==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-OCT-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ANTIMICROBIAL PROTEIN 28-SEP-11 3U0D . COMPND 2 MOLECULE: NEUTROPHIL GELATINASE-ASSOCIATED LIPOCALIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE (S . 698 4 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33999.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 464 66.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 1.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 257 36.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 8 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 12 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 0.1 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 . 67 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 67 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 53 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 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 7 5 4 0 8 0 0 8 4 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 2 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 0 137 0, 0.0 600,-0.5 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 -51.3 37.6 26.6 1.3 2 5 A S - 0 0 58 1,-0.1 597,-0.1 598,-0.1 0, 0.0 -0.337 360.0-103.9 -68.5 140.8 38.0 23.4 3.5 3 6 A D - 0 0 69 -2,-0.1 2,-0.3 1,-0.1 597,-0.2 -0.226 38.3-148.8 -62.9 151.9 39.2 20.1 1.9 4 7 A L B -A 599 0A 11 595,-1.8 595,-2.7 125,-0.0 33,-0.1 -0.955 20.9-111.2-130.6 142.5 36.6 17.3 1.3 5 8 A I - 0 0 23 -2,-0.3 593,-0.2 31,-0.3 31,-0.1 -0.589 56.1-109.4 -65.1 128.0 36.4 13.5 1.2 6 9 A P - 0 0 23 0, 0.0 -1,-0.1 0, 0.0 691,-0.1 -0.234 27.7-100.7 -69.9 153.0 35.8 12.9 -2.5 7 10 A A - 0 0 18 1,-0.1 691,-0.3 -3,-0.1 3,-0.1 -0.364 42.3-116.0 -63.4 143.8 32.5 11.6 -3.9 8 11 A P - 0 0 15 0, 0.0 -1,-0.1 0, 0.0 148,-0.1 -0.511 32.9 -93.3 -79.3 154.4 32.6 7.9 -4.7 9 12 A P > - 0 0 68 0, 0.0 3,-2.0 0, 0.0 4,-0.2 -0.388 33.2-124.6 -58.5 143.3 32.2 6.6 -8.2 10 13 A L G > S+ 0 0 35 1,-0.3 3,-3.8 2,-0.2 0, 0.0 0.876 107.0 77.5 -63.7 -34.0 28.5 5.8 -8.8 11 14 A S G 3 S+ 0 0 115 1,-0.3 -1,-0.3 3,-0.0 0, 0.0 0.702 93.6 52.1 -42.6 -28.9 29.6 2.2 -9.7 12 15 A K G < S+ 0 0 111 -3,-2.0 -1,-0.3 1,-0.1 -2,-0.2 0.485 95.3 77.0 -87.6 -8.7 29.9 1.8 -5.9 13 16 A V S < S- 0 0 2 -3,-3.8 -1,-0.1 -4,-0.2 106,-0.0 -0.901 79.3-140.0-104.3 104.6 26.3 3.0 -5.1 14 17 A P - 0 0 70 0, 0.0 2,-0.4 0, 0.0 -2,-0.1 -0.225 4.4-138.2 -58.4 153.7 23.7 0.3 -5.9 15 18 A L - 0 0 59 73,-0.0 2,-0.3 4,-0.0 93,-0.2 -0.964 27.3-111.6-107.1 134.6 20.4 1.1 -7.5 16 19 A Q > - 0 0 29 91,-2.0 3,-0.7 -2,-0.4 93,-0.1 -0.515 35.7-116.5 -66.5 129.4 17.3 -0.7 -6.1 17 20 A Q T 3 S- 0 0 71 -2,-0.3 -1,-0.1 1,-0.2 70,-0.0 -0.300 86.6 -0.4 -72.2 138.6 15.8 -3.2 -8.6 18 21 A N T 3 S- 0 0 33 1,-0.2 -1,-0.2 68,-0.0 2,-0.1 0.884 85.9-148.3 52.3 51.7 12.3 -2.6 -10.0 19 22 A F < - 0 0 24 -3,-0.7 2,-0.8 67,-0.4 -1,-0.2 -0.288 6.6-152.9 -55.6 124.8 11.6 0.6 -7.9 20 23 A Q > - 0 0 16 1,-0.1 4,-0.9 444,-0.1 3,-0.1 -0.831 8.1-170.3-101.8 102.4 7.9 1.1 -6.9 21 24 A D T 4 S+ 0 0 50 -2,-0.8 4,-0.5 1,-0.2 3,-0.2 0.806 83.5 57.2 -65.1 -27.8 7.2 4.8 -6.5 22 25 A N T >4 S+ 0 0 53 1,-0.2 3,-1.0 2,-0.2 -1,-0.2 0.957 109.4 43.6 -64.5 -48.8 3.7 4.2 -5.0 23 26 A Q T 34 S+ 0 0 46 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.2 0.546 106.2 61.0 -76.7 -12.3 5.0 2.0 -2.1 24 27 A F T 3< S+ 0 0 1 -4,-0.9 -1,-0.2 -3,-0.2 29,-0.2 0.576 88.4 106.2 -88.4 -10.2 8.0 4.3 -1.3 25 28 A Q < + 0 0 75 -3,-1.0 29,-0.2 -4,-0.5 2,-0.2 -0.043 53.0 39.8 -61.9 169.1 5.6 7.2 -0.5 26 29 A G E S-K 53 0B 27 27,-3.0 27,-2.8 2,-0.0 2,-0.3 -0.527 95.5 -15.7 90.4-157.9 4.6 8.7 2.8 27 30 A K E -K 52 0B 51 25,-0.2 2,-0.3 -2,-0.2 25,-0.2 -0.624 49.0-179.6 -96.2 138.7 6.7 9.4 5.9 28 31 A W E -K 51 0B 0 23,-1.9 23,-2.4 -2,-0.3 2,-0.3 -0.990 19.1-139.1-129.0 139.4 10.2 8.2 6.8 29 32 A Y E -KL 50 136B 24 107,-3.0 107,-1.8 -2,-0.3 2,-1.0 -0.763 21.2-123.3 -92.2 144.6 12.3 8.9 9.9 30 33 A V E + L 0 135B 0 19,-2.3 19,-0.3 -2,-0.3 105,-0.2 -0.777 41.9 160.6 -91.9 102.1 16.0 9.6 9.6 31 34 A V E + 0 0 16 103,-2.0 2,-0.3 -2,-1.0 104,-0.2 0.558 67.6 24.3-101.3 -16.1 17.5 7.0 11.9 32 35 A G E - L 0 134B 0 102,-1.6 102,-2.7 133,-0.2 2,-0.3 -0.982 65.4-179.0-146.8 148.4 21.1 7.1 10.4 33 36 A L E +ML 164 133B 3 131,-2.5 131,-2.9 -2,-0.3 2,-0.3 -0.952 6.8 162.8-153.1 125.7 22.9 9.8 8.5 34 37 A A E +ML 163 132B 0 98,-2.2 98,-2.7 -2,-0.3 2,-0.2 -0.937 11.4 124.3-139.6 168.3 26.4 10.0 6.9 35 38 A G E > - L 0 131B 0 127,-1.2 3,-1.0 96,-0.3 96,-0.2 -0.894 66.6 -78.2 157.6 172.8 28.3 12.2 4.3 36 39 A N T 3 S+ 0 0 8 94,-1.6 -31,-0.3 1,-0.3 95,-0.1 0.533 128.0 38.5 -83.4 -7.5 31.4 14.3 3.8 37 40 A A T 3 S+ 0 0 67 93,-0.4 2,-0.5 125,-0.1 -1,-0.3 0.040 93.0 102.7-123.2 19.0 29.9 17.4 5.6 38 41 A I < - 0 0 36 -3,-1.0 2,-0.4 124,-0.1 -3,-0.3 -0.930 52.5-177.5-100.3 125.3 28.2 15.4 8.3 39 42 A L - 0 0 115 -2,-0.5 123,-0.2 -5,-0.1 2,-0.1 -0.985 31.5-114.2-127.4 130.8 30.2 15.6 11.6 40 43 A R - 0 0 36 121,-2.1 2,-0.3 -2,-0.4 124,-0.0 -0.423 30.4-167.1 -55.7 133.1 29.6 13.9 14.9 41 44 A E + 0 0 52 1,-0.1 3,-0.5 -2,-0.1 -1,-0.1 -0.741 12.4 177.0-131.3 84.4 28.9 16.7 17.5 42 45 A D S S+ 0 0 154 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.0 0.781 81.3 54.9 -60.3 -34.6 29.1 15.2 21.0 43 46 A K S S+ 0 0 82 1,-0.2 -1,-0.2 0, 0.0 -2,-0.0 0.898 128.1 17.3 -63.3 -41.3 28.4 18.6 22.7 44 47 A D S S- 0 0 123 -3,-0.5 -1,-0.2 0, 0.0 -2,-0.1 -0.687 85.8-152.2-136.4 81.2 25.2 19.0 20.7 45 48 A P - 0 0 71 0, 0.0 -3,-0.1 0, 0.0 -5,-0.1 -0.221 25.6-105.8 -63.9 137.5 23.9 15.7 19.1 46 49 A Q - 0 0 88 1,-0.1 121,-1.7 120,-0.0 2,-0.3 -0.227 36.5-133.6 -52.8 142.9 21.9 15.9 15.9 47 50 A K B -t 167 0C 77 119,-0.2 -1,-0.1 21,-0.2 21,-0.1 -0.796 23.0 -98.3-103.6 148.3 18.2 15.3 16.5 48 51 A M + 0 0 3 119,-2.4 20,-0.3 -2,-0.3 2,-0.3 -0.349 43.9 178.5 -56.5 140.5 16.0 13.0 14.4 49 52 A Y - 0 0 20 -19,-0.3 -19,-2.3 18,-0.1 2,-0.3 -0.820 18.5-126.4-131.6 177.2 13.9 14.7 11.7 50 53 A A E -KN 29 66B 0 16,-1.9 16,-1.8 -2,-0.3 2,-0.4 -0.890 6.8-153.1-128.6 159.7 11.4 13.2 9.2 51 54 A T E -KN 28 65B 3 -23,-2.4 -23,-1.9 -2,-0.3 2,-0.5 -0.993 9.5-157.8-134.5 119.5 11.0 13.4 5.4 52 55 A I E -KN 27 64B 36 12,-3.1 12,-1.8 -2,-0.4 2,-0.6 -0.902 4.2-158.6-100.4 122.4 7.5 12.9 3.8 53 56 A Y E -KN 26 63B 3 -27,-2.8 -27,-3.0 -2,-0.5 2,-0.6 -0.895 9.0-170.2-100.8 115.2 7.5 11.8 0.1 54 57 A E E - N 0 62B 103 8,-2.4 8,-2.7 -2,-0.6 2,-0.3 -0.920 15.0-140.7-110.8 118.9 4.2 12.6 -1.7 55 58 A L E - N 0 61B 36 -2,-0.6 2,-0.3 6,-0.2 6,-0.2 -0.592 19.7-154.4 -75.6 130.2 3.6 11.2 -5.1 56 59 A K > - 0 0 75 4,-2.8 3,-3.0 -2,-0.3 4,-0.1 -0.769 30.0-104.7-103.5 152.4 1.9 13.6 -7.4 57 60 A E T 3 S+ 0 0 153 -2,-0.3 -1,-0.1 1,-0.3 -2,-0.0 0.760 121.7 55.7 -33.8 -43.9 -0.3 12.9 -10.5 58 61 A D T 3 S- 0 0 94 2,-0.1 -1,-0.3 1,-0.1 213,-0.2 0.385 121.8-107.5 -82.4 5.0 2.6 13.9 -12.8 59 62 A K S < S+ 0 0 69 -3,-3.0 2,-0.2 1,-0.3 -2,-0.1 0.558 79.5 125.6 77.1 18.3 4.8 11.3 -11.1 60 63 A S - 0 0 8 21,-0.1 -4,-2.8 -4,-0.1 2,-0.5 -0.569 58.8-123.0 -91.6 161.4 7.0 13.8 -9.2 61 64 A Y E -NO 55 80B 1 19,-2.6 19,-2.6 -6,-0.2 2,-0.6 -0.933 9.3-151.7-102.4 128.4 7.5 13.8 -5.5 62 65 A N E -NO 54 79B 45 -8,-2.7 -8,-2.4 -2,-0.5 2,-0.5 -0.927 27.2-158.4 -88.9 125.9 6.7 16.8 -3.4 63 66 A V E +NO 53 78B 0 15,-3.1 15,-1.7 -2,-0.6 2,-0.5 -0.916 18.3 178.8-124.7 121.0 9.1 16.5 -0.5 64 67 A T E -NO 52 77B 25 -12,-1.8 -12,-3.1 -2,-0.5 2,-0.5 -0.966 8.9-164.9-125.0 123.9 8.9 18.0 2.9 65 68 A S E -NO 51 76B 4 11,-2.4 11,-2.3 -2,-0.5 2,-0.5 -0.935 9.0-158.5-105.9 134.9 11.4 17.6 5.8 66 69 A V E +NO 50 75B 14 -16,-1.8 -16,-1.9 -2,-0.5 2,-0.3 -0.960 18.2 171.6-116.9 124.1 10.3 18.6 9.2 67 70 A L E - O 0 74B 14 7,-2.0 7,-1.9 -2,-0.5 2,-0.6 -0.862 33.8-122.1-131.5 162.1 12.9 19.4 11.9 68 71 A F E + O 0 73B 45 -20,-0.3 2,-0.3 -2,-0.3 5,-0.2 -0.943 43.9 155.8-107.3 122.0 13.2 20.8 15.4 69 72 A R E > - O 0 72B 130 3,-3.0 3,-2.8 -2,-0.6 -2,-0.1 -0.979 61.1 -8.3-149.9 133.2 15.4 23.9 15.5 70 73 A K T 3 S- 0 0 96 -2,-0.3 -1,-0.1 1,-0.3 3,-0.1 0.918 127.6 -54.7 46.4 53.3 15.7 26.9 17.9 71 74 A K T 3 S+ 0 0 194 1,-0.1 -1,-0.3 -3,-0.0 2,-0.3 0.450 121.3 96.1 62.6 6.6 12.5 25.9 19.7 72 75 A K E < S-O 69 0B 150 -3,-2.8 -3,-3.0 99,-0.0 2,-0.7 -0.860 78.4-109.5-129.7 158.9 10.5 25.8 16.4 73 76 A a E -O 68 0B 53 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.793 36.3-163.0 -84.4 109.6 9.3 23.5 13.6 74 77 A D E -O 67 0B 54 -7,-1.9 -7,-2.0 -2,-0.7 2,-0.4 -0.726 2.5-155.1 -93.8 147.7 11.3 24.2 10.3 75 78 A Y E -O 66 0B 141 -2,-0.3 2,-0.5 -9,-0.2 -9,-0.2 -0.985 6.7-169.1-128.9 124.3 10.0 23.0 6.9 76 79 A W E -O 65 0B 146 -11,-2.3 -11,-2.4 -2,-0.4 2,-0.4 -0.968 17.2-170.7-119.2 123.8 12.3 22.4 4.0 77 80 A I E +O 64 0B 94 -2,-0.5 2,-0.3 -13,-0.2 -13,-0.2 -0.940 15.7 142.4-133.3 135.7 10.4 21.9 0.7 78 81 A R E -O 63 0B 19 -15,-1.7 -15,-3.1 -2,-0.4 2,-0.5 -0.977 40.6-110.4-166.8 161.4 11.4 20.8 -2.8 79 82 A T E -O 62 0B 40 13,-0.4 13,-2.3 -2,-0.3 2,-0.6 -0.914 19.8-156.0-107.7 127.2 10.3 18.7 -5.8 80 83 A F E -OP 61 91B 0 -19,-2.6 -19,-2.6 -2,-0.5 11,-0.2 -0.927 13.6-158.8-104.4 123.2 12.1 15.5 -6.9 81 84 A V E - 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