBondContact O-N 2.95Å
176K89.3Confident74.1Confident115 Ų115116.8 Ų116.850%0.558%0.576SS.*Hα-helixtrans-59-37.9174.1-74.1167.6-179.9154.50111.7E172 R180E172-K176 WeakPolarHBondContact O-CB 3.49Å; E172-K176 WeakPolarHBondContact O-CG 3.26Å; E172-K176 PolarHBondContact O-N 3.22Å; E172-K176 IonicContact OE2-NZ 3.3Å; E172-K176 PolarHBondContact OE2-NZ 3.46Å; K176-R180 VanDerWaalsContact O-CB 3.26Å; K176-R180 WeakPolarHBondContact O-CB 3.43Å; K176-R180 WeakPolarHBondContact O-CD 3.45Å; K176-R180 WeakPolarHBondContact O-CG 3.21Å; K176-R180 PolarHBondContact O-N 3.45Å
177R87.3Confident73.4Confident167 Ų167118.5 Ų118.563%0.6360%0.599SS**Hα-helixtrans-69.1-42176-172.2180-177.1-163.7-1111.5K173 L174 K175 E179 R180 F181K173-R177 VanDerWaalsContact O-CB 3.26Å; K173-R177 WeakPolarHBondContact O-CB 3.27Å; K173-R177 PolarHBondContact O-N 3.5Å; L174-R177 PolarHBondContact O-N 3.38Å; K175-R177 VanDerWaalsContact C-N 3.27Å; K175-R177 PolarHBondContact O-N 3.34Å; R177-E179 VanDerWaalsContact C-N 3.35Å; R177-R180 PolarHBondContact O-N 3.21Å; R177-F181 HydrophobicContact CG-CD2 3.8Å; R177-F181 HydrophobicContact CG-CE2 4.4Å; R177-F181 WeakPolarHBondContact O-CB 3.4Å; R177-F181 WeakPolarHBondContact O-CD2 3.39Å; R177-F181 PolarHBondContact O-N 2.99Å
178K86.3Confident73Confident115 Ų115116.6 Ų116.650%0.561%0.611SS.*Hα-helixtrans-64.8-37.9176.2175.5169.3159.2162.60111.7L174 K175 G182 I183L174-K178 VanDerWaalsContact O-CB 3.24Å; L174-K178 WeakPolarHBondContact O-CB 3.25Å; L174-K178 PolarHBondContact O-N 3.09Å; K175-K178 CarbonylContact O-C 3.59Å; K175-K178 WeakPolarHBondContact O-CB 3.42Å; K175-K178 PolarHBondContact O-N 3.22Å; K175-K178 VanDerWaalsContact O-N 3.14Å; K178-G182 CarbonylContact O-C 3.52Å; K178-G182 WeakPolarHBondContact O-CA 3.21Å; K178-G182 PolarHBondContact O-N 3.01Å; K178-I183 HydrophobicContact CD-CD1 4.07Å; K178-I183 HydrophobicContact CD-CG1 3.61Å; K178-I183 HydrophobicContact CG-CG1 3.7Å
179E83.5Confident72Confident136 Ų136116.1 Ų116.164%0.63662%0.618SS**Hα-helixtrans-67.4-38.3171.8-72.4168.9-177.500111.6K175 R177K175-E179 WeakPolarHBondContact CE-OE1 3.47Å; K175-E179 WeakPolarHBondContact O-CB 3.41Å; K175-E179 WeakPolarHBondContact O-CG 3.38Å; K175-E179 PolarHBondContact O-N 2.95Å; R177-E179 VanDerWaalsContact C-N 3.35Å
180R85.9Confident71.1Confident196 Ų196120.2 Ų120.274%0.7465%0.648SS**Hα-helixtrans-76-32.7-179.6-74.8173.269175.16.3114.5K176 R177K176-R180 VanDerWaalsContact O-CB 3.26Å; K176-R180 WeakPolarHBondContact O-CB 3.43Å; K176-R180 WeakPolarHBondContact O-CD 3.45Å; K176-R180 WeakPolarHBondContact O-CG 3.21Å; K176-R180 PolarHBondContact O-N 3.45Å; R177-R180 PolarHBondContact O-N 3.21Å
181F81.8Confident70.2Confident139 Ų139119.1 Ų119.161%0.6166%0.659SS**Hα-helixtrans-120.7-2.5-170.6-67.8-80.6000113.6R177R177-F181 HydrophobicContact CG-CD2 3.8Å; R177-F181 HydrophobicContact CG-CE2 4.4Å; R177-F181 WeakPolarHBondContact O-CB 3.4Å; R177-F181 WeakPolarHBondContact O-CD2 3.39Å; R177-F181 PolarHBondContact O-N 2.99Å
182G81.7Confident69Low43 Ų43118.3 Ų118.344%0.44366%0.658SS.*  trans66.9166.2-171.600000112.4K178 V184K178-G182 CarbonylContact O-C 3.52Å; K178-G182 WeakPolarHBondContact O-CA 3.21Å; K178-G182 PolarHBondContact O-N 3.01Å; G182-V184 PolarHBondContact O-N 3.17Å
183I68.2Low67.6Low103 Ų103118.2 Ų118.253%0.52867%0.666SS.*  trans-76.7106.4166.6-61.5173.6000107.3K178 T185K178-I183 HydrophobicContact CD-CD1 4.07Å; K178-I183 HydrophobicContact CD-CG1 3.61Å; K178-I183 HydrophobicContact CG-CG1 3.7Å; I183-T185 WeakPolarHBondContact CG2-OG1 3.26Å; I183-T185 PolarHBondContact O-N 3.3Å
184V56.9Low66.4Low131 Ų131119.1 Ų119.179%0.79467%0.672SS**  trans-94.648.8169.4-172.10000109.5G182G182-V184 PolarHBondContact O-N 3.17Å
185T43.8Very low65.5Low105 Ų105118.1 Ų118.164%0.64467%0.668SS**SBendtrans-126.98617063.90000107.8I183 S187I183-T185 WeakPolarHBondContact CG2-OG1 3.26Å; I183-T185 PolarHBondContact O-N 3.3Å; T185-S187 PolarHBondContact O-N 3.28Å
186S51.1Low65Low127 Ų127114.9 Ų114.989%0.88866%0.659SS**SBendtrans40.671.1143-42.50000116.9
187S50.2Low64.5Low111 Ų111116.1 Ų116.178%0.77667%0.666SS**SBendtrans-171.9105.9154164.10000109.8T185T185-S187 PolarHBondContact O-N 3.28Å
188A52.8Low64.1Low107 Ų107110.4 Ų110.488%0.88466%0.655SS**  trans58.9115.8165.200000117.9
189G45Very low63.9Low65 Ų65110.8 Ų110.867%0.6766%0.657SS**  trans170.168.1170.700000114.3G191G189-G191 PolarHBondContact O-N 3.38Å
190T49.1Very low64Low158 Ų158111.5 Ų111.597%0.96966%0.658SS**  trans-43.1112.6162.6-18.40000110.4
191G52.6Low64Low69 Ų69110.4 Ų110.471%0.71165%0.654SS**  trans162.113174.400000119.7G189G189-G191 PolarHBondContact O-N 3.38Å
192T50.9Low64.5Low93 Ų93110.3 Ų110.357%0.57165%0.653SS**  trans-122.613.6-172.356.90000116T196T192-T196 VanDerWaalsContact O-CG2 3.26Å; T192-T196 WeakPolarHBondContact O-CG2 3.38Å; T192-T196 PolarHBondContact O-OG1 3.49Å
193T53.8Low64.8Low116 Ų116116.3 Ų116.371%0.71266%0.662SS**Hα-helixtrans-66.8-45.7178.448.10000111.7T196 E197T193-T196 PolarHBondContact O-N 2.79Å; T193-T196 PolarHBondContact O-OG1 3.4Å; T193-E197 PolarHBondContact O-N 2.87Å
194E57.3Low65.9Low166 Ų166112.7 Ų112.778%0.77665%0.647SS**Hα-helixtrans-68.5-39.6-176.8-67.2-171.2153.300114.2T196 E197 A198E194-T196 VanDerWaalsContact C-N 3.32Å; E194-T196 PolarHBondContact O-N 3.28Å; E194-E197 PolarHBondContact O-N 3.18Å; E194-A198 PolarHBondContact O-N 3.06Å; E194-A198 VanDerWaalsContact O-N 3.11Å
195D63Low67.5Low85 Ų85111.6 Ų111.646%0.45563%0.633SS.*Hα-helixtrans-71.1-28.6-177.5-177.345.9000112.3K199D195-K199 WeakPolarHBondContact O-CB 3.07Å; D195-K199 WeakPolarHBondContact O-CD 3.41Å; D195-K199 VanDerWaalsContact O-CG 3.25Å; D195-K199 WeakPolarHBondContact O-CG 3.49Å; D195-K199 PolarHBondContact O-N 3.33Å; D195-K199 WeakPolarHBondContact OD1-CE 3.42Å; D195-K199 IonicContact OD1-NZ 3.52Å; D195-K199 WeakPolarHBondContact OD2-CE 2.89Å; D195-K199 IonicContact OD2-NZ 2.62Å; D195-K199 PolarHBondContact OD2-NZ 3.1Å
196T74.3Confident69.8Low65 Ų65116.8 Ų116.840%0.39964%0.641SS.*Hα-helixtrans-74.1-36.1176.166.30000112.4T192 T193 E194 K199 K200T192-T196 VanDerWaalsContact O-CG2 3.26Å; T192-T196 WeakPolarHBondContact O-CG2 3.38Å; T192-T196 PolarHBondContact O-OG1 3.49Å; T193-T196 PolarHBondContact O-N 2.79Å; T193-T196 PolarHBondContact O-OG1 3.4Å; E194-T196 VanDerWaalsContact C-N 3.32Å; E194-T196 PolarHBondContact O-N 3.28Å; T196-K199 PolarHBondContact O-N 3.47Å; T196-K200 WeakPolarHBondContact O-CB 3.24Å; T196-K200 VanDerWaalsContact O-CG 3.31Å; T196-K200 WeakPolarHBondContact O-CG 3.26Å; T196-K200 PolarHBondContact O-N 3.1Å
197E78.2Confident71.6Confident141 Ų141117.6 Ų117.666%0.65963%0.629SS**Hα-helixtrans-71.4-43.3179.2-164.3175.4175.500111.3T193 E194 K199 K200 R201T193-E197 PolarHBondContact O-N 2.87Å; E194-E197 PolarHBondContact O-N 3.18Å; E197-K199 VanDerWaalsContact C-N 3.29Å; E197-K199 PolarHBondContact O-N 3.4Å; E197-K200 PolarHBondContact O-N 3.15Å; E197-K200 VanDerWaalsContact O-N 3.15Å; E197-R201 WeakPolarHBondContact O-CB 3.34Å; E197-R201 PolarHBondContact O-N 3.35Å
198A79.8Confident73.3Confident47 Ų47115.5 Ų115.539%0.38863%0.625SS.*Hα-helixtrans-60.1-38173.300000112.5E194 K202E194-A198 PolarHBondContact O-N 3.06Å; E194-A198 VanDerWaalsContact O-N 3.11Å; A198-K202 WeakPolarHBondContact O-CB 3.37Å; A198-K202 WeakPolarHBondContact O-CG 3.35Å; A198-K202 PolarHBondContact O-N 2.62Å
199K82.9Confident74.6Confident123 Ų123116.9 Ų116.954%0.53562%0.616SS.*Hα-helixtrans-70-37.9174.8-76.8170.5-178.8163.30112.7D195 T196 E197 R203D195-K199 WeakPolarHBondContact O-CB 3.07Å; D195-K199 WeakPolarHBondContact O-CD 3.41Å; D195-K199 VanDerWaalsContact O-CG 3.25Å; D195-K199 WeakPolarHBondContact O-CG 3.49Å; D195-K199 PolarHBondContact O-N 3.33Å; D195-K199 WeakPolarHBondContact OD1-CE 3.42Å; D195-K199 IonicContact OD1-NZ 3.52Å; D195-K199 WeakPolarHBondContact OD2-CE 2.89Å; D195-K199 IonicContact OD2-NZ 2.62Å; D195-K199 PolarHBondContact OD2-NZ 3.1Å; T196-K199 PolarHBondContact O-N 3.47Å; E197-K199 VanDerWaalsContact C-N 3.29Å; E197-K199 PolarHBondContact O-N 3.4Å; K199-R203 VanDerWaalsContact O-CB 3.28Å; K199-R203 WeakPolarHBondContact O-CB 3.41Å; K199-R203 PolarHBondContact O-N 3.05Å
200K85.3Confident75.3Confident152 Ų152119.2 Ų119.266%0.66163%0.629SS**Hα-helixtrans-65.7-42.7174.4-76.5173.6-177.2175.70111.1T196 E197 R203 A204T196-K200 WeakPolarHBondContact O-CB 3.24Å; T196-K200 VanDerWaalsContact O-CG 3.31Å; T196-K200 WeakPolarHBondContact O-CG 3.26Å; T196-K200 PolarHBondContact O-N 3.1Å; E197-K200 PolarHBondContact O-N 3.15Å; E197-K200 VanDerWaalsContact O-N 3.15Å; K200-R203 WeakPolarHBondContact O-CB 3.41Å; K200-R203 PolarHBondContact O-N 3.12Å; K200-A204 WeakPolarHBondContact O-CB 3.07Å; K200-A204 PolarHBondContact O-N 3.39Å
201R85.7Confident76.6Confident173 Ų173117.3 Ų117.365%0.65361%0.612SS**Hα-helixtrans-64.3-49.8176.5-170.8177.5177.7163.26112.5E197 R203 A204 E205E197-R201 WeakPolarHBondContact O-CB 3.34Å; E197-R201 PolarHBondContact O-N 3.35Å; R201-R203 PolarHBondContact O-N 2.9Å; R201-A204 PolarHBondContact O-N 3.17Å; R201-A204 VanDerWaalsContact O-N 3.09Å; R201-E205 IonicContact NE-OE1 3.96Å; R201-E205 PolarHBondContact NE-OE1 3.41Å; R201-E205 PolarHBondContact O-N 2.83Å
202K91.4Very high77.9Confident136 Ų136119.8 Ų119.859%0.59161%0.607SS**Hα-helixtrans-59.1-33.2174.4-76.1179.7178.3175.90112.6A198 R206A198-K202 WeakPolarHBondContact O-CB 3.37Å; A198-K202 WeakPolarHBondContact O-CG 3.35Å; A198-K202 PolarHBondContact O-N 2.62Å; K202-R206 WeakPolarHBondContact O-CB 3.34Å; K202-R206 WeakPolarHBondContact O-CG 3.49Å; K202-R206 PolarHBondContact O-N 2.81Å
203R88.4Confident79.4Confident170 Ų170121.3 Ų121.364%0.64261%0.609SS**Hα-helixtrans-70.3-49.3173.5-178176.2-69.9-129.80.4110.6K199 K200 R201 E205 R206 F207K199-R203 VanDerWaalsContact O-CB 3.28Å; K199-R203 WeakPolarHBondContact O-CB 3.41Å; K199-R203 PolarHBondContact O-N 3.05Å; K200-R203 WeakPolarHBondContact O-CB 3.41Å; K200-R203 PolarHBondContact O-N 3.12Å; R201-R203 PolarHBondContact O-N 2.9Å; R203-E205 VanDerWaalsContact C-N 3.31Å; R203-E205 PolarHBondContact O-N 3.32Å; R203-R206 WeakPolarHBondContact O-CB 3.35Å; R203-R206 PolarHBondContact O-N 2.81Å; R203-R206 VanDerWaalsContact O-N 3.16Å; R203-F207 HydrophobicContact CG-CD2 3.73Å; R203-F207 HydrophobicContact CG-CE2 3.86Å; R203-F207 WeakPolarHBondContact O-CD2 3.36Å; R203-F207 PolarHBondContact O-N 3.14Å
204A90.8Very high80.9Confident26 Ų26121.6 Ų121.622%0.21560%0.603CS.*Hα-helixtrans-57.6-43.6178.300000111.6K200 R201 R206 F207 G208 I209 A210K200-A204 WeakPolarHBondContact O-CB 3.07Å; K200-A204 PolarHBondContact O-N 3.39Å; R201-A204 PolarHBondContact O-N 3.17Å; R201-A204 VanDerWaalsContact O-N 3.09Å; A204-R206 PolarHBondContact O-N 2.79Å; A204-F207 CarbonylContact O-C 3.54Å; A204-F207 PolarHBondContact O-N 2.82Å; A204-F207 VanDerWaalsContact O-N 3.15Å; A204-G208 PolarHBondContact O-N 3.22Å; A204-I209 HydrophobicContact CB-CB 4.43Å; A204-I209 PolarHBondContact O-N 2.95Å; A204-A210 HydrophobicContact CB-CB 3.81Å; A204-A210 PolarHBondContact O-N 3.4Å
205E90.9Very high82.3Confident108 Ų108118.9 Ų118.951%0.50559%0.592SS.*Hα-helixtrans-61.7-43.4174.8-74.7172.2-176.200112.3R201 R203 F207 G208 A210R201-E205 IonicContact NE-OE1 3.96Å; R201-E205 PolarHBondContact NE-OE1 3.41Å; R201-E205 PolarHBondContact O-N 2.83Å; R203-E205 VanDerWaalsContact C-N 3.31Å; R203-E205 PolarHBondContact O-N 3.32Å; E205-F207 PolarHBondContact O-N 3.33Å; E205-G208 PolarHBondContact O-N 2.83Å; E205-G208 VanDerWaalsContact O-N 3.13Å; E205-A210 HydrophobicContact CB-CB 4.36Å; E205-A210 HydrophobicContact CG-CB 3.61Å
206R91.9Very high83.6Confident214 Ų214121.1 Ų121.181%0.80860%0.601SS**Hα-helixtrans-62.7-28.9175.6-78.5174.7178.6179.6-0.1113.6K202 R203 A204K202-R206 WeakPolarHBondContact O-CB 3.34Å; K202-R206 WeakPolarHBondContact O-CG 3.49Å; K202-R206 PolarHBondContact O-N 2.81Å; R203-R206 WeakPolarHBondContact O-CB 3.35Å; R203-R206 PolarHBondContact O-N 2.81Å; R203-R206 VanDerWaalsContact O-N 3.16Å; A204-R206 PolarHBondContact O-N 2.79Å
207F89.6Confident84.3Confident144 Ų144125.1 Ų125.163%0.63262%0.616SS**THydrogen-bonded Turntrans-98.52.6178.5-74-77.3000112.7R203 A204 E205 I209R203-F207 HydrophobicContact CG-CD2 3.73Å; R203-F207 HydrophobicContact CG-CE2 3.86Å; R203-F207 WeakPolarHBondContact O-CD2 3.36Å; R203-F207 PolarHBondContact O-N 3.14Å; A204-F207 CarbonylContact O-C 3.54Å; A204-F207 PolarHBondContact O-N 2.82Å; A204-F207 VanDerWaalsContact O-N 3.15Å; E205-F207 PolarHBondContact O-N 3.33Å; F207-I209 HydrophobicContact CB-CD1 3.74Å; F207-I209 HydrophobicContact CB-CG1 4.02Å; F207-I209 PolarHBondContact O-N 3.3Å
208G85.4Confident84.8Confident67 Ų67123.9 Ų123.969%0.69161%0.613SS**THydrogen-bonded Turntrans62.826.4-17800000113.9A204 E205A204-G208 PolarHBondContact O-N 3.22Å; E205-G208 PolarHBondContact O-N 2.83Å; E205-G208 VanDerWaalsContact O-N 3.13Å
209I80.9Confident85.2Confident137 Ų137130.3 Ų130.370%0.70363%0.631SS**  trans-98.8-9.8-179.8-57.5169.7000110.8A204 F207A204-I209 HydrophobicContact CB-CB 4.43Å; A204-I209 PolarHBondContact O-N 2.95Å; F207-I209 HydrophobicContact CB-CD1 3.74Å; F207-I209 HydrophobicContact CB-CG1 4.02Å; F207-I209 PolarHBondContact O-N 3.3Å
210A59Low85.4Confident114 Ų114131 Ų13194%0.94264%0.64SS**  trans-80.60178.200000112.4A204 E205A204-A210 HydrophobicContact CB-CB 3.81Å; A204-A210 PolarHBondContact O-N 3.4Å; E205-A210 HydrophobicContact CB-CB 4.36Å; E205-A210 HydrophobicContact CG-CB 3.61Å

Retrieved 210 of 210 residues in 140.1 ms (Link to these results)

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