G4LUT0_SCHMA Loading...

SSXT domain-containing protein

AlphaFold DB , UniProt , Accession G4LUT0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 81 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
1M46Very low51.1Low244 Ų244138.6 Ų138.6100%1.20280%0.802SS**  098.50-63.9-165.2-165.900107.1G3M1-G3 PolarHBondContact O-N 2.75Å
2S47Very low50.9Low128 Ų128142.7 Ų142.790%0.89580%0.797SS**  trans-85.2101.5-175-640000110.1A4S2-A4 PolarHBondContact O-N 2.64Å
3G50.4Low51.3Low71 Ų71137.8 Ų137.873%0.73277%0.773SS**  trans-8987.1168.100000109.9M1 F5M1-G3 PolarHBondContact O-N 2.75Å; G3-F5 PolarHBondContact O-N 3.14Å
4A54.9Low51.8Low99 Ų99133.4 Ų133.482%0.81875%0.745SS**  trans-8382.6168.200000109.1S2S2-A4 PolarHBondContact O-N 2.64Å
5F47.8Very low52.2Low210 Ų210128.3 Ų128.392%0.92173%0.726SS**  trans-105.777.3167.6-91-84.9000109G3G3-F5 PolarHBondContact O-N 3.14Å
6A54.4Low52.7Low91 Ų91127.9 Ų127.975%0.75272%0.717SS**  trans-151.863.3173.500000110.8
7Q55.1Low53.3Low178 Ų178122.7 Ų122.783%0.83269%0.685SS**SBendtrans-156.11.3170.8-120.5162.1000118.1
8N50.3Low54.1Low135 Ų135119.2 Ų119.272%0.72267%0.674SS**SBendtrans-97.9-20.7-175.3-154.942.9000115.6
9S53.4Low55Low99 Ų99117.3 Ų117.369%0.69267%0.666SS**Hα-helixtrans-73.7-37-177.7-51.60000112.7Y12 V13S9-Y12 PolarHBondContact O-N 3.32Å; S9-V13 WeakPolarHBondContact O-CG2 3.44Å; S9-V13 PolarHBondContact O-N 3.03Å
10S52.1Low56.3Low75 Ų75113.4 Ų113.452%0.52465%0.646SS.*Hα-helixtrans-66.8-42.2-174.5-178.20000112.4Y12 V13 I14S10-Y12 VanDerWaalsContact C-N 3.34Å; S10-Y12 PolarHBondContact O-N 2.84Å; S10-V13 PolarHBondContact O-N 3.4Å; S10-I14 WeakPolarHBondContact O-CD1 3.36Å; S10-I14 WeakPolarHBondContact O-CG1 3.3Å; S10-I14 PolarHBondContact O-N 3.08Å
11R50.4Low57.7Low195 Ų195108.9 Ų108.974%0.73662%0.623SS**Hα-helixtrans-66-31.8178.6-85.2-156.6-87.3179-9.1114.1A15R11-A15 WeakPolarHBondContact O-CB 3.29Å; R11-A15 PolarHBondContact O-N 3.09Å
12Y49.2Very low59.6Low187 Ų187103.8 Ų103.873%0.73359%0.594SS**Hα-helixtrans-73.4-38.7178.4-161.2-91000111.7S9 S10 H16S9-Y12 PolarHBondContact O-N 3.32Å; S10-Y12 VanDerWaalsContact C-N 3.34Å; S10-Y12 PolarHBondContact O-N 2.84Å; Y12-H16 WeakPolarHBondContact O-CB 3.45Å; Y12-H16 PolarHBondContact O-N 3.44Å
13V55.4Low61.6Low80 Ų80106.5 Ų106.549%0.48559%0.585SS.*Hα-helixtrans-65.2-46.7175.9176.90000110.6S9 S10 A15 H16 E17S9-V13 WeakPolarHBondContact O-CG2 3.44Å; S9-V13 PolarHBondContact O-N 3.03Å; S10-V13 PolarHBondContact O-N 3.4Å; V13-A15 VanDerWaalsContact C-N 3.33Å; V13-A15 PolarHBondContact O-N 3.04Å; V13-H16 PolarHBondContact O-N 2.65Å; V13-E17 HydrophobicContact CG1-CG 4.48Å; V13-E17 WeakPolarHBondContact O-CB 3.39Å; V13-E17 PolarHBondContact O-N 2.8Å
14I58.3Low63.4Low76 Ų76104.8 Ų104.839%0.3956%0.558SS.*Hα-helixtrans-62-39.7179.3-62.3162.8000111.5S10 E17 A18S10-I14 WeakPolarHBondContact O-CD1 3.36Å; S10-I14 WeakPolarHBondContact O-CG1 3.3Å; S10-I14 PolarHBondContact O-N 3.08Å; I14-E17 PolarHBondContact O-N 3.41Å; I14-A18 VanDerWaalsContact O-CB 3.31Å; I14-A18 WeakPolarHBondContact O-CB 3.32Å; I14-A18 PolarHBondContact O-N 3.43Å
15A58.2Low65.1Low56 Ų56104.6 Ų104.646%0.46354%0.543SS..Hα-helixtrans-68.8-39.3177.400000112.7R11 V13 T19R11-A15 WeakPolarHBondContact O-CB 3.29Å; R11-A15 PolarHBondContact O-N 3.09Å; V13-A15 VanDerWaalsContact C-N 3.33Å; V13-A15 PolarHBondContact O-N 3.04Å; A15-T19 PolarHBondContact O-N 2.68Å; A15-T19 VanDerWaalsContact O-N 3.1Å; A15-T19 PolarHBondContact O-OG1 3.38Å
16H59.9Low67.2Low123 Ų12398.3 Ų98.357%0.56952%0.519SS*.Hα-helixtrans-67.1-39.7175.2-174.8-86.9000111.5Y12 V13 T19 S20Y12-H16 WeakPolarHBondContact O-CB 3.45Å; Y12-H16 PolarHBondContact O-N 3.44Å; V13-H16 PolarHBondContact O-N 2.65Å; H16-T19 PolarHBondContact O-N 3.02Å; H16-S20 PolarHBondContact O-N 3.26Å; H16-S20 PolarHBondContact O-OG 2.87Å
17E63.7Low68.9Low39 Ų3998.7 Ų98.718%0.18251%0.505CS..Hα-helixtrans-65.2-45173.9-85.2-174.1154.400112.2V13 I14 T19 S20 A21 L64 N68V13-E17 HydrophobicContact CG1-CG 4.48Å; V13-E17 WeakPolarHBondContact O-CB 3.39Å; V13-E17 PolarHBondContact O-N 2.8Å; I14-E17 PolarHBondContact O-N 3.41Å; E17-T19 VanDerWaalsContact C-N 3.27Å; E17-T19 PolarHBondContact O-N 3.45Å; E17-S20 CarbonylContact O-C 3.57Å; E17-S20 WeakPolarHBondContact O-CB 3.2Å; E17-S20 PolarHBondContact O-N 2.94Å; E17-S20 VanDerWaalsContact O-N 3.08Å; E17-A21 WeakPolarHBondContact O-CB 3.23Å; E17-A21 PolarHBondContact O-N 3.31Å; E17-L64 HydrophobicContact CB-CD2 4.04Å; E17-L64 HydrophobicContact CG-CD1 3.95Å; E17-L64 HydrophobicContact CG-CD2 4.29Å; E17-L64 HydrophobicContact CG-CG 4.37Å; E17-L64 WeakPolarHBondContact OE1-CD1 3.48Å; E17-N68 PolarHBondContact OE2-ND2 3.05Å; E17-N68 VanDerWaalsContact OE2-ND2 3.13Å
18A66.9Low70.6Confident59 Ų5990.5 Ų90.549%0.48847%0.467SS..Hα-helixtrans-60.6-37.8176.500000112.1I14 S20 A21 K22I14-A18 VanDerWaalsContact O-CB 3.31Å; I14-A18 WeakPolarHBondContact O-CB 3.32Å; I14-A18 PolarHBondContact O-N 3.43Å; A18-S20 VanDerWaalsContact C-N 3.34Å; A18-A21 PolarHBondContact O-N 3.46Å; A18-K22 WeakPolarHBondContact O-CB 3.4Å; A18-K22 PolarHBondContact O-N 3.49Å
19T72Confident72.6Confident84 Ų8489.8 Ų89.852%0.51546%0.459SS..Hα-helixtrans-66.3-38.5175.4-51.10000111.4A15 H16 E17 R23A15-T19 PolarHBondContact O-N 2.68Å; A15-T19 VanDerWaalsContact O-N 3.1Å; A15-T19 PolarHBondContact O-OG1 3.38Å; H16-T19 PolarHBondContact O-N 3.02Å; E17-T19 VanDerWaalsContact C-N 3.27Å; E17-T19 PolarHBondContact O-N 3.45Å; T19-R23 PolarHBondContact O-N 2.91Å
20S80.6Confident74.5Confident39 Ų3990.9 Ų90.927%0.27345%0.454SS..Hα-helixtrans-70.6-40.9177-570000111.6H16 E17 A18 K22 R23 L24H16-S20 PolarHBondContact O-N 3.26Å; H16-S20 PolarHBondContact O-OG 2.87Å; E17-S20 CarbonylContact O-C 3.57Å; E17-S20 WeakPolarHBondContact O-CB 3.2Å; E17-S20 PolarHBondContact O-N 2.94Å; E17-S20 VanDerWaalsContact O-N 3.08Å; A18-S20 VanDerWaalsContact C-N 3.34Å; S20-K22 VanDerWaalsContact C-N 3.35Å; S20-K22 PolarHBondContact O-N 3.26Å; S20-R23 PolarHBondContact O-N 3.05Å; S20-L24 WeakPolarHBondContact O-CG 3.39Å; S20-L24 PolarHBondContact O-N 3.2Å; S20-L24 VanDerWaalsContact O-N 3.08Å
21A85.3Confident76.4Confident19 Ų1987.6 Ų87.616%0.15743%0.43CS..Hα-helixtrans-62-42.5175.600000111.5E17 A18 R23 L24 L25 L61 L64E17-A21 WeakPolarHBondContact O-CB 3.23Å; E17-A21 PolarHBondContact O-N 3.31Å; A18-A21 PolarHBondContact O-N 3.46Å; A21-R23 PolarHBondContact O-N 3.33Å; A21-L24 PolarHBondContact O-N 3.34Å; A21-L25 WeakPolarHBondContact O-CG 3.21Å; A21-L25 PolarHBondContact O-N 3.45Å; A21-L61 HydrophobicContact CB-CD2 3.61Å; A21-L64 HydrophobicContact CB-CD2 4.11Å
22K86.6Confident78.4Confident136 Ų13682.8 Ų82.859%0.59142%0.418SS*.Hα-helixtrans-59.8-46.5175.9-169.2176.9-177.81780112A18 S20 L24 L25 D26A18-K22 WeakPolarHBondContact O-CB 3.4Å; A18-K22 PolarHBondContact O-N 3.49Å; S20-K22 VanDerWaalsContact C-N 3.35Å; S20-K22 PolarHBondContact O-N 3.26Å; K22-L24 VanDerWaalsContact C-N 3.28Å; K22-L24 PolarHBondContact O-N 2.81Å; K22-L25 WeakPolarHBondContact O-CB 3.39Å; K22-L25 PolarHBondContact O-N 2.83Å; K22-L25 VanDerWaalsContact O-N 3.11Å; K22-D26 VanDerWaalsContact O-CG 3.32Å; K22-D26 PolarHBondContact O-N 3.31Å
23R88.1Confident80.5Confident186 Ų18679.1 Ų79.170%0.70241%0.408SS*.Hα-helixtrans-59.4-39.1175.9-73-174.7179-1800.6112.6T19 S20 A21 L25 D26 E27T19-R23 PolarHBondContact O-N 2.91Å; S20-R23 PolarHBondContact O-N 3.05Å; A21-R23 PolarHBondContact O-N 3.33Å; R23-L25 VanDerWaalsContact C-N 3.34Å; R23-D26 PolarHBondContact O-N 3.25Å; R23-E27 WeakPolarHBondContact O-CB 3.18Å; R23-E27 PolarHBondContact O-N 3.4Å
24L88.7Confident82.3Confident34 Ų3479.3 Ų79.318%0.17841%0.405CS..Hα-helixtrans-67.4-34.8176.6-71.5167.7000112.4S20 A21 K22 N28 N57 Y60 L61S20-L24 WeakPolarHBondContact O-CG 3.39Å; S20-L24 PolarHBondContact O-N 3.2Å; S20-L24 VanDerWaalsContact O-N 3.08Å; A21-L24 PolarHBondContact O-N 3.34Å; K22-L24 VanDerWaalsContact C-N 3.28Å; K22-L24 PolarHBondContact O-N 2.81Å; L24-N28 WeakPolarHBondContact O-CB 3.49Å; L24-N28 PolarHBondContact O-N 3.49Å; L24-N28 PolarHBondContact O-ND2 3.16Å; L24-N28 PolarHBondContact O-OD1 2.98Å; L24-N57 HydrophobicContact CD2-CB 4.15Å; L24-Y60 HydrophobicContact CD1-CD1 3.33Å; L24-Y60 HydrophobicContact CD1-CE1 3.63Å; L24-L61 HydrophobicContact CB-CD1 4.22Å; L24-L61 HydrophobicContact CB-CD2 4.21Å; L24-L61 HydrophobicContact CB-CG 4.27Å; L24-L61 HydrophobicContact CD1-CD2 4.14Å; L24-L61 HydrophobicContact CD1-CG 4.29Å
25L90.9Very high83.9Confident96 Ų9676.8 Ų76.850%0.50339%0.393SS..Hα-helixtrans-67.3-46.1174.2-70.6171.3000111.5A21 K22 R23 E27 N28 E29 L61A21-L25 WeakPolarHBondContact O-CG 3.21Å; A21-L25 PolarHBondContact O-N 3.45Å; K22-L25 WeakPolarHBondContact O-CB 3.39Å; K22-L25 PolarHBondContact O-N 2.83Å; K22-L25 VanDerWaalsContact O-N 3.11Å; R23-L25 VanDerWaalsContact C-N 3.34Å; L25-E27 VanDerWaalsContact C-N 3.31Å; L25-E27 PolarHBondContact O-N 2.88Å; L25-N28 WeakPolarHBondContact O-CB 3.48Å; L25-N28 PolarHBondContact O-N 3.49Å; L25-N28 VanDerWaalsContact O-N 3.14Å; L25-E29 PolarHBondContact O-N 3.37Å; L25-L61 HydrophobicContact CD2-CD1 3.75Å; L25-L61 HydrophobicContact CG-CD1 4.14Å
26D90.7Very high85.5Confident77 Ų7776.4 Ų76.441%0.41239%0.39SS..Hα-helixtrans-60.2-43.1176.7-61.3-19.5000110.6K22 R23 N28 E29 H30K22-D26 VanDerWaalsContact O-CG 3.32Å; K22-D26 PolarHBondContact O-N 3.31Å; R23-D26 PolarHBondContact O-N 3.25Å; D26-N28 PolarHBondContact O-N 3.2Å; D26-E29 PolarHBondContact O-N 2.95Å; D26-H30 PolarHBondContact O-N 3.4Å; D26-H30 VanDerWaalsContact O-N 3.16Å
27E90.6Very high87.1Confident99 Ų9972.9 Ų72.946%0.46338%0.375SS..Hα-helixtrans-62.7-41.4174.7-17467-155.400111.7R23 L25 E29 H30 I31R23-E27 WeakPolarHBondContact O-CB 3.18Å; R23-E27 PolarHBondContact O-N 3.4Å; L25-E27 VanDerWaalsContact C-N 3.31Å; L25-E27 PolarHBondContact O-N 2.88Å; E27-E29 VanDerWaalsContact C-N 3.33Å; E27-E29 PolarHBondContact O-N 3.39Å; E27-H30 PolarHBondContact O-N 2.96Å; E27-I31 HydrophobicContact CG-CD1 3.84Å; E27-I31 HydrophobicContact CG-CG1 4.41Å; E27-I31 WeakPolarHBondContact O-CB 3.46Å; E27-I31 VanDerWaalsContact O-CG1 3.25Å; E27-I31 WeakPolarHBondContact O-CG1 3.27Å; E27-I31 PolarHBondContact O-N 2.92Å
28N91.2Very high88.3Confident7 Ų771.3 Ų71.34%0.03737%0.368CS..Hα-helixtrans-62.4-40.7177.4-72.4-11.8000111.9L24 L25 D26 I31 I32 L54 N57L24-N28 WeakPolarHBondContact O-CB 3.49Å; L24-N28 PolarHBondContact O-N 3.49Å; L24-N28 PolarHBondContact O-ND2 3.16Å; L24-N28 PolarHBondContact O-OD1 2.98Å; L25-N28 WeakPolarHBondContact O-CB 3.48Å; L25-N28 PolarHBondContact O-N 3.49Å; L25-N28 VanDerWaalsContact O-N 3.14Å; D26-N28 PolarHBondContact O-N 3.2Å; N28-I31 PolarHBondContact O-N 3.46Å; N28-I32 WeakPolarHBondContact O-CB 3.44Å; N28-I32 WeakPolarHBondContact O-CD1 3.29Å; N28-I32 WeakPolarHBondContact O-CG1 3.4Å; N28-I32 PolarHBondContact O-N 2.96Å; N28-L54 HydrophobicContact CB-CD1 3.51Å; N28-L54 VanDerWaalsContact CG-CD1 3.43Å; N28-L54 WeakPolarHBondContact OD1-CD1 3.44Å; N28-N57 WeakPolarHBondContact OD1-CB 3.28Å; N28-N57 PolarHBondContact OD1-ND2 3.4Å
29E92.5Very high89.3Confident119 Ų11970.4 Ų70.456%0.55636%0.361SS*.Hα-helixtrans-61.1-50.2177-171.7168.8-163.700110.8L25 D26 E27 I31 I32 E33L25-E29 PolarHBondContact O-N 3.37Å; D26-E29 PolarHBondContact O-N 2.95Å; E27-E29 VanDerWaalsContact C-N 3.33Å; E27-E29 PolarHBondContact O-N 3.39Å; E29-I31 PolarHBondContact O-N 3.41Å; E29-I32 PolarHBondContact O-N 3.22Å; E29-E33 WeakPolarHBondContact O-CG 3.34Å; E29-E33 PolarHBondContact O-N 3.11Å
30H92.2Very high90.2Very high123 Ų12375.8 Ų75.857%0.56937%0.372SS*.Hα-helixtrans-61.4-40.8175.9-83-46.5000113.5D26 E27 I32 E33 L34D26-H30 PolarHBondContact O-N 3.4Å; D26-H30 VanDerWaalsContact O-N 3.16Å; E27-H30 PolarHBondContact O-N 2.96Å; H30-I32 VanDerWaalsContact C-N 3.34Å; H30-I32 PolarHBondContact O-N 3.18Å; H30-E33 IonicContact ND1-OE2 3.67Å; H30-E33 PolarHBondContact O-N 2.96Å; H30-L34 VanDerWaalsContact O-CB 3.29Å; H30-L34 WeakPolarHBondContact O-CB 3.42Å; H30-L34 PolarHBondContact O-N 3.48Å
31I92Very high90.7Very high5 Ų580.4 Ų80.43%0.02639%0.387CS..Hα-helixtrans-62.2-43.7176.5-74171.1000110.6E27 N28 E29 E33 L34 V35 L50 V53 L54E27-I31 HydrophobicContact CG-CD1 3.84Å; E27-I31 HydrophobicContact CG-CG1 4.41Å; E27-I31 WeakPolarHBondContact O-CB 3.46Å; E27-I31 VanDerWaalsContact O-CG1 3.25Å; E27-I31 WeakPolarHBondContact O-CG1 3.27Å; E27-I31 PolarHBondContact O-N 2.92Å; N28-I31 PolarHBondContact O-N 3.46Å; E29-I31 PolarHBondContact O-N 3.41Å; I31-E33 PolarHBondContact O-N 3.43Å; I31-L34 PolarHBondContact O-N 3.14Å; I31-V35 HydrophobicContact CG2-CG2 4.07Å; I31-V35 VanDerWaalsContact O-CB 3.27Å; I31-V35 WeakPolarHBondContact O-CB 3.03Å; I31-V35 WeakPolarHBondContact O-CG2 3.49Å; I31-V35 PolarHBondContact O-N 3.2Å; I31-L50 HydrophobicContact CG1-CD2 4.4Å; I31-L50 HydrophobicContact CG2-CB 3.98Å; I31-L50 WeakPolarHBondContact CG2-O 3.47Å; I31-V53 HydrophobicContact CD1-CB 4.12Å; I31-V53 HydrophobicContact CD1-CG1 3.65Å; I31-L54 HydrophobicContact CG2-CB 3.86Å; I31-L54 HydrophobicContact CG2-CD2 4.49Å
32I93.4Very high90.8Very high95 Ų9581.4 Ų81.449%0.48740%0.399SS..Hα-helixtrans-61.2-46179.2-71.4163.2000110.5N28 E29 H30 V35 A36 L54N28-I32 WeakPolarHBondContact O-CB 3.44Å; N28-I32 WeakPolarHBondContact O-CD1 3.29Å; N28-I32 WeakPolarHBondContact O-CG1 3.4Å; N28-I32 PolarHBondContact O-N 2.96Å; E29-I32 PolarHBondContact O-N 3.22Å; H30-I32 VanDerWaalsContact C-N 3.34Å; H30-I32 PolarHBondContact O-N 3.18Å; I32-V35 PolarHBondContact O-N 3.34Å; I32-A36 PolarHBondContact O-N 2.95Å; I32-L54 HydrophobicContact CD1-CD1 4.3Å; I32-L54 HydrophobicContact CD1-CD2 4.29Å; I32-L54 HydrophobicContact CG1-CD1 4.2Å; I32-L54 HydrophobicContact CG1-CD2 3.66Å
33E94.1Very high90.9Very high110 Ų11080.7 Ų80.751%0.51439%0.393SS..Hα-helixtrans-59.2-49.2175.7-69.7-178.3159.500111.4E29 H30 I31 V35 A36 D37E29-E33 WeakPolarHBondContact O-CG 3.34Å; E29-E33 PolarHBondContact O-N 3.11Å; H30-E33 IonicContact ND1-OE2 3.67Å; H30-E33 PolarHBondContact O-N 2.96Å; I31-E33 PolarHBondContact O-N 3.43Å; E33-V35 PolarHBondContact O-N 3.32Å; E33-A36 PolarHBondContact O-N 2.9Å; E33-D37 WeakPolarHBondContact O-CB 3.46Å; E33-D37 PolarHBondContact O-N 3.15Å
34L92.1Very high90.8Very high84 Ų8478.2 Ų78.244%0.4439%0.388SS..Hα-helixtrans-65.2-39.6-177.9-171.962.6000111.8H30 I31 D37 L38 L50H30-L34 VanDerWaalsContact O-CB 3.29Å; H30-L34 WeakPolarHBondContact O-CB 3.42Å; H30-L34 PolarHBondContact O-N 3.48Å; I31-L34 PolarHBondContact O-N 3.14Å; L34-D37 WeakPolarHBondContact O-CB 3.38Å; L34-D37 PolarHBondContact O-N 3.19Å; L34-L38 HydrophobicContact CG-CD1 4.03Å; L34-L38 HydrophobicContact CG-CG 4.42Å; L34-L38 WeakPolarHBondContact O-CB 3.42Å; L34-L38 WeakPolarHBondContact O-CG 3.37Å; L34-L38 PolarHBondContact O-N 2.96Å; L34-L50 HydrophobicContact CB-CD1 4.18Å; L34-L50 HydrophobicContact CD2-CD1 3.49Å; L34-L50 VanDerWaalsContact CD2-CD1 3.49Å; L34-L50 HydrophobicContact CD2-CD2 4.35Å; L34-L50 HydrophobicContact CG-CD1 3.7Å
35V91.9Very high90.7Very high22 Ų2287.1 Ų87.113%0.13342%0.419CS..Hα-helixtrans-60.5-47.4174.4160.60000110.7I31 I32 E33 D37 L38 A39 S47 L50I31-V35 HydrophobicContact CG2-CG2 4.07Å; I31-V35 VanDerWaalsContact O-CB 3.27Å; I31-V35 WeakPolarHBondContact O-CB 3.03Å; I31-V35 WeakPolarHBondContact O-CG2 3.49Å; I31-V35 PolarHBondContact O-N 3.2Å; I32-V35 PolarHBondContact O-N 3.34Å; E33-V35 PolarHBondContact O-N 3.32Å; V35-D37 VanDerWaalsContact C-N 3.27Å; V35-D37 PolarHBondContact O-N 3.4Å; V35-L38 PolarHBondContact O-N 2.93Å; V35-A39 WeakPolarHBondContact O-CB 3.41Å; V35-A39 PolarHBondContact O-N 2.98Å; V35-S47 WeakPolarHBondContact CG1-OG 3.25Å; V35-L50 HydrophobicContact CG2-CB 3.51Å; V35-L50 HydrophobicContact CG2-CD1 4.13Å
36A91.6Very high90.5Very high48 Ų4885.9 Ų85.940%0.39741%0.41SS..Hα-helixtrans-60.6-40.2176.400000111.3I32 E33 R40I32-A36 PolarHBondContact O-N 2.95Å; E33-A36 PolarHBondContact O-N 2.9Å; A36-R40 WeakPolarHBondContact O-CG 3.39Å; A36-R40 PolarHBondContact O-N 3.46Å
37D93Very high90.3Very high49 Ų4982.7 Ų82.726%0.26239%0.394SS..Hα-helixtrans-64.3-45.2177-12340.6000113.1E33 L34 V35 R40 K41E33-D37 WeakPolarHBondContact O-CB 3.46Å; E33-D37 PolarHBondContact O-N 3.15Å; L34-D37 WeakPolarHBondContact O-CB 3.38Å; L34-D37 PolarHBondContact O-N 3.19Å; V35-D37 VanDerWaalsContact C-N 3.27Å; V35-D37 PolarHBondContact O-N 3.4Å; D37-R40 PolarHBondContact O-N 3.43Å; D37-R40 IonicContact OD1-CZ 3.56Å; D37-R40 IonicContact OD1-NE 3.71Å; D37-R40 IonicContact OD1-NH2 2.64Å; D37-R40 PolarHBondContact OD1-NH2 3Å; D37-K41 WeakPolarHBondContact O-CD 3.43Å; D37-K41 VanDerWaalsContact O-CG 3.3Å; D37-K41 WeakPolarHBondContact O-CG 3.48Å; D37-K41 PolarHBondContact O-N 3.03Å; D37-K41 VanDerWaalsContact O-N 3.09Å; D37-K41 IonicContact OD2-NZ 2.75Å; D37-K41 PolarHBondContact OD2-NZ 3.47Å
38L90.3Very high90.2Very high6 Ų682.5 Ų82.53%0.03140%0.399CS..Hα-helixtrans-68-39.1178.3-71.1168.6000111.6L34 V35 K41 G42 R43 E46 L50L34-L38 HydrophobicContact CG-CD1 4.03Å; L34-L38 HydrophobicContact CG-CG 4.42Å; L34-L38 WeakPolarHBondContact O-CB 3.42Å; L34-L38 WeakPolarHBondContact O-CG 3.37Å; L34-L38 PolarHBondContact O-N 2.96Å; V35-L38 PolarHBondContact O-N 2.93Å; L38-K41 CarbonylContact O-C 3.43Å; L38-K41 PolarHBondContact O-N 3.27Å; L38-K41 VanDerWaalsContact O-N 3.14Å; L38-G42 PolarHBondContact O-N 3.31Å; L38-R43 HydrophobicContact CB-CB 4.12Å; L38-R43 HydrophobicContact CD2-CB 3.74Å; L38-R43 HydrophobicContact CD2-CG 4.28Å; L38-R43 PolarHBondContact O-N 3.21Å; L38-E46 HydrophobicContact CD1-CB 3.76Å; L38-E46 HydrophobicContact CD2-CB 4.43Å; L38-L50 HydrophobicContact CD1-CD1 3.44Å; L38-L50 VanDerWaalsContact CD1-CD1 3.44Å
39A87Confident90.1Very high41 Ų4188.6 Ų88.634%0.33943%0.428SS..Hα-helixtrans-61.3-44.5174.500000111.2V35 K41 G42V35-A39 WeakPolarHBondContact O-CB 3.41Å; V35-A39 PolarHBondContact O-N 2.98Å; A39-K41 PolarHBondContact O-N 3.48Å; A39-G42 PolarHBondContact O-N 2.76Å; A39-G42 VanDerWaalsContact O-N 3.08Å
40R90.6Very high90.1Very high196 Ų19684.8 Ų84.874%0.7441%0.411SS*.Hα-helixtrans-59.9-33.9173.3-73.9-170.6-67.2-152.42.2112.9A36 D37 G42A36-R40 WeakPolarHBondContact O-CG 3.39Å; A36-R40 PolarHBondContact O-N 3.46Å; D37-R40 PolarHBondContact O-N 3.43Å; D37-R40 IonicContact OD1-CZ 3.56Å; D37-R40 IonicContact OD1-NE 3.71Å; D37-R40 IonicContact OD1-NH2 2.64Å; D37-R40 PolarHBondContact OD1-NH2 3Å; R40-G42 VanDerWaalsContact C-N 3.33Å
41K91Very high89.9Confident136 Ų13683.4 Ų83.459%0.59141%0.405SS*.THydrogen-bonded Turntrans-84.7-1178-67.9164.4-177.1159.30113.5D37 L38 A39 R43D37-K41 WeakPolarHBondContact O-CD 3.43Å; D37-K41 VanDerWaalsContact O-CG 3.3Å; D37-K41 WeakPolarHBondContact O-CG 3.48Å; D37-K41 PolarHBondContact O-N 3.03Å; D37-K41 VanDerWaalsContact O-N 3.09Å; D37-K41 IonicContact OD2-NZ 2.75Å; D37-K41 PolarHBondContact OD2-NZ 3.47Å; L38-K41 CarbonylContact O-C 3.43Å; L38-K41 PolarHBondContact O-N 3.27Å; L38-K41 VanDerWaalsContact O-N 3.14Å; A39-K41 PolarHBondContact O-N 3.48Å; K41-R43 VanDerWaalsContact C-N 3.29Å; K41-R43 HydrophobicContact CB-CG 4.44Å; K41-R43 PolarHBondContact O-N 3.32Å
42G88.8Confident89.9Confident40 Ų4085.8 Ų85.841%0.41243%0.425SS..THydrogen-bonded Turntrans73.412.4-176.900000115.1L38 A39 R40 F44L38-G42 PolarHBondContact O-N 3.31Å; A39-G42 PolarHBondContact O-N 2.76Å; A39-G42 VanDerWaalsContact O-N 3.08Å; R40-G42 VanDerWaalsContact C-N 3.33Å; G42-F44 VanDerWaalsContact C-N 3.26Å; G42-F44 VanDerWaalsContact O-CD2 3.23Å; G42-F44 WeakPolarHBondContact O-CD2 3.38Å; G42-F44 PolarHBondContact O-N 3.49Å
43R87.7Confident89.8Confident122 Ų12284.3 Ų84.346%0.4642%0.421SS..  trans-85.559.8-179.5-68.117971.9-175.918.1111.7L38 K41 R45 E46 S47L38-R43 HydrophobicContact CB-CB 4.12Å; L38-R43 HydrophobicContact CD2-CB 3.74Å; L38-R43 HydrophobicContact CD2-CG 4.28Å; L38-R43 PolarHBondContact O-N 3.21Å; K41-R43 VanDerWaalsContact C-N 3.29Å; K41-R43 HydrophobicContact CB-CG 4.44Å; K41-R43 PolarHBondContact O-N 3.32Å; R43-R45 VanDerWaalsContact C-N 3.31Å; R43-R45 PolarHBondContact O-N 2.96Å; R43-E46 IonicContact CZ-OE1 3Å; R43-E46 IonicContact CZ-OE2 2.98Å; R43-E46 IonicContact NE-OE1 2.8Å; R43-E46 PolarHBondContact NE-OE1 3.15Å; R43-E46 IonicContact NE-OE2 3.44Å; R43-E46 PolarHBondContact NE-OE2 3.1Å; R43-E46 IonicContact NH1-OE2 3.55Å; R43-E46 IonicContact NH2-OE1 2.65Å; R43-E46 PolarHBondContact NH2-OE1 3.39Å; R43-E46 IonicContact NH2-OE2 2.68Å; R43-E46 PolarHBondContact NH2-OE2 3.48Å; R43-E46 PolarHBondContact O-N 3.08Å; R43-S47 PolarHBondContact O-N 3.2Å
44F85.9Confident89.6Confident134 Ų13480.2 Ų80.259%0.58840%0.402SS*.Hα-helixtrans-62-31.7-172.6-58.1-68.3000114.3G42 S47 V48G42-F44 VanDerWaalsContact C-N 3.26Å; G42-F44 VanDerWaalsContact O-CD2 3.23Å; G42-F44 WeakPolarHBondContact O-CD2 3.38Å; G42-F44 PolarHBondContact O-N 3.49Å; F44-S47 WeakPolarHBondContact O-CB 3.33Å; F44-S47 PolarHBondContact O-N 3.42Å; F44-V48 VanDerWaalsContact O-CG2 3.28Å; F44-V48 WeakPolarHBondContact O-CG2 3.46Å; F44-V48 PolarHBondContact O-N 2.91Å
45R86.7Confident89.7Confident220 Ų22082.2 Ų82.283%0.8341%0.409SS*.Hα-helixtrans-63.7-44.2179.3-70.9-176.299.5-171.97.5112.6R43 V48 Q49R43-R45 VanDerWaalsContact C-N 3.31Å; R43-R45 PolarHBondContact O-N 2.96Å; R45-V48 PolarHBondContact O-N 3.28Å; R45-Q49 PolarHBondContact O-N 3.28Å
46E86.4Confident89.7Confident70 Ų7090.5 Ų90.533%0.32744%0.438SS..Hα-helixtrans-72.1-37.5178.5-74.7164.7-110.700111.3L38 R43 V48 Q49 L50L38-E46 HydrophobicContact CD1-CB 3.76Å; L38-E46 HydrophobicContact CD2-CB 4.43Å; R43-E46 IonicContact CZ-OE1 3Å; R43-E46 IonicContact CZ-OE2 2.98Å; R43-E46 IonicContact NE-OE1 2.8Å; R43-E46 PolarHBondContact NE-OE1 3.15Å; R43-E46 IonicContact NE-OE2 3.44Å; R43-E46 PolarHBondContact NE-OE2 3.1Å; R43-E46 IonicContact NH1-OE2 3.55Å; R43-E46 IonicContact NH2-OE1 2.65Å; R43-E46 PolarHBondContact NH2-OE1 3.39Å; R43-E46 IonicContact NH2-OE2 2.68Å; R43-E46 PolarHBondContact NH2-OE2 3.48Å; R43-E46 PolarHBondContact O-N 3.08Å; E46-V48 VanDerWaalsContact C-N 3.29Å; E46-V48 PolarHBondContact O-N 3Å; E46-Q49 PolarHBondContact O-N 3.45Å; E46-L50 WeakPolarHBondContact O-CB 3.32Å; E46-L50 WeakPolarHBondContact O-CG 3.44Å; E46-L50 PolarHBondContact O-N 3.01Å
47S86.8Confident89.6Confident11 Ų1189.1 Ų89.18%0.07742%0.424CS..Hα-helixtrans-54.1-46170.8177.90000111.5V35 R43 F44 L50 Q51V35-S47 WeakPolarHBondContact CG1-OG 3.25Å; R43-S47 PolarHBondContact O-N 3.2Å; F44-S47 WeakPolarHBondContact O-CB 3.33Å; F44-S47 PolarHBondContact O-N 3.42Å; S47-L50 PolarHBondContact O-N 2.98Å; S47-Q51 VanDerWaalsContact O-CB 3.29Å; S47-Q51 WeakPolarHBondContact O-CB 3.48Å; S47-Q51 PolarHBondContact O-N 3.44Å
48V89Confident89.5Confident94 Ų9490.9 Ų90.957%0.5743%0.433SS*.Hα-helixtrans-65.6-40.4179.5170.90000111.8F44 R45 E46 Q51 A52F44-V48 VanDerWaalsContact O-CG2 3.28Å; F44-V48 WeakPolarHBondContact O-CG2 3.46Å; F44-V48 PolarHBondContact O-N 2.91Å; R45-V48 PolarHBondContact O-N 3.28Å; E46-V48 VanDerWaalsContact C-N 3.29Å; E46-V48 PolarHBondContact O-N 3Å; V48-Q51 PolarHBondContact O-N 2.91Å; V48-A52 PolarHBondContact O-N 2.8Å
49Q90.2Very high89.6Confident136 Ų13695.1 Ų95.164%0.63646%0.459SS*.Hα-helixtrans-62.7-46.7177.2-74.1179-19.600111.8R45 E46 Q51 A52 V53R45-Q49 PolarHBondContact O-N 3.28Å; E46-Q49 PolarHBondContact O-N 3.45Å; Q49-Q51 VanDerWaalsContact C-N 3.28Å; Q49-Q51 PolarHBondContact O-N 3.44Å; Q49-A52 WeakPolarHBondContact O-CB 3.34Å; Q49-A52 PolarHBondContact O-N 3.35Å; Q49-V53 PolarHBondContact O-N 3.1Å
50L90.5Very high89.7Confident39 Ų3998.6 Ų98.620%0.20446%0.464CS..Hα-helixtrans-63.4-37.2176.6-73175000111.8I31 L34 V35 L38 E46 S47 A52 V53 L54I31-L50 HydrophobicContact CG1-CD2 4.4Å; I31-L50 HydrophobicContact CG2-CB 3.98Å; I31-L50 WeakPolarHBondContact CG2-O 3.47Å; L34-L50 HydrophobicContact CB-CD1 4.18Å; L34-L50 HydrophobicContact CD2-CD1 3.49Å; L34-L50 VanDerWaalsContact CD2-CD1 3.49Å; L34-L50 HydrophobicContact CD2-CD2 4.35Å; L34-L50 HydrophobicContact CG-CD1 3.7Å; V35-L50 HydrophobicContact CG2-CB 3.51Å; V35-L50 HydrophobicContact CG2-CD1 4.13Å; L38-L50 HydrophobicContact CD1-CD1 3.44Å; L38-L50 VanDerWaalsContact CD1-CD1 3.44Å; E46-L50 WeakPolarHBondContact O-CB 3.32Å; E46-L50 WeakPolarHBondContact O-CG 3.44Å; E46-L50 PolarHBondContact O-N 3.01Å; S47-L50 PolarHBondContact O-N 2.98Å; L50-A52 VanDerWaalsContact C-N 3.3Å; L50-A52 PolarHBondContact O-N 3.37Å; L50-V53 WeakPolarHBondContact O-CB 3.31Å; L50-V53 PolarHBondContact O-N 2.89Å; L50-V53 VanDerWaalsContact O-N 3.15Å; L50-L54 PolarHBondContact O-N 3.44Å
51Q90Very high89.5Confident93 Ų9390.3 Ų90.344%0.43543%0.434SS..Hα-helixtrans-65.8-32.9176.6-159.9155.618.400112.6S47 V48 Q49 L54 Q55S47-Q51 VanDerWaalsContact O-CB 3.29Å; S47-Q51 WeakPolarHBondContact O-CB 3.48Å; S47-Q51 PolarHBondContact O-N 3.44Å; V48-Q51 PolarHBondContact O-N 2.91Å; Q49-Q51 VanDerWaalsContact C-N 3.28Å; Q49-Q51 PolarHBondContact O-N 3.44Å; Q51-L54 PolarHBondContact O-N 3.33Å; Q51-Q55 WeakPolarHBondContact O-CG 3.47Å; Q51-Q55 PolarHBondContact O-N 3.47Å
52A91.4Very high89.4Confident55 Ų5587.9 Ų87.946%0.45543%0.431SS..Hα-helixtrans-67.2-38171.800000112.3V48 Q49 L50 Q55 R56V48-A52 PolarHBondContact O-N 2.8Å; Q49-A52 WeakPolarHBondContact O-CB 3.34Å; Q49-A52 PolarHBondContact O-N 3.35Å; L50-A52 VanDerWaalsContact C-N 3.3Å; L50-A52 PolarHBondContact O-N 3.37Å; A52-Q55 PolarHBondContact O-N 3.21Å; A52-R56 PolarHBondContact O-N 3.05Å; A52-R56 VanDerWaalsContact O-N 3.1Å
53V90.4Very high89.3Confident65 Ų6588.2 Ų88.239%0.39443%0.427SS..Hα-helixtrans-64.7-45.9173.9179.30000110.6I31 Q49 L50 Q55 R56 N57I31-V53 HydrophobicContact CD1-CB 4.12Å; I31-V53 HydrophobicContact CD1-CG1 3.65Å; Q49-V53 PolarHBondContact O-N 3.1Å; L50-V53 WeakPolarHBondContact O-CB 3.31Å; L50-V53 PolarHBondContact O-N 2.89Å; L50-V53 VanDerWaalsContact O-N 3.15Å; V53-Q55 VanDerWaalsContact C-N 3.33Å; V53-Q55 PolarHBondContact O-N 3.05Å; V53-R56 WeakPolarHBondContact O-CB 3.3Å; V53-R56 PolarHBondContact O-N 3.08Å; V53-R56 VanDerWaalsContact O-N 3.15Å; V53-N57 PolarHBondContact O-N 2.84Å
54L91.2Very high89.2Confident24 Ų2483 Ų8313%0.12641%0.408CS..Hα-helixtrans-56.3-46.4175.918061.6000111.9N28 I31 I32 L50 Q51 R56 N57 L58N28-L54 HydrophobicContact CB-CD1 3.51Å; N28-L54 VanDerWaalsContact CG-CD1 3.43Å; N28-L54 WeakPolarHBondContact OD1-CD1 3.44Å; I31-L54 HydrophobicContact CG2-CB 3.86Å; I31-L54 HydrophobicContact CG2-CD2 4.49Å; I32-L54 HydrophobicContact CD1-CD1 4.3Å; I32-L54 HydrophobicContact CD1-CD2 4.29Å; I32-L54 HydrophobicContact CG1-CD1 4.2Å; I32-L54 HydrophobicContact CG1-CD2 3.66Å; L50-L54 PolarHBondContact O-N 3.44Å; Q51-L54 PolarHBondContact O-N 3.33Å; L54-R56 VanDerWaalsContact C-N 3.34Å; L54-R56 PolarHBondContact O-N 2.83Å; L54-N57 PolarHBondContact O-N 3.2Å; L54-L58 HydrophobicContact CD1-CD1 4.41Å; L54-L58 HydrophobicContact CD1-CG 4.48Å; L54-L58 HydrophobicContact CG-CD1 4.23Å; L54-L58 WeakPolarHBondContact O-CG 3.48Å; L54-L58 PolarHBondContact O-N 3.35Å
55Q92.4Very high89.1Confident126 Ų12680.4 Ų80.459%0.58940%0.403SS*.Hα-helixtrans-60.3-43.5177.2-78.2-179.4-21.600112Q51 A52 V53 N57 L58 V59Q51-Q55 WeakPolarHBondContact O-CG 3.47Å; Q51-Q55 PolarHBondContact O-N 3.47Å; A52-Q55 PolarHBondContact O-N 3.21Å; V53-Q55 VanDerWaalsContact C-N 3.33Å; V53-Q55 PolarHBondContact O-N 3.05Å; Q55-N57 VanDerWaalsContact C-N 3.33Å; Q55-N57 PolarHBondContact O-N 2.93Å; Q55-L58 PolarHBondContact O-N 3.49Å; Q55-V59 VanDerWaalsContact O-CG2 3.32Å; Q55-V59 WeakPolarHBondContact O-CG2 3.43Å; Q55-V59 PolarHBondContact O-N 3.44Å
56R92.1Very high88.8Confident195 Ų19574.1 Ų74.174%0.73639%0.386SS*.Hα-helixtrans-60.4-44.7177.3-177.5-178.7177.9174.2-0.3111.6A52 V53 L54 V59 Y60A52-R56 PolarHBondContact O-N 3.05Å; A52-R56 VanDerWaalsContact O-N 3.1Å; V53-R56 WeakPolarHBondContact O-CB 3.3Å; V53-R56 PolarHBondContact O-N 3.08Å; V53-R56 VanDerWaalsContact O-N 3.15Å; L54-R56 VanDerWaalsContact C-N 3.34Å; L54-R56 PolarHBondContact O-N 2.83Å; R56-V59 PolarHBondContact O-N 2.95Å; R56-Y60 WeakPolarHBondContact O-CB 3.46Å; R56-Y60 PolarHBondContact O-N 2.78Å
57N89.9Confident88.4Confident19 Ų1975.7 Ų75.710%0.10239%0.393CS..Hα-helixtrans-63.9-42.5179.9-70.9-3000111.5L24 N28 V53 L54 Q55 Y60 L61L24-N57 HydrophobicContact CD2-CB 4.15Å; N28-N57 WeakPolarHBondContact OD1-CB 3.28Å; N28-N57 PolarHBondContact OD1-ND2 3.4Å; V53-N57 PolarHBondContact O-N 2.84Å; L54-N57 PolarHBondContact O-N 3.2Å; Q55-N57 VanDerWaalsContact C-N 3.33Å; Q55-N57 PolarHBondContact O-N 2.93Å; N57-Y60 PolarHBondContact O-N 3.26Å; N57-L61 WeakPolarHBondContact O-CB 3.43Å; N57-L61 WeakPolarHBondContact O-CG 3.38Å; N57-L61 PolarHBondContact O-N 2.89Å
58L91.2Very high87.9Confident86 Ų8677.2 Ų77.245%0.4540%0.4SS..Hα-helixtrans-63.1-45.7176.6-71.2172.8000112.1L54 Q55 Y60 L61 V62L54-L58 HydrophobicContact CD1-CD1 4.41Å; L54-L58 HydrophobicContact CD1-CG 4.48Å; L54-L58 HydrophobicContact CG-CD1 4.23Å; L54-L58 WeakPolarHBondContact O-CG 3.48Å; L54-L58 PolarHBondContact O-N 3.35Å; Q55-L58 PolarHBondContact O-N 3.49Å; L58-Y60 VanDerWaalsContact C-N 3.31Å; L58-Y60 PolarHBondContact O-N 3.22Å; L58-L61 PolarHBondContact O-N 2.91Å; L58-V62 WeakPolarHBondContact O-CG2 3.43Å; L58-V62 PolarHBondContact O-N 3.49Å
59V91.8Very high87Confident95 Ų9577.2 Ų77.258%0.57640%0.397SS*.Hα-helixtrans-63-39.8177.4173.40000111.2Q55 R56 V62 S63Q55-V59 VanDerWaalsContact O-CG2 3.32Å; Q55-V59 WeakPolarHBondContact O-CG2 3.43Å; Q55-V59 PolarHBondContact O-N 3.44Å; R56-V59 PolarHBondContact O-N 2.95Å; V59-V62 PolarHBondContact O-N 2.79Å; V59-S63 WeakPolarHBondContact O-CB 3.48Å; V59-S63 PolarHBondContact O-N 3.05Å; V59-S63 PolarHBondContact O-OG 2.79Å
60Y89.5Confident85.7Confident115 Ų11576.3 Ų76.345%0.45140%0.396SS..Hα-helixtrans-64.9-43.6175.7-179.1-99.4000111.9L24 R56 N57 L58 V62 S63 L64L24-Y60 HydrophobicContact CD1-CD1 3.33Å; L24-Y60 HydrophobicContact CD1-CE1 3.63Å; R56-Y60 WeakPolarHBondContact O-CB 3.46Å; R56-Y60 PolarHBondContact O-N 2.78Å; N57-Y60 PolarHBondContact O-N 3.26Å; L58-Y60 VanDerWaalsContact C-N 3.31Å; L58-Y60 PolarHBondContact O-N 3.22Å; Y60-V62 PolarHBondContact O-N 3.18Å; Y60-S63 WeakPolarHBondContact O-CB 3.21Å; Y60-S63 PolarHBondContact O-N 3.28Å; Y60-L64 HydrophobicContact CE1-CD1 4.31Å; Y60-L64 WeakPolarHBondContact O-CB 3.4Å; Y60-L64 PolarHBondContact O-N 3.35Å
61L87.6Confident84.2Confident21 Ų2179.7 Ų79.711%0.1141%0.414CS..Hα-helixtrans-60.8-44.2175.1-75.8170.2000111.9A21 L24 L25 N57 L58 S63 L64 V65A21-L61 HydrophobicContact CB-CD2 3.61Å; L24-L61 HydrophobicContact CB-CD1 4.22Å; L24-L61 HydrophobicContact CB-CD2 4.21Å; L24-L61 HydrophobicContact CB-CG 4.27Å; L24-L61 HydrophobicContact CD1-CD2 4.14Å; L24-L61 HydrophobicContact CD1-CG 4.29Å; L25-L61 HydrophobicContact CD2-CD1 3.75Å; L25-L61 HydrophobicContact CG-CD1 4.14Å; N57-L61 WeakPolarHBondContact O-CB 3.43Å; N57-L61 WeakPolarHBondContact O-CG 3.38Å; N57-L61 PolarHBondContact O-N 2.89Å; L58-L61 PolarHBondContact O-N 2.91Å; L61-S63 VanDerWaalsContact C-N 3.33Å; L61-S63 PolarHBondContact O-N 3.34Å; L61-L64 WeakPolarHBondContact O-CB 3.21Å; L61-L64 PolarHBondContact O-N 3.13Å; L61-V65 VanDerWaalsContact O-CG2 3.3Å; L61-V65 WeakPolarHBondContact O-CG2 3.13Å; L61-V65 PolarHBondContact O-N 2.73Å
62V88.2Confident82.6Confident85 Ų8579 Ų7952%0.51542%0.42SS..Hα-helixtrans-60-45.6174.6171.60000110.4L58 V59 Y60 L64 V65 D66L58-V62 WeakPolarHBondContact O-CG2 3.43Å; L58-V62 PolarHBondContact O-N 3.49Å; V59-V62 PolarHBondContact O-N 2.79Å; Y60-V62 PolarHBondContact O-N 3.18Å; V62-L64 VanDerWaalsContact C-N 3.29Å; V62-L64 PolarHBondContact O-N 3.17Å; V62-V65 PolarHBondContact O-N 2.85Å; V62-D66 WeakPolarHBondContact O-CB 3.41Å; V62-D66 PolarHBondContact O-N 3.36Å
63S87.3Confident80.7Confident48 Ų4883.8 Ų83.834%0.33643%0.431SS..Hα-helixtrans-61-39.2177.9-55.40000112.2V59 Y60 L61 D66 Q67V59-S63 WeakPolarHBondContact O-CB 3.48Å; V59-S63 PolarHBondContact O-N 3.05Å; V59-S63 PolarHBondContact O-OG 2.79Å; Y60-S63 WeakPolarHBondContact O-CB 3.21Å; Y60-S63 PolarHBondContact O-N 3.28Å; L61-S63 VanDerWaalsContact C-N 3.33Å; L61-S63 PolarHBondContact O-N 3.34Å; S63-D66 PolarHBondContact O-N 3.4Å; S63-Q67 WeakPolarHBondContact O-CB 3.45Å; S63-Q67 WeakPolarHBondContact O-CG 3.44Å; S63-Q67 PolarHBondContact O-N 3.49Å
64L84.1Confident78.7Confident11 Ų1188.4 Ų88.46%0.05845%0.448CS..Hα-helixtrans-65.2-44.4176.9-151.976.2000111.3E17 A21 Y60 L61 V62 Q67 N68E17-L64 HydrophobicContact CB-CD2 4.04Å; E17-L64 HydrophobicContact CG-CD1 3.95Å; E17-L64 HydrophobicContact CG-CD2 4.29Å; E17-L64 HydrophobicContact CG-CG 4.37Å; E17-L64 WeakPolarHBondContact OE1-CD1 3.48Å; A21-L64 HydrophobicContact CB-CD2 4.11Å; Y60-L64 HydrophobicContact CE1-CD1 4.31Å; Y60-L64 WeakPolarHBondContact O-CB 3.4Å; Y60-L64 PolarHBondContact O-N 3.35Å; L61-L64 WeakPolarHBondContact O-CB 3.21Å; L61-L64 PolarHBondContact O-N 3.13Å; V62-L64 VanDerWaalsContact C-N 3.29Å; V62-L64 PolarHBondContact O-N 3.17Å; L64-Q67 PolarHBondContact O-N 3.38Å; L64-N68 WeakPolarHBondContact O-CB 3.22Å; L64-N68 PolarHBondContact O-N 3.08Å; L64-N68 PolarHBondContact O-ND2 3.21Å
65V83.5Confident76.8Confident80 Ų8092.4 Ų92.449%0.48547%0.474SS..Hα-helixtrans-65.2-42.8177.21700000110.1L61 V62 N68 N69L61-V65 VanDerWaalsContact O-CG2 3.3Å; L61-V65 WeakPolarHBondContact O-CG2 3.13Å; L61-V65 PolarHBondContact O-N 2.73Å; V62-V65 PolarHBondContact O-N 2.85Å; V65-N68 PolarHBondContact O-N 3.38Å; V65-N69 WeakPolarHBondContact CG1-ND2 3.41Å; V65-N69 WeakPolarHBondContact O-CB 3.38Å; V65-N69 PolarHBondContact O-N 3.35Å; V65-N69 PolarHBondContact O-ND2 3.07Å
66D81.9Confident75.2Confident88 Ų8891.6 Ų91.647%0.47148%0.477SS..Hα-helixtrans-62.2-45.4176.5-75.5-19000111.1V62 S63 N68 N69 L70V62-D66 WeakPolarHBondContact O-CB 3.41Å; V62-D66 PolarHBondContact O-N 3.36Å; S63-D66 PolarHBondContact O-N 3.4Å; D66-N68 PolarHBondContact O-N 3.22Å; D66-N69 PolarHBondContact O-N 3.02Å; D66-L70 WeakPolarHBondContact O-CG 3.47Å; D66-L70 PolarHBondContact O-N 2.98Å
67Q78.2Confident73.3Confident104 Ų10489.4 Ų89.449%0.48648%0.48SS..Hα-helixtrans-58.8-48.7175.3-73.9169.814.500111.9S63 L64 N69 L70 D71S63-Q67 WeakPolarHBondContact O-CB 3.45Å; S63-Q67 WeakPolarHBondContact O-CG 3.44Å; S63-Q67 PolarHBondContact O-N 3.49Å; L64-Q67 PolarHBondContact O-N 3.38Å; Q67-N69 VanDerWaalsContact C-N 3.3Å; Q67-N69 PolarHBondContact O-N 3.44Å; Q67-L70 PolarHBondContact O-N 2.94Å; Q67-D71 PolarHBondContact O-N 3.47Å
68N75.5Confident71.8Confident42 Ų4294 Ų9423%0.22551%0.509CS..Hα-helixtrans-63.1-34.3177.3-82.7-83.6000112.6E17 L64 V65 D66 S72E17-N68 PolarHBondContact OE2-ND2 3.05Å; E17-N68 VanDerWaalsContact OE2-ND2 3.13Å; L64-N68 WeakPolarHBondContact O-CB 3.22Å; L64-N68 PolarHBondContact O-N 3.08Å; L64-N68 PolarHBondContact O-ND2 3.21Å; V65-N68 PolarHBondContact O-N 3.38Å; D66-N68 PolarHBondContact O-N 3.22Å; N68-S72 WeakPolarHBondContact O-CB 3.43Å; N68-S72 PolarHBondContact O-N 2.87Å; N68-S72 VanDerWaalsContact O-N 3.17Å; N68-S72 PolarHBondContact O-OG 2.87Å
69N70.1Confident69.8Low94 Ų9497.2 Ų97.250%0.50353%0.526SS..Hα-helixtrans-73.1-34.6175.5-80.4-65.4000112.7V65 D66 Q67 S72 K73V65-N69 WeakPolarHBondContact CG1-ND2 3.41Å; V65-N69 WeakPolarHBondContact O-CB 3.38Å; V65-N69 PolarHBondContact O-N 3.35Å; V65-N69 PolarHBondContact O-ND2 3.07Å; D66-N69 PolarHBondContact O-N 3.02Å; Q67-N69 VanDerWaalsContact C-N 3.3Å; Q67-N69 PolarHBondContact O-N 3.44Å; N69-S72 PolarHBondContact O-N 3.39Å; N69-K73 WeakPolarHBondContact O-CB 3.22Å; N69-K73 PolarHBondContact O-N 3.28Å; N69-K73 VanDerWaalsContact O-N 3.08Å
70L62.9Low68.2Low118 Ų11899.6 Ų99.662%0.61854%0.541SS*.Hα-helixtrans-67-43.1174.9-69170.7000111.1D66 Q67 S72 K73 Q74D66-L70 WeakPolarHBondContact O-CG 3.47Å; D66-L70 PolarHBondContact O-N 2.98Å; Q67-L70 PolarHBondContact O-N 2.94Å; L70-S72 PolarHBondContact O-N 3.34Å; L70-K73 PolarHBondContact O-N 3.19Å; L70-Q74 PolarHBondContact O-N 3.2Å
71D58.4Low66.2Low109 Ų109103.4 Ų103.458%0.58358%0.583SS**Hα-helixtrans-61.2-35.1174.7-68.2-14.8000111.7Q67 K73Q67-D71 PolarHBondContact O-N 3.47Å; D71-K73 VanDerWaalsContact C-N 3.35Å
72S56.5Low65.1Low80 Ų80107.6 Ų107.656%0.55961%0.606SS**Hα-helixtrans-74.7-22.5176.6-560000113.4N68 N69 L70 T75N68-S72 WeakPolarHBondContact O-CB 3.43Å; N68-S72 PolarHBondContact O-N 2.87Å; N68-S72 VanDerWaalsContact O-N 3.17Å; N68-S72 PolarHBondContact O-OG 2.87Å; N69-S72 PolarHBondContact O-N 3.39Å; L70-S72 PolarHBondContact O-N 3.34Å; S72-T75 PolarHBondContact O-OG1 3.33Å
73K51.4Low63.9Low155 Ų155108.7 Ų108.767%0.67461%0.611SS**Hα-helixtrans-91.3-15.7-176.6-156.8169-178.4179.70113.2N69 L70 D71 T75N69-K73 WeakPolarHBondContact O-CB 3.22Å; N69-K73 PolarHBondContact O-N 3.28Å; N69-K73 VanDerWaalsContact O-N 3.08Å; L70-K73 PolarHBondContact O-N 3.19Å; D71-K73 VanDerWaalsContact C-N 3.35Å; K73-T75 PolarHBondContact O-N 3.44Å
74Q49.7Very low62.6Low161 Ų161112.1 Ų112.175%0.75263%0.626SS**THydrogen-bonded Turntrans-71.5-5.2178.1-166.3161.26.200113.9L70L70-Q74 PolarHBondContact O-N 3.2Å
75T51.7Low61.4Low109 Ų109118.1 Ų118.167%0.66966%0.66SS**THydrogen-bonded Turntrans-924.6-178.8630000115.4S72 K73S72-T75 PolarHBondContact O-OG1 3.33Å; K73-T75 PolarHBondContact O-N 3.44Å
76V56.8Low60Low108 Ų108120.4 Ų120.466%0.65567%0.671SS**SBendtrans-107.8-16-170.5-163.70000114.5
77D52.2Low58.5Low149 Ų149122.6 Ų122.680%0.79768%0.684SS**SBendtrans-109.219.8-169.4-65.2-34.3000115.9
78T58.9Low57.1Low117 Ų117123.9 Ų123.972%0.71870%0.698SS**SBendtrans-112.41.3179.155.50000116.8
79D50.4Low55.7Low153 Ų153130.2 Ų130.282%0.81874%0.735SS**  trans-117.844.6-179.8-70.9-44.8000113.6
80T56.7Low54.5Low144 Ų144133.3 Ų133.388%0.88375%0.754SS**  trans-112.292.6160.2-58.10000108.6
81C48.6Very low53.7Low196 Ų196134.6 Ų134.6100%1.32477%0.767SS**  trans-75.50166.1-164.70000110.8

Retrieved 81 of 81 residues in 28.7 ms (Link to these results)