==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-AUG-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ANTIMICROBIAL PROTEIN 21-JUL-11 3T1D . COMPND 2 MOLECULE: NEUTROPHIL GELATINASE-ASSOCIATED LIPOCALIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE,SE . 521 4 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26492.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 354 67.9 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 . 191 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 . 1 0.2 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 . 50 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 54 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 41 7.9 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 0 3 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 . 1 6 3 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 2 1 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 0 126 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -45.0 61.1 31.6 40.5 2 4 A T + 0 0 84 2,-0.0 248,-0.4 247,-0.0 0, 0.0 0.449 360.0 119.9-107.8 -9.4 64.6 31.6 42.0 3 5 A S - 0 0 72 1,-0.1 245,-0.0 246,-0.1 2,-0.0 -0.046 69.0 -94.5 -75.1 162.8 65.9 35.0 40.8 4 6 A D - 0 0 77 245,-0.1 2,-0.4 1,-0.0 245,-0.2 -0.313 42.3-144.6 -68.1 150.9 67.2 38.1 42.6 5 7 A L B -A 248 0A 6 243,-2.1 243,-3.3 125,-0.0 33,-0.1 -0.952 17.8-113.2-124.3 142.6 64.6 40.8 43.4 6 8 A I - 0 0 19 -2,-0.4 241,-0.2 31,-0.3 31,-0.1 -0.558 56.5-103.3 -60.9 132.9 64.6 44.6 43.5 7 9 A P - 0 0 19 0, 0.0 -1,-0.1 0, 0.0 123,-0.1 -0.302 29.1-104.8 -68.1 148.2 64.0 45.2 47.3 8 10 A A - 0 0 16 121,-0.1 339,-0.4 1,-0.1 3,-0.1 -0.431 44.2-114.4 -60.1 140.6 60.6 46.3 48.6 9 11 A P - 0 0 12 0, 0.0 -1,-0.1 0, 0.0 148,-0.1 -0.476 35.0 -92.0 -73.2 153.1 60.8 50.0 49.5 10 12 A P > - 0 0 74 0, 0.0 3,-2.4 0, 0.0 4,-0.1 -0.389 37.3-118.4 -58.7 144.3 60.5 51.1 53.1 11 13 A L G > S+ 0 0 61 1,-0.3 3,-1.9 2,-0.2 -3,-0.0 0.737 109.6 76.5 -61.1 -19.7 56.8 51.9 53.8 12 14 A S G 3 S+ 0 0 112 1,-0.3 -1,-0.3 3,-0.0 0, 0.0 0.622 91.9 53.9 -63.7 -16.1 57.9 55.5 54.5 13 15 A K G < S+ 0 0 119 -3,-2.4 -1,-0.3 1,-0.1 -2,-0.2 0.350 95.5 77.7 -95.7 1.7 58.2 56.0 50.7 14 16 A V S < S- 0 0 2 -3,-1.9 -1,-0.1 -4,-0.1 106,-0.0 -0.892 76.1-147.6-115.3 99.1 54.7 54.8 50.1 15 17 A P - 0 0 74 0, 0.0 2,-0.5 0, 0.0 -2,-0.1 -0.200 6.5-135.5 -66.0 159.9 52.1 57.5 50.9 16 18 A L - 0 0 54 73,-0.0 93,-0.3 4,-0.0 94,-0.1 -0.973 27.5-105.7-114.8 130.0 48.6 56.6 52.2 17 19 A Q > - 0 0 41 91,-3.2 3,-0.7 -2,-0.5 93,-0.1 -0.317 41.4-117.1 -53.7 123.6 45.5 58.3 50.8 18 20 A Q T 3 S- 0 0 171 1,-0.2 3,-0.1 91,-0.2 -1,-0.1 -0.421 87.4 -2.5 -66.3 131.3 44.3 60.8 53.4 19 21 A N T 3 S- 0 0 133 1,-0.2 -1,-0.2 -2,-0.1 69,-0.1 0.904 88.1-148.0 53.8 55.5 40.8 60.1 54.8 20 22 A F < - 0 0 18 -3,-0.7 2,-0.7 67,-0.3 -1,-0.2 -0.304 4.8-148.1 -58.6 135.7 40.1 57.0 52.6 21 23 A Q > - 0 0 78 1,-0.2 4,-1.3 -3,-0.1 3,-0.4 -0.881 10.2-170.4-112.2 99.3 36.5 56.6 51.7 22 24 A D H > S+ 0 0 59 -2,-0.7 4,-0.6 1,-0.2 3,-0.2 0.842 85.5 54.2 -61.9 -34.5 35.8 52.9 51.3 23 25 A N H >4 S+ 0 0 88 1,-0.2 3,-0.6 2,-0.2 -1,-0.2 0.883 109.3 47.5 -67.9 -36.4 32.3 53.5 49.8 24 26 A Q H 34 S+ 0 0 79 -3,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.717 106.3 58.3 -79.0 -21.1 33.7 55.7 47.1 25 27 A F H 3< S+ 0 0 1 -4,-1.3 -1,-0.2 -3,-0.2 -2,-0.2 0.615 86.3 106.0 -81.0 -17.3 36.5 53.3 46.1 26 28 A Q << + 0 0 73 -4,-0.6 2,-0.2 -3,-0.6 29,-0.2 -0.116 53.3 46.4 -60.4 165.9 34.1 50.5 45.3 27 29 A G E S-K 54 0B 27 27,-3.0 27,-2.5 2,-0.1 2,-0.3 -0.628 94.3 -19.4 103.3-163.2 33.2 49.2 41.9 28 30 A K E -K 53 0B 63 25,-0.2 2,-0.4 -2,-0.2 25,-0.2 -0.644 50.7-178.4 -88.4 135.2 35.2 48.3 38.8 29 31 A W E -K 52 0B 0 23,-2.3 23,-3.0 -2,-0.3 2,-0.4 -0.992 16.8-143.2-126.9 138.0 38.7 49.5 38.1 30 32 A Y E -KL 51 137B 27 107,-3.0 107,-2.2 -2,-0.4 2,-1.3 -0.807 21.5-120.8 -95.1 142.7 40.7 48.8 35.0 31 33 A V E + L 0 136B 0 19,-2.8 19,-0.3 -2,-0.4 105,-0.2 -0.669 41.1 163.5 -87.0 95.2 44.4 48.2 35.3 32 34 A V E + 0 0 7 103,-1.7 2,-0.3 -2,-1.3 104,-0.2 0.685 67.8 19.5 -86.1 -22.5 45.9 50.9 33.0 33 35 A G E - L 0 135B 0 102,-1.6 102,-2.7 133,-0.2 2,-0.3 -0.994 62.0-173.6-146.4 153.3 49.4 50.6 34.4 34 36 A L E +ML 165 134B 4 131,-2.8 131,-3.8 -2,-0.3 2,-0.3 -0.992 7.8 168.7-148.9 129.2 51.4 48.0 36.4 35 37 A A E +ML 164 133B 0 98,-2.1 98,-3.2 -2,-0.3 2,-0.3 -0.985 16.7 126.9-139.3 147.6 54.9 48.2 37.9 36 38 A G E > - L 0 132B 0 127,-1.7 3,-1.0 3,-0.3 96,-0.2 -0.940 65.5 -90.2 175.6 169.3 56.6 45.8 40.3 37 39 A N T 3 S+ 0 0 7 94,-1.6 -31,-0.3 -2,-0.3 95,-0.1 0.673 126.3 40.7 -74.2 -15.9 59.7 43.8 41.1 38 40 A A T 3 S+ 0 0 63 93,-0.5 2,-0.5 125,-0.1 -1,-0.3 0.256 96.0 100.0-104.8 6.9 58.2 40.6 39.4 39 41 A I < - 0 0 35 -3,-1.0 2,-0.4 124,-0.2 -3,-0.3 -0.831 50.8-179.0 -96.9 126.0 56.7 42.7 36.5 40 42 A L - 0 0 96 -2,-0.5 123,-0.2 123,-0.1 2,-0.1 -0.978 30.3-115.2-126.5 135.7 58.8 42.6 33.3 41 43 A R - 0 0 100 121,-2.2 2,-0.4 -2,-0.4 124,-0.1 -0.461 28.8-165.1 -67.7 136.9 58.0 44.4 30.0 42 44 A E + 0 0 106 -2,-0.1 3,-0.5 1,-0.1 -1,-0.1 -0.816 17.3 175.6-130.8 90.5 57.4 42.0 27.2 43 45 A D S S+ 0 0 145 -2,-0.4 -1,-0.1 1,-0.2 -2,-0.0 0.863 85.0 55.9 -62.1 -34.4 57.5 43.4 23.6 44 46 A K S S+ 0 0 102 1,-0.2 -1,-0.2 0, 0.0 -2,-0.0 0.815 128.9 11.4 -69.3 -30.1 56.9 40.0 22.2 45 47 A D S S- 0 0 112 -3,-0.5 -1,-0.2 3,-0.0 -2,-0.2 -0.449 86.6-149.6-150.3 71.2 53.7 39.3 24.1 46 48 A P - 0 0 67 0, 0.0 -3,-0.1 0, 0.0 -5,-0.1 -0.018 27.1 -99.7 -55.1 136.5 52.4 42.6 25.8 47 49 A Q - 0 0 85 1,-0.1 121,-2.3 120,-0.1 2,-0.3 -0.261 40.5-135.4 -48.9 132.4 50.4 42.4 29.1 48 50 A K B -t 168 0C 84 119,-0.3 -1,-0.1 21,-0.1 21,-0.1 -0.753 25.0 -97.5 -92.3 146.1 46.7 42.7 28.4 49 51 A M - 0 0 3 119,-2.7 20,-0.4 -2,-0.3 2,-0.3 -0.306 44.1-178.8 -56.7 139.6 44.5 44.9 30.4 50 52 A Y - 0 0 22 -19,-0.3 -19,-2.8 18,-0.1 2,-0.3 -0.833 16.5-129.8-131.2 173.8 42.5 43.2 33.2 51 53 A A E -KN 30 67B 0 16,-2.1 16,-2.9 -2,-0.3 2,-0.4 -0.933 6.7-155.8-128.7 150.5 40.0 44.6 35.7 52 54 A T E -KN 29 66B 4 -23,-3.0 -23,-2.3 -2,-0.3 2,-0.5 -0.996 10.0-158.1-128.2 128.5 39.5 44.4 39.5 53 55 A I E -KN 28 65B 37 12,-2.8 12,-2.5 -2,-0.4 2,-0.6 -0.928 1.9-161.0-112.0 127.9 36.1 44.8 41.1 54 56 A Y E -KN 27 64B 3 -27,-2.5 -27,-3.0 -2,-0.5 2,-0.6 -0.937 6.0-172.5-111.8 116.6 35.8 45.9 44.7 55 57 A E E - N 0 63B 101 8,-2.5 8,-2.3 -2,-0.6 2,-0.4 -0.948 19.3-137.4-112.1 119.3 32.6 45.2 46.4 56 58 A L E - N 0 62B 45 -2,-0.6 6,-0.2 6,-0.2 2,-0.2 -0.631 20.1-150.9 -76.2 123.6 32.2 46.6 49.9 57 59 A K > - 0 0 61 4,-2.9 3,-2.5 -2,-0.4 -1,-0.0 -0.574 28.0-107.1 -90.1 160.4 30.5 44.1 52.3 58 60 A E T 3 S+ 0 0 211 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.0 0.813 121.8 58.7 -54.8 -34.7 28.4 45.0 55.3 59 61 A D T 3 S- 0 0 100 2,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.394 119.6-112.5 -79.6 3.0 31.2 43.9 57.6 60 62 A K S < S+ 0 0 39 -3,-2.5 2,-0.2 1,-0.3 -2,-0.1 0.390 80.4 116.0 86.3 -1.0 33.5 46.6 55.8 61 63 A S - 0 0 11 21,-0.1 -4,-2.9 22,-0.1 2,-0.4 -0.493 63.8-119.8 -85.3 165.0 35.8 44.1 54.1 62 64 A Y E -NO 56 81B 0 19,-2.5 19,-2.4 -6,-0.2 2,-0.6 -0.927 4.4-144.4-107.0 134.4 36.0 44.0 50.3 63 65 A N E -NO 55 80B 63 -8,-2.3 -8,-2.5 -2,-0.4 2,-0.5 -0.891 31.0-158.9 -83.4 121.7 35.2 41.0 48.1 64 66 A V E -NO 54 79B 9 15,-3.5 15,-2.4 -2,-0.6 2,-0.5 -0.922 13.9-173.5-115.5 126.7 37.7 41.5 45.4 65 67 A T E -NO 53 78B 37 -12,-2.5 -12,-2.8 -2,-0.5 2,-0.4 -0.970 6.1-163.5-123.2 115.0 37.4 40.0 41.9 66 68 A S E -NO 52 77B 25 11,-3.2 11,-2.3 -2,-0.5 2,-0.5 -0.842 7.4-161.6 -93.3 137.6 40.1 40.2 39.2 67 69 A V E +NO 51 76B 7 -16,-2.9 -16,-2.1 -2,-0.4 2,-0.3 -0.988 15.4 171.6-123.7 120.5 39.0 39.4 35.7 68 70 A L E - 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