==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ANTIMICROBIAL PROTEIN 17-AUG-04 1X89 . COMPND 2 MOLECULE: NEUTROPHIL GELATINASE-ASSOCIATED LIPOCALIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.A.HOLMES,W.PAULSENE,X.JIDE,C.RATLEDGE,R.K.STRONG . 518 4 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27483.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 351 67.8 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 . 190 36.7 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 . 6 1.2 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 . 49 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 56 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 39 7.5 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 3 0 0 0 0 0 0 0 2 1 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 5 4 3 0 6 0 0 6 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 4 A T 0 0 194 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 104.3 26.2 96.6 71.0 2 5 A S - 0 0 60 2,-0.0 2,-0.4 0, 0.0 0, 0.0 -0.845 360.0-151.1-117.3 156.6 27.3 94.6 67.9 3 6 A D - 0 0 152 -2,-0.3 2,-0.4 2,-0.0 0, 0.0 -0.996 21.4-179.3-125.9 127.9 27.5 95.4 64.2 4 7 A L - 0 0 64 -2,-0.4 33,-0.1 33,-0.0 32,-0.1 -0.980 34.7-117.2-135.9 144.2 27.1 92.6 61.6 5 8 A I - 0 0 46 -2,-0.4 31,-0.1 31,-0.3 2,-0.1 -0.529 56.1-103.7 -66.2 134.9 27.1 92.3 57.8 6 9 A P - 0 0 106 0, 0.0 -1,-0.1 0, 0.0 123,-0.1 -0.387 29.6-102.9 -68.7 150.0 23.5 91.1 57.0 7 10 A A - 0 0 18 121,-0.1 3,-0.1 1,-0.1 114,-0.0 -0.392 44.0-114.8 -65.2 137.2 22.6 87.5 56.2 8 11 A P - 0 0 12 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.333 35.2 -92.5 -72.1 158.1 21.9 87.2 52.5 9 12 A P > - 0 0 72 0, 0.0 3,-2.5 0, 0.0 4,-0.1 -0.500 37.1-118.0 -69.0 144.0 18.5 86.4 51.3 10 13 A L G > S+ 0 0 67 1,-0.3 3,-1.5 2,-0.2 -3,-0.0 0.649 108.8 74.0 -54.8 -15.7 18.1 82.6 50.8 11 14 A S G 3 S+ 0 0 111 1,-0.3 -1,-0.3 3,-0.0 0, 0.0 0.684 91.1 56.9 -76.1 -17.6 17.5 83.1 47.1 12 15 A K G < S+ 0 0 123 -3,-2.5 -1,-0.3 1,-0.1 -2,-0.2 0.315 92.4 81.0 -92.9 8.5 21.2 83.8 46.7 13 16 A V S < S- 0 0 4 -3,-1.5 -1,-0.1 -4,-0.1 106,-0.0 -0.863 75.4-143.1-118.2 105.5 22.2 80.5 48.3 14 17 A P - 0 0 74 0, 0.0 2,-0.4 0, 0.0 -2,-0.1 -0.205 7.9-135.5 -63.7 160.0 22.1 77.6 45.9 15 18 A L - 0 0 29 73,-0.0 2,-0.3 4,-0.0 93,-0.3 -0.947 25.3-110.5-111.5 133.6 21.0 74.1 47.0 16 19 A Q > - 0 0 43 91,-3.1 3,-0.7 -2,-0.4 93,-0.1 -0.474 40.6-127.9 -64.4 119.2 22.9 71.0 45.9 17 20 A Q T 3 S+ 0 0 122 -2,-0.3 -1,-0.1 1,-0.2 70,-0.0 -0.286 84.8 12.6 -67.1 152.3 20.5 69.2 43.5 18 21 A N T 3 S- 0 0 142 1,-0.2 -1,-0.2 68,-0.0 69,-0.1 0.858 88.2-155.5 52.2 45.8 19.8 65.5 44.1 19 22 A F < - 0 0 17 -3,-0.7 2,-0.8 67,-0.3 -1,-0.2 -0.265 5.9-154.1 -59.3 131.8 21.4 65.6 47.6 20 23 A Q >> - 0 0 83 1,-0.2 4,-1.0 66,-0.1 3,-0.6 -0.802 8.5-171.0-109.2 99.7 22.5 62.1 48.7 21 24 A D H >> S+ 0 0 49 -2,-0.8 3,-0.7 1,-0.2 4,-0.6 0.861 84.4 54.7 -57.7 -37.9 22.6 61.9 52.5 22 25 A N H >4 S+ 0 0 80 1,-0.2 3,-0.6 2,-0.2 -1,-0.2 0.877 108.8 47.7 -63.9 -39.2 24.4 58.6 52.7 23 26 A Q H <4 S+ 0 0 58 -3,-0.6 -1,-0.2 1,-0.2 -2,-0.2 0.591 104.0 60.9 -77.1 -14.1 27.3 59.8 50.5 24 27 A F H << S+ 0 0 1 -4,-1.0 -1,-0.2 -3,-0.7 29,-0.2 0.602 84.6 105.0 -88.9 -11.1 27.8 63.1 52.5 25 28 A Q << + 0 0 70 -4,-0.6 29,-0.2 -3,-0.6 2,-0.2 -0.047 54.2 51.0 -60.8 172.3 28.5 61.1 55.7 26 29 A G E S-A 53 0A 26 27,-3.0 27,-2.6 2,-0.0 2,-0.3 -0.524 94.6 -24.4 98.1-166.5 32.0 60.8 57.2 27 30 A K E -A 52 0A 37 25,-0.2 2,-0.4 -2,-0.2 25,-0.2 -0.609 48.9-174.5 -94.0 136.3 34.7 63.2 58.0 28 31 A W E -A 51 0A 0 23,-2.1 23,-2.6 -2,-0.3 2,-0.4 -0.998 16.3-143.1-127.0 131.8 35.2 66.6 56.4 29 32 A Y E -AB 50 136A 2 107,-3.3 107,-2.7 -2,-0.4 2,-1.2 -0.759 20.8-125.3 -88.8 146.9 38.1 68.9 57.1 30 33 A V E + B 0 135A 0 19,-2.4 19,-0.4 -2,-0.4 105,-0.2 -0.724 40.2 163.6 -91.6 93.2 37.3 72.7 57.2 31 34 A V E + 0 0 7 103,-2.1 2,-0.3 -2,-1.2 -1,-0.2 0.729 67.2 26.1 -86.7 -18.6 39.7 74.1 54.6 32 35 A G E - B 0 134A 0 102,-1.8 102,-3.0 133,-0.2 2,-0.3 -0.995 63.2-175.0-142.9 146.6 37.9 77.4 54.3 33 36 A L E +CB 164 133A 7 131,-2.8 131,-3.9 -2,-0.3 2,-0.3 -0.990 9.3 165.4-143.3 129.5 35.7 79.4 56.7 34 37 A A E +CB 163 132A 0 98,-2.0 98,-2.8 -2,-0.3 2,-0.3 -0.991 13.7 124.0-143.9 148.1 33.7 82.7 56.0 35 38 A G E > - B 0 131A 0 127,-1.7 3,-1.4 -2,-0.3 96,-0.2 -0.953 66.8 -86.7 172.2 169.7 31.0 84.5 57.8 36 39 A N T 3 S+ 0 0 5 94,-1.6 -31,-0.3 -2,-0.3 95,-0.1 0.668 128.4 39.3 -74.0 -9.1 29.8 87.7 59.4 37 40 A A T 3 S+ 0 0 61 93,-0.6 2,-0.5 125,-0.1 -1,-0.3 0.081 94.0 98.6-120.5 18.4 31.4 86.7 62.7 38 41 A I < - 0 0 34 -3,-1.4 2,-0.4 124,-0.2 -3,-0.3 -0.934 51.6-178.3-103.2 129.1 34.5 85.2 61.2 39 42 A L - 0 0 98 -2,-0.5 123,-0.2 123,-0.1 122,-0.1 -0.991 27.0-122.1-133.4 127.1 37.6 87.6 61.3 40 43 A R - 0 0 129 121,-2.4 2,-0.2 -2,-0.4 124,-0.1 -0.237 27.6-173.6 -61.3 147.9 41.1 87.0 59.9 41 44 A E - 0 0 118 1,-0.1 -1,-0.1 2,-0.1 -2,-0.0 -0.672 11.6-172.7-152.6 93.5 43.7 87.3 62.6 42 45 A D S S+ 0 0 93 -2,-0.2 -1,-0.1 1,-0.2 -2,-0.0 0.678 83.3 57.1 -60.5 -23.6 47.3 87.0 61.4 43 46 A K S S+ 0 0 200 1,-0.2 -1,-0.2 0, 0.0 -2,-0.1 0.983 125.8 16.5 -74.3 -61.8 48.8 87.0 64.8 44 47 A D S S- 0 0 109 -4,-0.0 -1,-0.2 3,-0.0 -2,-0.1 -0.624 90.4-162.1-110.2 77.1 46.9 83.9 66.1 45 48 A P - 0 0 62 0, 0.0 2,-0.2 0, 0.0 -3,-0.1 -0.160 27.6 -94.9 -62.3 147.1 45.6 82.3 62.8 46 49 A Q - 0 0 76 1,-0.1 121,-2.4 120,-0.0 2,-0.3 -0.380 36.4-136.1 -61.5 129.5 42.8 79.8 63.0 47 50 A K B -j 167 0B 94 119,-0.3 -1,-0.1 -2,-0.2 122,-0.0 -0.639 28.1-100.6 -88.5 148.0 43.8 76.1 63.0 48 51 A M - 0 0 3 119,-2.4 20,-0.4 -2,-0.3 2,-0.3 -0.271 42.9-177.8 -61.9 144.3 42.0 73.6 60.9 49 52 A Y - 0 0 23 -19,-0.4 -19,-2.4 18,-0.1 2,-0.3 -0.868 15.7-128.1-133.2 179.6 39.3 71.5 62.6 50 53 A A E -AD 29 66A 0 16,-1.9 16,-2.4 -2,-0.3 2,-0.4 -0.958 6.8-153.2-133.4 156.3 37.1 68.7 61.3 51 54 A T E -AD 28 65A 5 -23,-2.6 -23,-2.1 -2,-0.3 2,-0.4 -0.986 9.5-156.5-131.3 128.7 33.4 67.8 61.3 52 55 A I E -AD 27 64A 41 12,-3.8 12,-2.2 -2,-0.4 2,-0.5 -0.891 3.0-160.7-109.9 128.6 32.1 64.3 61.2 53 56 A Y E -AD 26 63A 4 -27,-2.6 -27,-3.0 -2,-0.4 2,-0.5 -0.941 9.4-178.2-109.2 117.6 28.5 63.5 59.9 54 57 A E E - D 0 62A 118 8,-2.2 8,-3.5 -2,-0.5 2,-0.4 -0.989 25.3-131.7-118.6 127.1 26.9 60.2 60.8 55 58 A L E - D 0 61A 30 -2,-0.5 6,-0.2 6,-0.2 2,-0.1 -0.579 23.3-148.8 -71.5 119.7 23.4 59.2 59.5 56 59 A K > - 0 0 80 4,-3.8 3,-1.7 -2,-0.4 -1,-0.0 -0.354 33.0 -98.1 -80.9 174.6 21.4 58.0 62.4 57 60 A E T 3 S+ 0 0 183 1,-0.3 -1,-0.1 2,-0.1 -2,-0.1 0.859 125.1 56.6 -66.7 -30.6 18.8 55.3 61.7 58 61 A D T 3 S- 0 0 106 1,-0.1 -1,-0.3 2,-0.0 3,-0.1 0.211 121.7-106.9 -80.8 10.4 16.0 58.0 61.5 59 62 A K S < S+ 0 0 105 -3,-1.7 2,-0.2 1,-0.3 -2,-0.1 0.539 81.6 125.9 76.3 6.9 18.0 59.8 58.8 60 63 A S - 0 0 10 21,-0.1 -4,-3.8 22,-0.0 2,-0.5 -0.519 60.1-117.6 -84.7 163.9 19.1 62.6 61.1 61 64 A Y E -DE 55 80A 0 19,-2.5 19,-2.2 -6,-0.2 2,-0.7 -0.878 8.2-147.6-107.4 139.7 22.8 63.4 61.3 62 65 A N E -DE 54 79A 47 -8,-3.5 -8,-2.2 -2,-0.5 2,-0.5 -0.913 27.0-159.7 -96.2 125.0 24.8 63.1 64.4 63 66 A V E +DE 53 78A 7 15,-3.3 15,-2.8 -2,-0.7 2,-0.4 -0.926 14.5 179.7-119.6 123.1 27.4 65.9 63.9 64 67 A T E -DE 52 77A 34 -12,-2.2 -12,-3.8 -2,-0.5 2,-0.4 -0.979 6.2-169.4-125.4 124.3 30.7 66.1 65.7 65 68 A S E -DE 51 76A 26 11,-2.6 11,-2.0 -2,-0.4 2,-0.4 -0.837 6.9-164.3-108.8 145.3 33.3 68.8 65.3 66 69 A V E +DE 50 75A 5 -16,-2.4 -16,-1.9 -2,-0.4 2,-0.3 -0.996 9.8 175.6-135.0 129.1 36.7 68.4 66.8 67 70 A L E - E 0 74A 23 7,-1.8 7,-2.6 -2,-0.4 2,-0.7 -0.945 31.5-123.2-130.7 156.9 39.3 71.2 67.3 68 71 A F E + E 0 73A 46 -20,-0.4 2,-0.3 -2,-0.3 5,-0.2 -0.891 46.0 155.6-104.8 115.6 42.7 71.3 69.0 69 72 A R E > - E 0 72A 117 3,-2.6 3,-1.8 -2,-0.7 -2,-0.1 -0.998 60.2 -0.1-143.6 133.8 42.6 74.0 71.7 70 73 A K T 3 S- 0 0 176 -2,-0.3 -1,-0.1 1,-0.3 3,-0.1 0.937 128.0 -58.2 55.9 44.3 44.7 74.6 74.9 71 74 A K T 3 S+ 0 0 87 1,-0.2 2,-0.3 -3,-0.1 -1,-0.3 0.560 121.8 93.5 61.3 9.8 46.7 71.4 74.2 72 75 A K E < S-E 69 0A 149 -3,-1.8 -3,-2.6 99,-0.1 2,-0.6 -0.857 78.0-112.1-127.6 165.0 43.5 69.3 74.2 73 76 A a E -E 68 0A 52 -2,-0.3 2,-0.5 -5,-0.2 -5,-0.2 -0.858 31.3-162.0 -96.9 123.7 40.8 67.9 71.7 74 77 A D E -E 67 0A 47 -7,-2.6 -7,-1.8 -2,-0.6 2,-0.4 -0.932 2.5-156.5-110.3 130.1 37.5 69.5 72.3 75 78 A Y E -E 66 0A 149 -2,-0.5 2,-0.4 -9,-0.2 -9,-0.2 -0.847 7.8-170.5-109.4 136.2 34.4 67.8 70.9 76 79 A W E -E 65 0A 128 -11,-2.0 -11,-2.6 -2,-0.4 2,-0.4 -0.999 10.6-164.7-125.7 126.0 31.1 69.6 70.0 77 80 A I E +E 64 0A 92 -2,-0.4 2,-0.3 -13,-0.2 -13,-0.2 -0.942 15.2 158.7-118.8 134.7 28.1 67.5 69.2 78 81 A R E -E 63 0A 82 -15,-2.8 -15,-3.3 -2,-0.4 2,-0.4 -0.891 32.4-123.6-143.2 171.1 24.8 68.5 67.5 79 82 A T E -E 62 0A 33 13,-0.4 13,-2.8 -2,-0.3 2,-0.6 -0.988 15.3-158.2-120.3 131.1 21.9 66.9 65.6 80 83 A F E -EF 61 91A 5 -19,-2.2 -19,-2.5 -2,-0.4 11,-0.2 -0.942 11.0-158.6-107.2 125.0 20.9 68.0 62.2 81 84 A V E - F 0 90A 39 9,-3.9 9,-2.7 -2,-0.6 -21,-0.1 -0.874 30.5 -97.7-109.9 133.3 17.4 67.1 61.2 82 85 A P E - F 0 89A 71 0, 0.0 7,-0.3 0, 0.0 -1,-0.1 -0.110 47.9-161.0 -45.0 132.1 16.2 67.0 57.6 83 86 A G - 0 0 38 5,-2.8 6,-0.1 2,-0.4 7,-0.0 0.183 41.8 -49.8 -99.3-140.0 14.5 70.2 56.7 84 87 A S S S+ 0 0 103 1,-0.1 5,-0.1 5,-0.1 6,-0.0 0.777 119.9 17.6 -76.4 -27.3 12.1 71.3 54.0 85 88 A Q S > S- 0 0 83 0, 0.0 3,-2.2 0, 0.0 -2,-0.4 -0.987 98.1 -79.3-142.7 153.5 14.1 69.9 51.0 86 89 A P T 3 S+ 0 0 93 0, 0.0 -67,-0.3 0, 0.0 3,-0.1 -0.240 120.4 30.0 -50.1 122.6 17.0 67.3 50.5 87 90 A G T 3 S+ 0 0 3 1,-0.4 20,-3.2 -68,-0.1 2,-0.3 0.354 102.3 96.8 106.0 -3.2 20.2 69.0 51.5 88 91 A E E < + G 0 106A 14 -3,-2.2 -5,-2.8 18,-0.2 -1,-0.4 -0.880 48.3 175.5-117.7 147.8 18.6 71.4 54.1 89 92 A F E -FG 82 105A 10 16,-2.2 16,-2.8 -2,-0.3 2,-0.3 -0.976 20.2-151.1-148.9 160.7 18.5 70.9 57.8 90 93 A T E -F 81 0A 59 -9,-2.7 -9,-3.9 -2,-0.3 2,-0.5 -0.803 38.5 -91.3-125.1 168.9 17.5 72.4 61.1 91 94 A L E > -F 80 0A 10 12,-0.5 3,-0.6 -2,-0.3 -11,-0.2 -0.731 32.8-132.7 -89.0 126.6 19.0 71.8 64.5 92 95 A G T 3 S+ 0 0 15 -13,-2.8 -13,-0.4 -2,-0.5 -1,-0.0 -0.475 85.1 14.3 -77.4 143.2 17.6 69.2 66.9 93 96 A N T > + 0 0 72 -2,-0.2 3,-1.3 1,-0.1 -1,-0.2 0.889 67.7 166.7 61.5 46.1 16.9 70.1 70.5 94 97 A I G X + 0 0 55 -3,-0.6 3,-2.6 1,-0.3 6,-0.3 0.885 67.0 70.6 -57.5 -37.6 17.1 73.8 70.0 95 98 A K G 3 S+ 0 0 74 1,-0.3 -1,-0.3 4,-0.1 4,-0.1 0.802 87.4 63.9 -48.5 -37.5 15.5 74.2 73.4 96 99 A S G < S+ 0 0 92 -3,-1.3 -1,-0.3 1,-0.1 -2,-0.2 0.391 89.0 78.2 -73.0 3.4 18.7 73.1 75.1 97 100 A Y S X S- 0 0 44 -3,-2.6 3,-1.5 3,-0.2 2,-0.1 -0.945 85.5-127.4-118.7 113.4 20.7 76.0 73.8 98 101 A P T 3 S+ 0 0 118 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 -0.306 87.6 2.2 -54.9 117.4 20.1 79.3 75.7 99 102 A G T 3 S+ 0 0 36 1,-0.2 26,-3.2 -2,-0.1 2,-0.6 0.484 91.8 127.9 86.3 0.4 19.1 82.2 73.4 100 103 A L E < + H 0 124A 28 -3,-1.5 24,-0.2 -6,-0.3 -1,-0.2 -0.816 22.2 165.8 -97.8 117.1 19.0 80.3 70.1 101 104 A T E + 0 0 98 22,-2.7 2,-0.3 -2,-0.6 23,-0.2 0.607 62.4 13.2-109.4 -15.2 15.8 80.8 68.1 102 105 A S E + H 0 123A 39 21,-1.1 21,-2.1 -8,-0.1 2,-0.3 -0.969 52.8 178.6-156.1 152.5 16.5 79.5 64.6 103 106 A Y E - 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