==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGAND BINDING PROTEIN 15-JAN-08 3BY0 . COMPND 2 MOLECULE: NEUTROPHIL GELATINASE-ASSOCIATED LIPOCALIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.C.CLIFTON,J.C.PIZZARO,R.K.STRONG . 519 5 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27895.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 349 67.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 1.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 189 36.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 5 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 9 1.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 60 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 45 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 40 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 2 0 0 0 0 0 0 0 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 4 5 3 0 6 1 0 5 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 5 A S 0 0 104 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 119.9 27.7 95.0 67.5 2 6 A D + 0 0 157 2,-0.0 2,-0.4 0, 0.0 0, 0.0 -0.969 360.0 178.3-123.8 133.9 27.8 95.2 63.7 3 7 A L - 0 0 60 -2,-0.4 33,-0.1 125,-0.0 3,-0.1 -0.992 34.4-115.5-137.4 140.7 27.2 92.5 61.1 4 8 A I - 0 0 43 -2,-0.4 31,-0.1 31,-0.3 153,-0.1 -0.580 54.4-101.5 -66.8 130.4 27.1 92.1 57.4 5 9 A P - 0 0 108 0, 0.0 -1,-0.1 0, 0.0 123,-0.1 -0.243 33.5-105.3 -63.3 143.0 23.5 91.2 56.6 6 10 A A - 0 0 20 1,-0.1 3,-0.1 121,-0.1 150,-0.1 -0.434 42.3-114.0 -60.7 135.9 22.6 87.5 55.8 7 11 A P - 0 0 11 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.332 35.2 -92.3 -68.1 155.0 22.0 87.1 52.1 8 12 A P > - 0 0 72 0, 0.0 3,-2.3 0, 0.0 4,-0.3 -0.484 34.2-118.7 -64.5 141.4 18.6 86.2 50.8 9 13 A L G > S+ 0 0 69 1,-0.3 3,-1.2 2,-0.2 -3,-0.0 0.693 111.0 71.5 -55.3 -21.3 18.1 82.4 50.4 10 14 A S G 3 S+ 0 0 114 1,-0.2 -1,-0.3 3,-0.0 0, 0.0 0.806 94.4 53.7 -63.9 -30.5 17.5 83.0 46.7 11 15 A K G < S+ 0 0 125 -3,-2.3 -1,-0.2 1,-0.1 -2,-0.2 0.450 94.7 80.8 -82.9 -2.8 21.3 83.8 46.4 12 16 A V S < S- 0 0 3 -3,-1.2 -1,-0.1 -4,-0.3 106,-0.0 -0.890 76.1-147.4-108.5 102.8 22.2 80.5 48.1 13 17 A P - 0 0 68 0, 0.0 2,-0.4 0, 0.0 -2,-0.1 -0.212 6.5-134.3 -65.1 157.5 22.0 77.5 45.6 14 18 A L - 0 0 29 73,-0.0 2,-0.3 4,-0.0 93,-0.2 -0.960 22.7-112.5-113.7 132.7 21.0 74.0 46.6 15 19 A Q - 0 0 42 91,-2.8 3,-0.5 -2,-0.4 93,-0.1 -0.485 41.0-125.5 -59.4 121.5 23.0 70.9 45.5 16 20 A Q S S+ 0 0 126 -2,-0.3 -1,-0.1 1,-0.2 70,-0.0 -0.426 82.6 10.8 -75.2 146.7 20.6 69.1 43.2 17 21 A N S S- 0 0 140 1,-0.2 -1,-0.2 -2,-0.1 2,-0.2 0.927 86.9-152.5 53.6 54.6 19.7 65.4 43.8 18 22 A F - 0 0 17 -3,-0.5 2,-0.8 67,-0.2 -1,-0.2 -0.391 8.4-154.3 -66.8 123.8 21.2 65.3 47.2 19 23 A Q > - 0 0 81 -2,-0.2 4,-0.9 1,-0.2 3,-0.2 -0.859 8.0-171.6-100.9 102.7 22.5 61.9 48.3 20 24 A D T 4 S+ 0 0 45 -2,-0.8 4,-0.4 1,-0.2 3,-0.2 0.823 83.3 54.3 -66.2 -34.2 22.4 61.9 52.1 21 25 A N T >4 S+ 0 0 76 1,-0.2 3,-0.7 2,-0.2 -1,-0.2 0.861 107.8 50.1 -67.5 -35.6 24.2 58.5 52.4 22 26 A Q T 34 S+ 0 0 61 -3,-0.2 -1,-0.2 1,-0.2 -2,-0.2 0.652 102.1 61.8 -78.1 -17.4 27.1 59.7 50.2 23 27 A F T 3< S+ 0 0 1 -4,-0.9 -1,-0.2 -3,-0.2 29,-0.2 0.567 83.9 110.1 -83.5 -10.3 27.6 62.9 52.3 24 28 A Q < + 0 0 70 -3,-0.7 29,-0.2 -4,-0.4 2,-0.1 -0.151 53.8 42.6 -61.1 159.1 28.3 60.8 55.4 25 29 A G E S-A 52 0A 26 27,-3.6 27,-2.2 2,-0.0 2,-0.2 -0.436 93.8 -22.1 101.8-172.5 31.8 60.7 57.0 26 30 A K E -A 51 0A 26 25,-0.2 2,-0.4 -2,-0.1 25,-0.2 -0.511 49.3-174.9 -80.0 136.0 34.6 63.1 57.9 27 31 A W E -A 50 0A 0 23,-2.1 23,-2.6 -2,-0.2 2,-0.4 -0.995 17.7-138.3-125.9 136.4 35.1 66.4 56.2 28 32 A Y E -AB 49 135A 3 107,-3.5 107,-2.8 -2,-0.4 2,-1.2 -0.758 18.0-126.9 -89.7 140.0 38.0 68.8 56.8 29 33 A V E + B 0 134A 0 19,-2.6 19,-0.3 -2,-0.4 105,-0.2 -0.727 43.0 158.3 -86.9 93.7 37.3 72.5 57.0 30 34 A V E + 0 0 7 103,-1.7 2,-0.3 -2,-1.2 -1,-0.2 0.715 67.1 29.5 -90.7 -23.5 39.7 73.9 54.4 31 35 A G E - B 0 133A 0 102,-1.8 102,-3.3 133,-0.2 2,-0.4 -1.000 63.2-178.1-139.7 139.8 37.8 77.2 54.0 32 36 A L E +CB 163 132A 5 131,-3.1 131,-3.4 -2,-0.3 2,-0.3 -0.988 7.6 167.2-140.5 125.9 35.6 79.2 56.3 33 37 A A E +CB 162 131A 0 98,-2.3 98,-2.5 -2,-0.4 2,-0.3 -0.976 12.8 124.7-137.5 150.5 33.7 82.5 55.6 34 38 A G E > - B 0 130A 0 127,-1.5 3,-0.8 -2,-0.3 96,-0.2 -0.918 65.1 -91.7 170.3 166.3 31.0 84.5 57.4 35 39 A N T 3 S+ 0 0 7 94,-1.3 -31,-0.3 -2,-0.3 95,-0.1 0.589 127.2 41.3 -73.8 -10.4 29.9 87.8 58.9 36 40 A A T 3 S+ 0 0 60 93,-0.5 2,-0.5 125,-0.1 -1,-0.3 0.383 95.4 97.3-110.8 -4.0 31.3 86.8 62.3 37 41 A I < - 0 0 34 -3,-0.8 2,-0.4 124,-0.2 -3,-0.3 -0.784 52.6-177.3 -91.3 126.2 34.5 85.2 60.9 38 42 A L - 0 0 112 -2,-0.5 2,-0.3 -5,-0.1 123,-0.2 -0.987 31.1-114.7-128.8 133.5 37.6 87.5 60.9 39 43 A R - 0 0 97 121,-2.6 2,-0.5 -2,-0.4 124,-0.0 -0.474 32.3-171.1 -62.4 122.7 41.2 86.9 59.6 40 44 A E + 0 0 121 -2,-0.3 5,-0.1 1,-0.1 -1,-0.1 -0.866 11.9 179.7-125.5 96.8 43.5 86.9 62.6 41 45 A D S S+ 0 0 132 -2,-0.5 -1,-0.1 1,-0.2 -2,-0.0 0.723 79.4 57.0 -72.5 -24.3 47.2 86.8 61.6 42 46 A K S S+ 0 0 206 1,-0.3 -1,-0.2 0, 0.0 -2,-0.0 0.959 125.3 18.0 -71.6 -52.9 48.6 86.8 65.1 43 47 A D S S- 0 0 107 3,-0.0 -1,-0.3 0, 0.0 -2,-0.1 -0.765 92.8-153.2-118.9 83.6 46.7 83.6 66.2 44 48 A P - 0 0 64 0, 0.0 2,-0.1 0, 0.0 -3,-0.1 -0.226 25.7 -94.3 -65.4 144.2 45.7 82.0 62.9 45 49 A Q - 0 0 81 -5,-0.1 121,-2.5 1,-0.1 2,-0.3 -0.335 37.6-138.4 -60.1 124.1 42.7 79.6 62.6 46 50 A K B -j 166 0B 93 119,-0.2 2,-0.1 -2,-0.1 -1,-0.1 -0.642 25.0-104.7 -84.0 141.9 43.6 75.9 63.1 47 51 A M - 0 0 2 119,-2.5 20,-0.3 -2,-0.3 2,-0.3 -0.385 41.5-176.8 -65.2 138.3 41.9 73.4 60.8 48 52 A Y - 0 0 23 -19,-0.3 -19,-2.6 18,-0.1 2,-0.3 -0.831 15.4-128.6-129.3 172.1 39.1 71.3 62.4 49 53 A A E -AD 28 65A 0 16,-2.0 16,-2.7 -2,-0.3 2,-0.4 -0.913 7.0-156.3-126.6 149.8 36.9 68.4 61.1 50 54 A T E -AD 27 64A 5 -23,-2.6 -23,-2.1 -2,-0.3 2,-0.5 -0.996 10.6-156.1-128.2 128.8 33.2 67.7 61.0 51 55 A I E -AD 26 63A 46 12,-3.1 12,-2.0 -2,-0.4 2,-0.5 -0.905 3.7-158.0-110.7 126.8 31.8 64.1 60.8 52 56 A Y E +AD 25 62A 2 -27,-2.2 -27,-3.6 -2,-0.5 2,-0.4 -0.903 11.7 179.0-107.8 127.8 28.4 63.4 59.4 53 57 A E E - D 0 61A 102 8,-1.7 8,-3.3 -2,-0.5 2,-0.4 -0.969 24.3-132.6-133.4 118.6 26.5 60.1 60.3 54 58 A L E - D 0 60A 33 -2,-0.4 6,-0.2 6,-0.2 2,-0.1 -0.537 18.0-148.9 -68.9 120.0 23.1 59.2 59.1 55 59 A K > - 0 0 75 4,-3.3 3,-1.9 -2,-0.4 -1,-0.0 -0.430 33.2-103.4 -73.3 164.3 20.8 57.9 61.9 56 60 A E T 3 S+ 0 0 196 1,-0.3 -1,-0.1 2,-0.1 -2,-0.1 0.767 125.0 59.9 -67.6 -24.0 18.2 55.3 60.8 57 61 A D T 3 S- 0 0 104 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.281 121.0-113.7 -81.0 9.4 15.5 58.1 60.9 58 62 A K S < S+ 0 0 113 -3,-1.9 2,-0.2 1,-0.3 -2,-0.1 0.572 78.0 124.2 67.1 16.1 17.7 59.8 58.2 59 63 A S - 0 0 5 21,-0.1 -4,-3.3 22,-0.0 2,-0.4 -0.666 63.0-107.0 -92.5 160.9 18.7 62.8 60.4 60 64 A Y E -DE 54 79A 1 19,-2.9 19,-1.7 -2,-0.2 2,-0.7 -0.718 10.7-147.5 -96.6 136.9 22.4 63.4 60.9 61 65 A N E -DE 53 78A 62 -8,-3.3 -8,-1.7 -2,-0.4 2,-0.5 -0.918 28.9-164.0 -89.9 117.1 24.6 62.9 63.9 62 66 A V E +DE 52 77A 8 15,-3.1 15,-2.5 -2,-0.7 2,-0.4 -0.926 13.3 178.5-114.6 122.0 27.1 65.8 63.6 63 67 A T E -DE 51 76A 36 -12,-2.0 -12,-3.1 -2,-0.5 2,-0.5 -0.986 10.0-162.5-122.5 125.3 30.3 65.8 65.5 64 68 A S E -DE 50 75A 22 11,-2.7 11,-2.3 -2,-0.4 2,-0.5 -0.926 5.9-160.3-105.6 131.8 33.0 68.6 65.2 65 69 A V E +DE 49 74A 6 -16,-2.7 -16,-2.0 -2,-0.5 2,-0.3 -0.958 14.4 178.3-115.7 121.3 36.5 67.9 66.5 66 70 A L E - 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0 0 58 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.266 42.1-178.7 -56.3 137.9 43.2 47.3 26.2 518 172 C I - 0 0 26 2,-0.1 -30,-0.0 1,-0.1 -122,-0.0 -0.870 30.1-145.1-133.6 166.9 41.0 44.4 25.2 519 173 C D > + 0 0 128 -2,-0.3 4,-0.6 3,-0.1 2,-0.2 0.695 69.6 95.6-103.0 -27.9 37.3 43.8 24.8 520 174 C Q T 4 S- 0 0 120 1,-0.2 2,-1.5 2,-0.1 -2,-0.1 -0.452 98.6 -14.8 -76.4 136.7 37.1 40.1 25.9 521 175 C c T 4 S+ 0 0 28 -2,-0.2 -1,-0.2 1,-0.2 -105,-0.1 -0.178 119.2 75.5 76.0 -40.8 36.2 39.1 29.5 522 176 C I T 4 0 0 0 -2,-1.5 -1,-0.2 -125,-0.1 -2,-0.1 0.469 360.0 360.0 -90.5 -2.6 36.7 42.5 31.1 523 177 C D < 0 0 105 -4,-0.6 -3,-0.1 -124,-0.0 -4,-0.0 0.122 360.0 360.0-109.1 360.0 33.5 44.3 30.0