Statistics on the expected number of short-range NOESY contacts
The NCP provides probabilities of NOESY contacts. In ARECA these probabilities are used to calculate the probabilities of short-range NOESY contacts between every triplet amino acids (residue i-1, i, i+1) of a protein. We here used these probabilities to calculate the expected number of NOESY contacts for the 8000 (20x20x20) triplets of amino acides. In this analysis, every amino acid is considered 20 times and the following numbers show the average of the expected number of short-range contacts for every atom of the amino acids (amide proton [Avg:9.907, std: 0.1558], side chain protons [Avg: 14.801, Std:1.1262]). These statistics are provided as complementary to those generated in NOESY Distance Restraints (NRG).

Amino Acids

  1. ALA
  2. CYS
  3. ASP
  4. GLU
  5. PHE
  6. GLY
  7. HIS
  8. ILE
  9. LYS
  10. LEU
  11. MET
  12. ASN
  13. PRO
  14. GLN
  15. ARG
  16. SER
  17. THR
  18. VAL
  19. TRP
  20. TYR

ALA (Avg. 13.277)

  1. HB2: 14.723
  2. HB1: 14.723
  3. HA: 12.579
  4. HB3: 14.723
  5. H: 9.636
[TOP]

CYS (Avg. 13.492)

  1. HA: 12.526
  2. HB2: 14.721
  3. HG: 15.661
  4. HB3: 14.721
  5. H: 9.833
[TOP]

ASP (Avg. 13.522)

  1. HB2: 14.721
  2. HA: 12.576
  3. HD2: 15.611
  4. HB3: 14.721
  5. H: 9.983
[TOP]

GLU (Avg. 13.869)

  1. HE2: 15.711
  2. HA: 12.581
  3. HB2: 14.726
  4. HB3: 14.726
  5. HG3: 14.875
  6. HG2: 14.825
  7. H: 9.638
[TOP]

PHE (Avg. 14.506)

  1. HD2: 15.781
  2. HD1: 15.781
  3. HE2: 15.776
  4. HZ: 15.771
  5. HA: 12.481
  6. HB2: 14.728
  7. HE1: 15.771
  8. HB3: 14.728
  9. H: 9.738
[TOP]

GLY (Avg. 11.805)

  1. HA3: 12.571
  2. HA2: 12.571
  3. H: 10.274
[TOP]

HIS (Avg. 14.347)

  1. HD2: 15.771
  2. HE2: 15.661
  3. HB2: 14.726
  4. HD1: 15.761
  5. HB3: 14.726
  6. HA: 12.479
  7. HE1: 15.768
  8. H: 9.883
[TOP]

ILE (Avg. 14.460)

  1. HD13: 15.783
  2. HD12: 15.783
  3. HG23: 14.888
  4. HG21: 14.838
  5. HD11: 15.783
  6. HG22: 14.838
  7. HB: 14.738
  8. HA: 12.394
  9. HG12: 14.838
  10. HG13: 15.436
  11. H: 9.743
[TOP]

LYS (Avg. 14.702)

  1. HZ2: 15.778
  2. HE3: 15.783
  3. HG3: 15.040
  4. HZ3: 15.778
  5. HD3: 15.786
  6. HG2: 14.840
  7. HD2: 15.786
  8. HB2: 14.736
  9. HB3: 14.736
  10. HE2: 15.783
  11. HA: 12.586
  12. H: 9.788
[TOP]

LEU (Avg. 14.676)

  1. HD21: 15.783
  2. HD11: 15.783
  3. HA: 12.594
  4. HG: 14.838
  5. HD12: 15.783
  6. HD22: 15.783
  7. HB2: 14.738
  8. HD13: 15.783
  9. HB3: 14.738
  10. HD23: 15.783
  11. H: 9.835
[TOP]

MET (Avg. 14.304)

  1. HA: 12.529
  2. HE2: 15.773
  3. HB3: 14.731
  4. HG3: 14.980
  5. HE1: 15.773
  6. HB2: 14.723
  7. HE3: 15.773
  8. HG2: 14.830
  9. H: 9.626
[TOP]

ASN (Avg. 13.902)

  1. HA: 12.531
  2. HB2: 14.726
  3. HD21: 15.773
  4. HB3: 14.726
  5. HD22: 15.771
  6. H: 9.885
[TOP]

PRO (Avg. 13.745)

  1. HB2: 13.681
  2. HA: 12.534
  3. HG2: 15.377
  4. HB3: 14.728
  5. HG3: 15.726
  6. HD3: 12.085
  7. HD2: 12.085
[TOP]

GLN (Avg. 14.155)

  1. HE21: 15.773
  2. HG2: 14.880
  3. HE22: 15.773
  4. HG3: 15.030
  5. HA: 12.581
  6. HB3: 14.731
  7. HB2: 14.731
  8. H: 9.738
[TOP]

ARG (Avg. 14.783)

  1. HD2: 15.788
  2. HE: 15.786
  3. HH11: 15.781
  4. HG3: 14.985
  5. HH12: 15.776
  6. HD3: 15.788
  7. HH22: 15.776
  8. HB2: 14.733
  9. HB3: 14.733
  10. HG2: 14.835
  11. HH21: 15.776
  12. HA: 12.586
  13. H: 9.838
[TOP]

SER (Avg. 13.357)

  1. HB3: 14.723
  2. HG: 14.823
  3. HB2: 14.723
  4. HA: 12.579
  5. H: 9.935
[TOP]

THR (Avg. 13.902)

  1. HG23: 15.177
  2. HG21: 15.077
  3. HG1: 14.828
  4. HG22: 15.077
  5. HA: 12.534
  6. HB: 14.728
  7. H: 9.890
[TOP]

VAL (Avg. 14.268)

  1. HG22: 15.681
  2. HG23: 15.731
  3. HA: 12.589
  4. HB: 14.733
  5. HG21: 15.481
  6. HG12: 14.833
  7. HG13: 14.833
  8. HG11: 14.833
  9. H: 9.696
[TOP]

TRP (Avg. 14.642)

  1. HB3: 14.728
  2. HZ2: 15.773
  3. HD1: 15.778
  4. HA: 12.481
  5. HH2: 15.771
  6. HE1: 15.776
  7. HE3: 15.781
  8. HZ3: 15.768
  9. HB2: 14.828
  10. H: 9.736
[TOP]

TYR (Avg. 14.347)

  1. HD1: 15.778
  2. HA: 12.581
  3. HB2: 14.728
  4. HE2: 15.773
  5. HB3: 14.728
  6. HE1: 15.768
  7. HD2: 15.778
  8. H: 9.638
[TOP]

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