==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-OCT-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ANTIMICROBIAL PROTEIN 25-OCT-10 3PED . COMPND 2 MOLECULE: NEUTROPHIL GELATINASE-ASSOCIATED LIPOCALIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.C.CLIFTON . 521 4 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27052.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 353 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 36.5 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 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 52 10.0 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 . 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 2 A D 0 0 221 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 129.4 24.5 94.0 77.7 2 3 A S - 0 0 98 2,-0.0 2,-0.4 0, 0.0 0, 0.0 -0.985 360.0-140.8-167.3 165.9 26.3 94.5 74.4 3 4 A T + 0 0 142 -2,-0.3 2,-0.3 2,-0.0 0, 0.0 -0.994 28.7 166.1-133.4 135.0 26.6 96.3 71.1 4 5 A S - 0 0 65 -2,-0.4 2,-0.4 2,-0.0 -2,-0.0 -0.995 24.9-149.6-154.6 151.7 27.5 94.7 67.8 5 6 A D - 0 0 120 -2,-0.3 2,-0.4 2,-0.0 -2,-0.0 -0.986 21.0-177.5-125.6 125.0 27.5 95.2 64.0 6 7 A L - 0 0 61 -2,-0.4 33,-0.1 33,-0.0 3,-0.1 -0.944 33.7-114.1-127.4 143.7 27.1 92.4 61.5 7 8 A I - 0 0 45 -2,-0.4 31,-0.1 31,-0.3 153,-0.1 -0.558 54.8-105.0 -64.9 133.2 27.1 92.0 57.7 8 9 A P - 0 0 102 0, 0.0 -1,-0.1 0, 0.0 123,-0.1 -0.329 29.9-102.9 -70.1 150.7 23.5 91.0 57.0 9 10 A A - 0 0 18 121,-0.1 3,-0.1 1,-0.1 114,-0.1 -0.434 42.5-116.0 -62.9 138.2 22.6 87.4 56.1 10 11 A P - 0 0 13 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.385 35.8 -92.1 -72.6 158.5 22.0 87.1 52.3 11 12 A P > - 0 0 74 0, 0.0 3,-2.4 0, 0.0 4,-0.1 -0.486 35.9-116.4 -66.8 146.8 18.5 86.2 51.1 12 13 A L G > S+ 0 0 72 1,-0.3 3,-1.3 2,-0.2 -3,-0.0 0.650 110.4 73.8 -59.0 -16.2 18.2 82.4 50.7 13 14 A S G 3 S+ 0 0 112 1,-0.3 -1,-0.3 3,-0.0 0, 0.0 0.632 92.1 55.3 -72.5 -15.9 17.6 83.0 46.9 14 15 A K G < S+ 0 0 119 -3,-2.4 -1,-0.3 1,-0.1 -2,-0.2 0.306 94.4 80.2 -94.4 6.5 21.4 83.8 46.6 15 16 A V S < S- 0 0 3 -3,-1.3 -1,-0.1 -4,-0.1 106,-0.0 -0.900 74.8-147.2-120.1 99.3 22.3 80.4 48.2 16 17 A P - 0 0 73 0, 0.0 2,-0.4 0, 0.0 -2,-0.1 -0.216 7.5-134.7 -64.9 159.8 22.1 77.5 45.8 17 18 A L - 0 0 24 73,-0.0 93,-0.3 4,-0.0 2,-0.2 -0.965 24.8-110.0-113.3 129.8 21.1 74.0 46.9 18 19 A Q > - 0 0 44 91,-3.0 3,-0.5 -2,-0.4 93,-0.1 -0.408 40.0-126.9 -57.6 120.1 23.0 70.9 45.7 19 20 A Q T 3 S+ 0 0 118 -2,-0.2 -1,-0.1 1,-0.2 70,-0.0 -0.350 84.9 11.3 -69.1 150.1 20.7 69.1 43.3 20 21 A N T 3 S- 0 0 133 1,-0.2 -1,-0.2 68,-0.1 2,-0.2 0.904 87.6-154.9 50.4 52.8 19.9 65.4 43.9 21 22 A F < - 0 0 18 -3,-0.5 2,-0.7 67,-0.3 -1,-0.2 -0.437 6.2-154.2 -65.9 129.8 21.5 65.4 47.4 22 23 A Q > - 0 0 82 -2,-0.2 4,-0.8 1,-0.1 3,-0.3 -0.869 8.2-171.1-108.8 101.1 22.7 62.0 48.5 23 24 A D H > S+ 0 0 42 -2,-0.7 4,-0.6 1,-0.2 3,-0.3 0.813 84.1 53.8 -65.3 -32.9 22.6 61.9 52.4 24 25 A N H >4 S+ 0 0 86 1,-0.2 3,-0.6 2,-0.2 -1,-0.2 0.881 108.9 49.3 -68.0 -38.1 24.5 58.5 52.6 25 26 A Q H 34 S+ 0 0 72 -3,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.615 103.6 60.1 -75.7 -15.5 27.3 59.8 50.4 26 27 A F H 3< S+ 0 0 2 -4,-0.8 -1,-0.2 -3,-0.3 29,-0.2 0.621 85.1 108.1 -89.0 -13.5 27.8 63.0 52.5 27 28 A Q << + 0 0 67 -3,-0.6 29,-0.2 -4,-0.6 2,-0.2 -0.042 54.0 44.4 -55.8 163.3 28.5 61.0 55.6 28 29 A G E S-A 55 0A 27 27,-3.0 27,-2.6 2,-0.0 2,-0.3 -0.523 94.5 -21.5 100.0-164.1 32.0 60.7 57.2 29 30 A K E -A 54 0A 24 25,-0.2 2,-0.4 -2,-0.2 25,-0.2 -0.627 48.7-176.5 -90.1 136.2 34.7 63.2 58.0 30 31 A W E -A 53 0A 0 23,-1.9 23,-2.6 -2,-0.3 2,-0.3 -0.999 17.7-140.8-126.6 134.4 35.2 66.5 56.4 31 32 A Y E -AB 52 138A 3 107,-3.5 107,-2.9 -2,-0.4 2,-1.2 -0.723 21.2-123.4 -85.6 144.2 38.1 68.9 57.0 32 33 A V E + B 0 137A 0 19,-2.4 19,-0.3 -2,-0.3 105,-0.2 -0.749 40.6 164.7 -89.4 94.2 37.3 72.6 57.2 33 34 A V E + 0 0 9 103,-1.9 2,-0.3 -2,-1.2 -1,-0.2 0.772 67.4 24.2 -81.6 -29.9 39.7 73.9 54.5 34 35 A G E - B 0 136A 0 102,-1.6 102,-2.8 133,-0.2 2,-0.4 -0.994 64.8-170.0-140.8 146.1 37.9 77.3 54.2 35 36 A L E +CB 166 135A 8 131,-3.2 131,-3.9 -2,-0.3 2,-0.3 -0.993 11.8 163.9-141.3 127.0 35.8 79.3 56.6 36 37 A A E +CB 165 134A 0 98,-2.2 98,-3.0 -2,-0.4 2,-0.3 -0.997 13.3 117.1-143.9 147.4 33.7 82.5 55.9 37 38 A G E > - B 0 133A 0 127,-1.5 3,-1.2 -2,-0.3 96,-0.2 -0.937 68.0 -82.7 169.4 173.4 30.9 84.4 57.7 38 39 A N T 3 S+ 0 0 7 94,-1.4 -31,-0.3 1,-0.3 95,-0.1 0.678 128.7 39.0 -74.3 -15.5 29.7 87.6 59.4 39 40 A A T 3 S+ 0 0 67 93,-0.6 2,-0.5 125,-0.1 -1,-0.3 0.219 95.0 101.1-111.8 9.6 31.3 86.6 62.7 40 41 A I < + 0 0 34 -3,-1.2 2,-0.4 124,-0.2 -3,-0.3 -0.855 50.1 179.7 -91.5 127.0 34.5 85.1 61.1 41 42 A L - 0 0 114 -2,-0.5 123,-0.2 123,-0.1 2,-0.1 -0.994 29.3-120.6-130.7 128.8 37.5 87.4 61.3 42 43 A R - 0 0 55 121,-2.2 2,-0.4 -2,-0.4 124,-0.1 -0.414 24.3-167.5 -59.9 134.9 41.0 86.8 60.0 43 44 A E - 0 0 54 1,-0.1 3,-0.2 -2,-0.1 -1,-0.1 -0.820 8.8-177.2-130.0 91.2 43.6 86.9 62.8 44 45 A D S S+ 0 0 103 -2,-0.4 -1,-0.1 1,-0.2 -2,-0.0 0.797 83.4 54.5 -56.0 -34.0 47.1 87.1 61.3 45 46 A K S S+ 0 0 105 1,-0.3 -1,-0.2 0, 0.0 -2,-0.0 0.893 127.0 16.2 -70.1 -44.1 48.7 87.1 64.8 46 47 A D S S- 0 0 101 -3,-0.2 -1,-0.3 3,-0.0 -2,-0.1 -0.652 89.8-156.9-129.9 74.9 46.9 83.9 66.0 47 48 A P - 0 0 75 0, 0.0 2,-0.1 0, 0.0 -3,-0.1 -0.125 26.3 -95.5 -63.4 149.3 45.6 82.2 62.8 48 49 A Q - 0 0 85 1,-0.1 121,-2.3 120,-0.0 2,-0.2 -0.382 36.7-134.8 -60.8 129.1 42.7 79.7 62.9 49 50 A K B -j 169 0B 97 119,-0.2 -1,-0.1 21,-0.1 122,-0.0 -0.619 28.7 -99.5 -81.2 147.8 43.7 76.0 63.1 50 51 A M - 0 0 2 119,-2.7 20,-0.4 -2,-0.2 2,-0.3 -0.335 43.0-174.1 -61.0 143.3 42.0 73.5 60.9 51 52 A Y - 0 0 24 -19,-0.3 -19,-2.4 18,-0.1 2,-0.3 -0.860 14.0-129.5-132.0 172.2 39.2 71.4 62.5 52 53 A A E -AD 31 68A 0 16,-2.1 16,-2.8 -2,-0.3 2,-0.4 -0.930 7.3-157.2-129.4 150.8 37.1 68.5 61.3 53 54 A T E -AD 30 67A 5 -23,-2.6 -23,-1.9 -2,-0.3 2,-0.5 -0.994 10.1-156.0-130.1 123.5 33.4 67.8 61.3 54 55 A I E -AD 29 66A 46 12,-3.2 12,-2.1 -2,-0.4 2,-0.6 -0.880 2.1-159.7-106.7 129.5 32.0 64.2 61.1 55 56 A Y E +AD 28 65A 5 -27,-2.6 -27,-3.0 -2,-0.5 2,-0.5 -0.935 11.5 179.5-109.6 112.9 28.5 63.4 59.7 56 57 A E E - D 0 64A 90 8,-2.4 8,-3.4 -2,-0.6 2,-0.4 -0.965 23.6-135.2-117.4 124.8 27.0 60.1 60.7 57 58 A L E - D 0 63A 33 -2,-0.5 6,-0.2 6,-0.2 2,-0.1 -0.606 20.9-149.3 -76.4 123.7 23.5 59.1 59.5 58 59 A K > - 0 0 92 4,-3.2 3,-1.4 -2,-0.4 -1,-0.0 -0.273 33.3 -95.8 -81.1 178.6 21.4 57.7 62.3 59 60 A E T 3 S+ 0 0 110 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.882 127.3 55.3 -65.7 -36.3 18.6 55.0 61.7 60 61 A D T 3 S- 0 0 108 2,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.355 119.4-112.5 -76.2 4.4 16.0 57.8 61.5 61 62 A K S < S+ 0 0 111 -3,-1.4 2,-0.2 1,-0.3 -2,-0.1 0.473 79.1 123.9 74.4 5.9 18.1 59.5 58.7 62 63 A S - 0 0 8 21,-0.1 -4,-3.2 22,-0.1 2,-0.4 -0.591 63.6-113.5 -78.9 157.1 19.0 62.5 60.8 63 64 A Y E -DE 57 82A 0 19,-2.3 19,-2.2 -6,-0.2 2,-0.6 -0.803 9.1-144.9 -95.3 135.0 22.8 63.2 61.2 64 65 A N E -DE 56 81A 30 -8,-3.4 -8,-2.4 -2,-0.4 2,-0.5 -0.885 28.7-159.0 -83.2 123.9 24.8 62.9 64.4 65 66 A V E +DE 55 80A 7 15,-3.2 15,-2.9 -2,-0.6 2,-0.5 -0.945 14.9 179.4-119.7 119.5 27.3 65.8 63.9 66 67 A T E -DE 54 79A 39 -12,-2.1 -12,-3.2 -2,-0.5 2,-0.4 -0.975 7.3-166.1-121.5 123.5 30.6 65.9 65.8 67 68 A S E -DE 53 78A 24 11,-2.8 11,-2.1 -2,-0.5 2,-0.4 -0.856 5.6-161.7-106.2 142.3 33.2 68.6 65.4 68 69 A V E +DE 52 77A 6 -16,-2.8 -16,-2.1 -2,-0.4 2,-0.3 -0.995 11.6 174.2-130.5 130.6 36.7 68.2 66.7 69 70 A L E - E 0 76A 43 7,-1.7 7,-2.6 -2,-0.4 2,-0.6 -0.960 31.0-125.1-131.0 147.9 39.2 71.0 67.4 70 71 A F E + E 0 75A 47 -20,-0.4 2,-0.3 -2,-0.3 5,-0.2 -0.840 46.2 152.5 -94.4 121.0 42.7 71.2 68.9 71 72 A R E > - E 0 74A 99 3,-3.0 3,-1.2 -2,-0.6 -2,-0.1 -0.939 59.4 -0.6-156.5 129.5 42.7 73.8 71.8 72 73 A K T 3 S- 0 0 131 -2,-0.3 -1,-0.1 1,-0.2 3,-0.1 0.932 128.0 -57.9 57.7 45.2 44.6 74.3 75.0 73 74 A K T 3 S+ 0 0 113 1,-0.2 2,-0.3 -3,-0.0 -1,-0.2 0.589 122.1 94.3 61.3 16.0 46.6 71.1 74.2 74 75 A K E < S-E 71 0A 151 -3,-1.2 -3,-3.0 99,-0.1 2,-0.6 -0.876 78.3-112.5-133.5 162.6 43.4 69.1 74.1 75 76 A a E -E 70 0A 51 -2,-0.3 2,-0.5 -5,-0.2 -5,-0.2 -0.882 31.5-160.3 -94.8 118.6 40.8 67.8 71.7 76 77 A D E -E 69 0A 51 -7,-2.6 -7,-1.7 -2,-0.6 2,-0.4 -0.893 4.1-155.5-102.0 132.2 37.4 69.5 72.3 77 78 A Y E -E 68 0A 149 -2,-0.5 2,-0.4 -9,-0.2 -9,-0.2 -0.894 8.8-170.4-112.9 130.9 34.3 67.8 70.9 78 79 A W E -E 67 0A 144 -11,-2.1 -11,-2.8 -2,-0.4 2,-0.4 -0.988 9.4-165.3-118.9 126.2 31.1 69.5 70.0 79 80 A I E +E 66 0A 103 -2,-0.4 2,-0.3 -13,-0.2 -13,-0.2 -0.931 15.4 157.5-117.4 132.9 28.0 67.4 69.2 80 81 A R E -E 65 0A 75 -15,-2.9 -15,-3.2 -2,-0.4 2,-0.5 -0.935 33.9-122.3-141.4 165.8 24.8 68.4 67.5 81 82 A T E -E 64 0A 37 13,-0.5 13,-2.6 -2,-0.3 2,-0.6 -0.960 15.1-153.5-112.4 127.7 21.9 66.8 65.6 82 83 A F E -EF 63 93A 6 -19,-2.2 -19,-2.3 -2,-0.5 11,-0.2 -0.914 12.3-158.9 -99.6 117.0 21.0 67.9 62.0 83 84 A V E - 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