==== 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 18-AUG-04 1X8U . 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 . 517 4 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27119.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 350 67.7 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 36.8 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 . 53 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 52 10.1 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 3 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 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 3 A S 0 0 125 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 138.5 26.5 94.7 73.8 2 4 A T + 0 0 140 2,-0.0 2,-0.3 0, 0.0 0, 0.0 -0.922 360.0 165.1-146.1 113.6 26.7 96.9 70.7 3 5 A S - 0 0 63 -2,-0.3 2,-0.4 2,-0.0 0, 0.0 -0.972 26.3-150.2-137.4 152.0 27.7 94.9 67.6 4 6 A D - 0 0 152 -2,-0.3 2,-0.3 2,-0.0 -2,-0.0 -0.990 20.6-175.2-120.2 133.9 27.6 95.6 63.8 5 7 A L - 0 0 62 -2,-0.4 33,-0.1 33,-0.0 32,-0.1 -0.969 32.8-114.0-134.6 146.8 27.2 92.8 61.4 6 8 A I - 0 0 44 -2,-0.3 31,-0.1 31,-0.3 153,-0.1 -0.564 55.1-104.6 -68.6 134.7 27.3 92.4 57.6 7 9 A P - 0 0 103 0, 0.0 -1,-0.1 0, 0.0 123,-0.1 -0.362 30.3-104.7 -67.3 147.9 23.7 91.3 56.9 8 10 A A - 0 0 18 121,-0.1 3,-0.1 1,-0.1 114,-0.1 -0.325 44.4-113.2 -62.4 146.6 22.8 87.7 56.1 9 11 A P - 0 0 12 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.458 35.8 -91.4 -81.9 159.9 22.2 87.4 52.3 10 12 A P > - 0 0 77 0, 0.0 3,-2.8 0, 0.0 4,-0.1 -0.476 37.0-116.6 -68.7 147.0 18.7 86.6 51.1 11 13 A L G > S+ 0 0 71 1,-0.3 3,-2.1 2,-0.2 -3,-0.0 0.773 110.5 73.5 -53.7 -25.2 18.3 82.9 50.7 12 14 A S G 3 S+ 0 0 112 1,-0.3 -1,-0.3 3,-0.0 0, 0.0 0.602 90.6 57.3 -70.7 -9.7 17.8 83.4 47.0 13 15 A K G < S+ 0 0 120 -3,-2.8 -1,-0.3 1,-0.1 -2,-0.2 0.303 92.7 81.4 -97.3 9.3 21.5 84.1 46.6 14 16 A V S < S- 0 0 4 -3,-2.1 -1,-0.1 -4,-0.1 106,-0.0 -0.879 73.5-147.1-119.6 103.8 22.4 80.7 48.1 15 17 A P - 0 0 74 0, 0.0 2,-0.4 0, 0.0 -2,-0.1 -0.256 8.6-135.4 -68.5 157.0 22.2 77.8 45.7 16 18 A L - 0 0 26 73,-0.0 2,-0.4 4,-0.0 93,-0.3 -0.923 25.0-110.4-109.2 133.6 21.2 74.3 46.9 17 19 A Q - 0 0 44 91,-2.9 3,-0.5 -2,-0.4 93,-0.1 -0.478 41.3-126.9 -62.9 120.2 23.2 71.2 45.7 18 20 A Q S S+ 0 0 123 -2,-0.4 -1,-0.1 1,-0.2 70,-0.0 -0.333 84.1 11.7 -70.9 151.4 20.7 69.4 43.4 19 21 A N S S- 0 0 137 1,-0.2 -1,-0.2 68,-0.1 2,-0.2 0.916 88.3-156.0 51.5 54.8 19.9 65.7 43.9 20 22 A F - 0 0 17 -3,-0.5 2,-0.8 67,-0.3 -1,-0.2 -0.458 6.2-151.6 -68.1 130.7 21.5 65.8 47.4 21 23 A Q > - 0 0 82 -2,-0.2 4,-1.1 1,-0.2 3,-0.5 -0.809 9.0-170.4-104.6 101.3 22.7 62.3 48.5 22 24 A D H >> S+ 0 0 45 -2,-0.8 4,-0.8 1,-0.2 3,-0.6 0.898 85.4 54.4 -59.5 -36.1 22.7 62.1 52.3 23 25 A N H >4 S+ 0 0 76 1,-0.2 3,-0.6 2,-0.2 -1,-0.2 0.886 109.6 47.0 -65.0 -38.6 24.5 58.8 52.4 24 26 A Q H 34 S+ 0 0 60 -3,-0.5 -1,-0.2 1,-0.2 -2,-0.2 0.580 103.8 62.0 -79.4 -10.7 27.4 60.1 50.3 25 27 A F H << S+ 0 0 2 -4,-1.1 -1,-0.2 -3,-0.6 29,-0.2 0.682 84.7 105.7 -88.6 -13.1 27.8 63.3 52.3 26 28 A Q << + 0 0 66 -4,-0.8 29,-0.2 -3,-0.6 2,-0.2 0.048 53.3 47.2 -59.6 167.7 28.6 61.4 55.5 27 29 A G E S-A 54 0A 24 27,-3.5 27,-2.6 2,-0.0 2,-0.3 -0.508 92.6 -22.3 99.2-165.6 32.0 61.0 57.1 28 30 A K E -A 53 0A 39 25,-0.2 2,-0.4 -2,-0.2 25,-0.2 -0.622 49.4-176.3 -92.4 141.2 34.8 63.4 57.9 29 31 A W E -A 52 0A 0 23,-2.0 23,-2.8 -2,-0.3 2,-0.3 -0.998 17.3-140.6-131.7 138.6 35.4 66.8 56.3 30 32 A Y E -AB 51 137A 3 107,-3.5 107,-2.6 -2,-0.4 2,-1.2 -0.742 20.0-126.2 -92.3 145.4 38.2 69.2 56.9 31 33 A V E + B 0 136A 0 19,-2.2 19,-0.3 -2,-0.3 105,-0.2 -0.740 40.2 162.2 -89.5 95.9 37.4 73.0 57.1 32 34 A V E + 0 0 7 103,-2.3 2,-0.3 -2,-1.2 -1,-0.2 0.760 68.7 26.3 -89.3 -19.9 39.9 74.3 54.5 33 35 A G E - B 0 135A 0 102,-1.7 102,-2.7 133,-0.2 2,-0.3 -0.980 65.4-174.8-139.1 149.4 38.1 77.7 54.1 34 36 A L E +CB 165 134A 5 131,-2.5 131,-3.7 -2,-0.3 2,-0.3 -0.971 9.3 166.4-147.7 127.0 35.9 79.5 56.5 35 37 A A E +CB 164 133A 0 98,-2.4 98,-3.0 -2,-0.3 2,-0.3 -0.997 13.0 123.5-143.4 147.3 33.8 82.8 55.9 36 38 A G E > - B 0 132A 0 127,-1.8 3,-0.9 -2,-0.3 96,-0.2 -0.982 66.0 -88.3 174.9 171.9 31.1 84.6 57.7 37 39 A N T 3 S+ 0 0 6 94,-1.7 -31,-0.3 -2,-0.3 95,-0.1 0.678 128.2 39.5 -79.3 -11.2 29.9 87.9 59.3 38 40 A A T 3 S+ 0 0 62 93,-0.6 2,-0.5 125,-0.1 -1,-0.2 0.198 95.2 100.3-114.7 15.4 31.4 86.9 62.6 39 41 A I < - 0 0 33 -3,-0.9 2,-0.4 124,-0.2 -3,-0.3 -0.873 51.1-178.2 -98.2 127.6 34.6 85.3 61.1 40 42 A L - 0 0 102 -2,-0.5 123,-0.2 123,-0.1 122,-0.1 -0.983 29.3-119.1-129.9 132.3 37.7 87.7 61.2 41 43 A R - 0 0 54 121,-2.1 2,-0.3 -2,-0.4 3,-0.1 -0.318 25.7-167.2 -61.6 143.8 41.2 87.1 59.8 42 44 A E - 0 0 53 1,-0.1 -1,-0.1 2,-0.1 3,-0.1 -0.706 9.3-178.2-140.2 84.1 43.7 87.2 62.7 43 45 A D S S+ 0 0 102 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.0 0.743 81.7 56.8 -56.2 -27.2 47.2 87.4 61.2 44 46 A K S S+ 0 0 79 1,-0.3 -1,-0.2 -3,-0.1 -2,-0.1 0.974 126.3 14.7 -71.5 -54.3 48.8 87.3 64.7 45 47 A D S S- 0 0 134 -3,-0.1 -1,-0.3 3,-0.0 -2,-0.2 -0.619 89.9-154.3-119.7 71.2 47.2 84.0 65.8 46 48 A P - 0 0 67 0, 0.0 2,-0.1 0, 0.0 -3,-0.1 -0.018 27.6 -96.9 -48.5 142.7 45.9 82.5 62.5 47 49 A Q - 0 0 92 1,-0.1 121,-2.6 120,-0.0 2,-0.3 -0.389 36.2-130.2 -64.1 135.0 43.0 80.1 62.9 48 50 A K B -j 168 0B 93 119,-0.3 -1,-0.1 21,-0.1 21,-0.1 -0.665 26.7-102.3 -90.6 141.9 43.9 76.3 63.0 49 51 A M - 0 0 2 119,-2.5 20,-0.4 -2,-0.3 2,-0.3 -0.196 41.7-177.1 -56.2 144.0 42.1 73.8 60.8 50 52 A Y - 0 0 24 -19,-0.3 -19,-2.2 18,-0.1 2,-0.3 -0.872 15.7-129.0-132.5 175.3 39.4 71.7 62.5 51 53 A A E -AD 30 67A 0 16,-2.0 16,-2.6 -2,-0.3 2,-0.4 -0.933 6.9-153.2-132.2 156.5 37.2 68.8 61.2 52 54 A T E -AD 29 66A 5 -23,-2.8 -23,-2.0 -2,-0.3 2,-0.5 -0.992 9.5-155.6-132.3 125.7 33.5 68.1 61.2 53 55 A I E -AD 28 65A 39 12,-3.7 12,-1.9 -2,-0.4 2,-0.6 -0.900 2.3-160.0-106.2 121.2 32.2 64.5 61.0 54 56 A Y E -AD 27 64A 6 -27,-2.6 -27,-3.5 -2,-0.5 2,-0.5 -0.898 10.9-178.8 -99.9 119.8 28.6 63.8 59.6 55 57 A E E - D 0 63A 105 8,-2.1 8,-3.5 -2,-0.6 2,-0.3 -0.982 21.7-137.5-119.6 122.5 27.1 60.4 60.7 56 58 A L E - D 0 62A 29 -2,-0.5 6,-0.2 6,-0.2 2,-0.1 -0.597 19.5-151.7 -76.4 126.2 23.6 59.4 59.3 57 59 A K > - 0 0 76 4,-3.0 3,-2.2 -2,-0.3 -1,-0.0 -0.448 35.0 -94.4 -89.9 173.8 21.5 57.9 62.1 58 60 A E T 3 S+ 0 0 183 1,-0.3 -1,-0.1 -2,-0.1 -2,-0.0 0.903 127.3 54.0 -55.5 -44.1 18.8 55.3 61.3 59 61 A D T 3 S- 0 0 107 1,-0.1 -1,-0.3 2,-0.0 3,-0.1 0.311 119.8-111.1 -72.4 7.4 16.1 58.1 61.2 60 62 A K S < S+ 0 0 101 -3,-2.2 2,-0.2 1,-0.3 -2,-0.1 0.620 77.9 127.1 72.2 13.2 18.3 59.9 58.6 61 63 A S - 0 0 8 21,-0.1 -4,-3.0 22,-0.0 2,-0.4 -0.595 59.9-117.8 -87.7 161.9 19.2 62.8 60.9 62 64 A Y E -DE 56 81A 0 19,-2.8 19,-2.0 -6,-0.2 2,-0.7 -0.854 7.2-144.1-105.8 144.6 23.0 63.5 61.1 63 65 A N E -DE 55 80A 49 -8,-3.5 -8,-2.1 -2,-0.4 2,-0.5 -0.906 27.4-158.2 -97.6 120.4 25.0 63.3 64.2 64 66 A V E +DE 54 79A 8 15,-3.4 15,-2.9 -2,-0.7 2,-0.5 -0.922 15.3 178.6-113.3 120.6 27.4 66.1 63.8 65 67 A T E -DE 53 78A 32 -12,-1.9 -12,-3.7 -2,-0.5 2,-0.4 -0.973 6.0-169.8-121.6 122.7 30.8 66.2 65.7 66 68 A S E -DE 52 77A 25 11,-2.8 11,-2.9 -2,-0.5 2,-0.4 -0.885 6.3-165.1-109.3 141.7 33.3 68.9 65.2 67 69 A V E +DE 51 76A 5 -16,-2.6 -16,-2.0 -2,-0.4 2,-0.3 -0.996 9.9 173.5-131.1 133.3 36.8 68.5 66.7 68 70 A L E - 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