==== 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 ANTIMICROBIAL PROTEIN 24-MAR-08 3CMP . COMPND 2 MOLECULE: NEUTROPHIL GELATINASE-ASSOCIATED LIPOCALIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.C.CLIFTON,R.K.STRONG . 516 5 3 2 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26632.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 350 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 . 187 36.2 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 . 10 1.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 66 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 47 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 33 6.4 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 1 0 0 0 0 0 0 0 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 . 2 5 7 3 0 5 0 0 6 2 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 1 1 1 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 0 127 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 115.4 27.9 94.9 67.4 2 6 A D - 0 0 161 0, 0.0 2,-0.4 0, 0.0 0, 0.0 -0.922 360.0-175.6-107.2 127.5 27.7 95.5 63.6 3 7 A L - 0 0 58 -2,-0.5 33,-0.1 33,-0.0 3,-0.1 -0.934 31.6-112.1-122.2 144.2 27.2 92.6 61.2 4 8 A I - 0 0 47 -2,-0.4 31,-0.1 31,-0.3 153,-0.1 -0.524 53.8 -97.2 -65.4 137.6 27.1 92.3 57.5 5 9 A P - 0 0 104 0, 0.0 -1,-0.1 0, 0.0 123,-0.1 -0.281 35.0-106.9 -65.6 144.6 23.6 91.4 56.5 6 10 A A - 0 0 17 121,-0.1 3,-0.1 1,-0.1 114,-0.1 -0.444 43.1-113.4 -61.8 138.8 22.6 87.8 55.8 7 11 A P - 0 0 11 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.366 33.6 -93.2 -74.2 156.9 22.1 87.3 52.1 8 12 A P > - 0 0 71 0, 0.0 3,-2.1 0, 0.0 4,-0.2 -0.487 34.6-119.6 -64.9 141.2 18.7 86.5 50.6 9 13 A L G > S+ 0 0 70 1,-0.3 3,-1.8 2,-0.2 -3,-0.0 0.760 109.9 72.4 -54.2 -27.4 18.3 82.8 50.3 10 14 A S G 3 S+ 0 0 108 1,-0.3 -1,-0.3 3,-0.0 0, 0.0 0.807 92.2 56.2 -56.4 -32.4 17.8 83.3 46.5 11 15 A K G < S+ 0 0 118 -3,-2.1 -1,-0.3 1,-0.1 -2,-0.2 0.440 94.8 77.9 -81.3 -1.6 21.6 84.1 46.3 12 16 A V S < S- 0 0 4 -3,-1.8 -1,-0.1 -4,-0.2 106,-0.0 -0.920 75.6-149.5-111.4 105.8 22.5 80.7 47.8 13 17 A P - 0 0 71 0, 0.0 2,-0.4 0, 0.0 95,-0.1 -0.088 7.8-129.8 -65.9 172.1 22.2 77.8 45.4 14 18 A L - 0 0 31 73,-0.0 2,-0.3 91,-0.0 93,-0.2 -0.994 21.6-111.6-128.4 131.9 21.2 74.2 46.3 15 19 A Q - 0 0 43 91,-2.8 3,-0.5 -2,-0.4 93,-0.1 -0.449 41.0-122.7 -61.9 121.4 23.1 71.0 45.3 16 20 A Q S S+ 0 0 150 -2,-0.3 3,-0.2 1,-0.2 -1,-0.1 -0.362 84.1 4.3 -70.5 144.8 20.8 69.1 42.9 17 21 A N S S- 0 0 79 1,-0.2 2,-0.3 68,-0.1 -1,-0.2 0.932 87.1-149.6 47.5 60.3 19.7 65.6 43.7 18 22 A F - 0 0 18 -3,-0.5 2,-1.0 67,-0.2 -1,-0.2 -0.455 6.5-151.8 -67.9 122.8 21.4 65.6 47.1 19 23 A Q >> - 0 0 82 -2,-0.3 4,-1.1 -3,-0.2 3,-0.6 -0.803 10.0-172.2 -96.8 94.3 22.7 62.1 48.1 20 24 A D T 34 S+ 0 0 46 -2,-1.0 3,-0.4 1,-0.2 4,-0.3 0.852 83.8 54.4 -57.0 -38.2 22.5 62.2 51.9 21 25 A N T >4 S+ 0 0 81 1,-0.2 3,-0.9 2,-0.2 -1,-0.2 0.864 107.2 50.4 -63.8 -36.7 24.3 58.8 52.2 22 26 A Q T <4 S+ 0 0 63 -3,-0.6 -1,-0.2 1,-0.2 -2,-0.2 0.682 102.0 61.5 -76.4 -19.4 27.2 59.9 50.0 23 27 A F T 3< S+ 0 0 1 -4,-1.1 -1,-0.2 -3,-0.4 29,-0.2 0.484 83.1 111.9 -84.9 -4.8 27.7 63.1 52.1 24 28 A Q < + 0 0 75 -3,-0.9 29,-0.2 -4,-0.3 2,-0.2 -0.278 52.4 46.9 -62.8 154.3 28.5 60.9 55.2 25 29 A G E S-A 52 0A 26 27,-3.8 27,-2.3 2,-0.0 2,-0.3 -0.511 92.2 -28.0 112.7-174.4 32.0 60.9 56.7 26 30 A K E -A 51 0A 24 25,-0.2 2,-0.4 -2,-0.2 25,-0.2 -0.604 50.9-174.3 -81.6 132.8 34.8 63.2 57.8 27 31 A W E -A 50 0A 0 23,-1.6 23,-2.6 -2,-0.3 2,-0.4 -0.972 17.7-135.9-122.7 142.8 35.2 66.5 56.1 28 32 A Y E -AB 49 135A 3 107,-3.8 107,-2.8 -2,-0.4 2,-1.4 -0.817 16.6-128.7 -96.2 135.6 38.1 69.0 56.7 29 33 A V E + B 0 134A 0 19,-2.6 19,-0.4 -2,-0.4 105,-0.2 -0.691 41.8 159.6 -82.2 91.3 37.3 72.7 57.1 30 34 A V E + 0 0 7 103,-1.7 2,-0.3 -2,-1.4 -1,-0.2 0.711 65.8 29.7 -85.8 -23.2 39.8 74.1 54.5 31 35 A G E - B 0 133A 0 102,-1.3 102,-3.0 133,-0.2 2,-0.4 -1.000 61.0-173.3-141.5 141.9 37.9 77.4 54.2 32 36 A L E +CB 163 132A 6 131,-3.3 131,-3.2 -2,-0.3 2,-0.4 -0.991 9.5 168.0-136.6 127.4 35.7 79.6 56.4 33 37 A A E +CB 162 131A 0 98,-2.1 98,-3.6 -2,-0.4 2,-0.3 -0.998 17.7 120.3-141.2 133.8 33.8 82.7 55.5 34 38 A G E > - B 0 130A 0 127,-1.7 3,-0.9 -2,-0.4 96,-0.2 -0.980 66.3 -96.1-178.6 169.5 31.1 84.6 57.4 35 39 A N T 3 S+ 0 0 6 94,-1.6 -31,-0.3 -2,-0.3 95,-0.1 0.624 125.1 42.6 -76.9 -15.1 29.9 87.8 59.0 36 40 A A T 3 S+ 0 0 58 93,-0.5 2,-0.5 125,-0.1 -1,-0.2 0.194 97.1 97.0-109.3 11.5 31.2 86.7 62.4 37 41 A I < - 0 0 32 -3,-0.9 2,-0.4 124,-0.2 -3,-0.3 -0.900 52.5-176.2-106.6 129.2 34.4 85.3 61.0 38 42 A L - 0 0 100 -2,-0.5 2,-0.4 -5,-0.1 123,-0.2 -0.955 28.6-117.6-128.2 142.6 37.6 87.5 61.1 39 43 A R - 0 0 98 121,-1.9 2,-0.5 -2,-0.4 121,-0.1 -0.649 29.3-169.1 -77.0 128.0 41.2 87.0 59.9 40 44 A E - 0 0 52 -2,-0.4 3,-0.1 1,-0.1 5,-0.0 -0.869 14.1-179.2-126.8 96.9 43.6 87.0 62.8 41 45 A D S S+ 0 0 102 -2,-0.5 -1,-0.1 1,-0.2 -2,-0.0 0.745 83.9 56.5 -67.5 -25.9 47.3 87.2 61.7 42 46 A K S S+ 0 0 108 1,-0.3 -1,-0.2 0, 0.0 -2,-0.0 0.920 127.4 13.7 -70.6 -46.9 48.5 87.0 65.4 43 47 A D S S- 0 0 122 -3,-0.1 -1,-0.3 3,-0.0 -2,-0.1 -0.714 86.9-155.3-132.1 79.9 46.7 83.7 66.1 44 48 A P - 0 0 76 0, 0.0 -3,-0.1 0, 0.0 -5,-0.1 -0.255 30.5 -93.3 -61.5 142.3 45.6 82.1 62.7 45 49 A Q - 0 0 91 1,-0.1 121,-2.3 120,-0.0 2,-0.3 -0.267 37.9-135.9 -56.1 130.9 42.7 79.7 62.8 46 50 A K B -k 166 0B 94 119,-0.2 -1,-0.1 21,-0.1 21,-0.1 -0.717 28.0-100.8 -89.3 142.9 43.7 76.0 63.1 47 51 A M - 0 0 2 119,-2.6 20,-0.4 -2,-0.3 2,-0.3 -0.288 41.8-172.5 -62.9 143.5 42.0 73.5 60.8 48 52 A Y - 0 0 27 -19,-0.4 -19,-2.6 18,-0.1 2,-0.3 -0.936 14.7-128.1-136.4 161.4 39.2 71.3 62.3 49 53 A A E -AD 28 65A 0 16,-2.2 16,-3.0 -2,-0.3 2,-0.4 -0.799 9.3-160.1-113.6 150.8 37.1 68.4 61.1 50 54 A T E -AD 27 64A 1 -23,-2.6 -23,-1.6 -2,-0.3 2,-0.5 -0.972 9.8-155.3-134.1 117.8 33.4 67.7 61.0 51 55 A I E -AD 26 63A 42 12,-2.9 12,-2.1 -2,-0.4 2,-0.5 -0.806 4.4-162.6 -98.2 127.3 32.0 64.2 60.8 52 56 A Y E +A 25 0A 6 -27,-2.3 -27,-3.8 -2,-0.5 2,-0.4 -0.933 12.0 174.7-107.9 128.8 28.5 63.6 59.2 53 57 A E - 0 0 98 -2,-0.5 8,-1.8 8,-0.4 2,-0.3 -0.961 26.1-131.7-138.9 121.0 26.7 60.2 59.9 54 58 A L B -E 60 0A 31 -2,-0.4 6,-0.2 6,-0.2 2,-0.1 -0.517 21.3-152.8 -71.2 127.8 23.2 59.3 58.8 55 59 A K > - 0 0 77 4,-2.7 3,-1.3 -2,-0.3 -1,-0.1 -0.269 36.3 -92.3 -84.3 179.1 21.0 57.8 61.5 56 60 A E T 3 S+ 0 0 104 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.905 128.5 52.7 -59.1 -42.5 18.1 55.4 60.9 57 61 A D T 3 S- 0 0 104 1,-0.1 -1,-0.3 2,-0.1 3,-0.1 0.372 119.4-112.1 -77.6 4.2 15.6 58.4 60.8 58 62 A K S < S+ 0 0 110 -3,-1.3 2,-0.3 1,-0.3 -2,-0.1 0.680 76.7 127.3 69.8 22.6 17.9 60.1 58.1 59 63 A S - 0 0 9 21,-0.1 -4,-2.7 -6,-0.0 2,-0.3 -0.728 58.7-115.3 -94.6 157.6 19.0 62.9 60.3 60 64 A Y E -EF 54 79A 0 19,-2.3 19,-1.2 -2,-0.3 2,-0.8 -0.698 5.3-144.8 -93.7 145.0 22.7 63.6 60.8 61 65 A N E - F 0 78A 47 -8,-1.8 2,-0.8 -2,-0.3 -8,-0.4 -0.907 26.6-163.3 -98.3 97.6 24.9 63.4 63.9 62 66 A V E - F 0 77A 0 15,-2.5 15,-1.5 -2,-0.8 2,-0.6 -0.759 10.2-178.7 -90.8 106.9 27.2 66.3 63.1 63 67 A T E -DF 51 76A 31 -12,-2.1 -12,-2.9 -2,-0.8 2,-0.4 -0.926 8.2-163.2-108.5 115.6 30.3 66.0 65.3 64 68 A S E -DF 50 75A 3 11,-3.0 11,-2.9 -2,-0.6 2,-0.4 -0.798 3.0-166.2 -94.2 139.4 33.0 68.8 65.0 65 69 A V E +DF 49 74A 6 -16,-3.0 -16,-2.2 -2,-0.4 2,-0.3 -0.979 13.2 170.3-129.1 118.1 36.4 68.1 66.4 66 70 A L E - F 0 73A 58 7,-1.5 7,-1.6 -2,-0.4 2,-0.8 -0.909 34.9-119.9-128.3 155.1 38.9 71.0 66.9 67 71 A F E + F 0 72A 41 -20,-0.4 2,-0.3 -2,-0.3 5,-0.2 -0.844 48.1 151.5 -98.1 107.2 42.3 71.4 68.6 68 72 A R E > + F 0 71A 37 3,-1.6 3,-2.1 -2,-0.8 -2,-0.1 -0.998 58.9 1.7-140.6 140.9 42.1 74.1 71.3 69 73 A K T 3 S- 0 0 101 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.830 124.7 -62.3 54.3 37.8 43.9 74.7 74.6 70 74 A K T 3 S+ 0 0 88 1,-0.2 -1,-0.3 -3,-0.0 2,-0.2 0.467 123.5 83.0 69.7 4.1 46.2 71.7 74.0 71 75 A K E < S-F 68 0A 159 -3,-2.1 -3,-1.6 99,-0.0 2,-0.5 -0.591 81.8-105.0-125.5-175.5 43.1 69.3 74.1 72 76 A a E -F 67 0A 36 -5,-0.2 2,-0.3 -2,-0.2 -5,-0.2 -0.935 26.3-157.7-125.6 111.5 40.4 68.1 71.8 73 77 A D E -F 66 0A 88 -7,-1.6 -7,-1.5 -2,-0.5 2,-0.6 -0.666 5.4-150.4 -89.7 137.3 36.9 69.5 72.0 74 78 A Y E -F 65 0A 138 -2,-0.3 2,-0.8 -9,-0.2 -9,-0.2 -0.924 9.7-169.2-114.3 109.6 34.0 67.5 70.6 75 79 A W E -F 64 0A 117 -11,-2.9 -11,-3.0 -2,-0.6 2,-0.3 -0.847 12.2-173.3-106.4 100.4 31.1 69.7 69.5 76 80 A I E +F 63 0A 86 -2,-0.8 2,-0.3 -13,-0.2 -13,-0.2 -0.723 14.1 146.6-103.0 143.9 28.0 67.5 68.7 77 81 A R E -F 62 0A 12 -15,-1.5 -15,-2.5 -2,-0.3 2,-0.5 -0.970 37.2-113.8-164.5 167.8 24.6 68.5 67.2 78 82 A T E -F 61 0A 22 13,-0.4 13,-3.3 -2,-0.3 2,-0.7 -0.945 11.9-156.0-120.7 127.2 21.8 67.1 64.9 79 83 A F E -FG 60 90A 1 -19,-1.2 -19,-2.3 -2,-0.5 11,-0.2 -0.897 14.2-159.3-100.1 113.2 20.8 68.3 61.5 80 84 A V E - 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