==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 17-JUN-09 3HWD . COMPND 2 MOLECULE: NEUTROPHIL GELATINASE-ASSOCIATED LIPOCALIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.C.CLIFTON . 512 7 3 2 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26836.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 348 68.0 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 . 188 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 . 5 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 61 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 45 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 38 7.4 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 1 0 0 0 0 0 0 1 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 . 0 5 6 3 0 5 0 1 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 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 0 160 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 131.9 26.3 95.7 74.3 2 4 A T + 0 0 140 2,-0.0 2,-0.3 0, 0.0 0, 0.0 -0.997 360.0 160.8-128.9 135.1 26.7 97.7 71.1 3 5 A S - 0 0 68 -2,-0.4 2,-0.4 2,-0.0 0, 0.0 -0.979 28.9-143.7-161.6 136.0 27.8 95.8 68.0 4 6 A D - 0 0 151 -2,-0.3 2,-0.4 2,-0.0 -2,-0.0 -0.852 20.1-177.3-107.7 139.2 27.8 96.1 64.2 5 7 A L - 0 0 60 -2,-0.4 33,-0.1 125,-0.0 3,-0.1 -0.998 31.8-115.2-138.8 138.5 27.2 93.3 61.7 6 8 A I - 0 0 44 -2,-0.4 31,-0.1 31,-0.4 153,-0.0 -0.518 53.4 -99.9 -63.9 134.5 27.2 92.9 58.0 7 9 A P - 0 0 106 0, 0.0 -1,-0.1 0, 0.0 123,-0.1 -0.273 32.7-109.0 -65.7 142.6 23.6 91.9 57.0 8 10 A A - 0 0 21 121,-0.2 3,-0.1 1,-0.1 114,-0.1 -0.482 42.2-115.0 -63.4 136.8 22.8 88.3 56.3 9 11 A P - 0 0 13 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.288 32.5 -92.2 -72.4 160.5 22.2 87.9 52.6 10 12 A P > - 0 0 74 0, 0.0 3,-2.1 0, 0.0 4,-0.2 -0.492 35.0-118.2 -67.7 144.7 18.8 86.9 51.2 11 13 A L G > S+ 0 0 73 1,-0.3 3,-1.8 2,-0.2 -3,-0.0 0.764 110.3 71.7 -55.7 -27.7 18.4 83.1 50.7 12 14 A S G 3 S+ 0 0 112 1,-0.3 -1,-0.3 3,-0.0 0, 0.0 0.780 94.0 54.9 -59.1 -27.9 18.0 83.6 47.0 13 15 A K G < S+ 0 0 119 -3,-2.1 -1,-0.3 1,-0.1 -2,-0.2 0.474 95.5 76.9 -83.9 -4.3 21.7 84.5 46.8 14 16 A V S < S- 0 0 4 -3,-1.8 -1,-0.1 -4,-0.2 106,-0.0 -0.894 78.2-146.4-109.7 101.5 22.6 81.1 48.5 15 17 A P - 0 0 70 0, 0.0 2,-0.4 0, 0.0 -2,-0.1 -0.177 6.2-135.0 -63.2 159.1 22.3 78.2 46.1 16 18 A L - 0 0 50 73,-0.0 93,-0.2 4,-0.0 2,-0.2 -0.977 22.3-113.2-117.3 129.5 21.2 74.7 47.1 17 19 A Q > - 0 0 48 91,-2.8 3,-0.6 -2,-0.4 2,-0.2 -0.402 40.0-122.8 -58.0 124.9 23.0 71.5 46.0 18 20 A Q T 3 S+ 0 0 73 1,-0.2 3,-0.1 -2,-0.2 -1,-0.1 -0.468 83.9 4.7 -78.9 145.1 20.6 69.7 43.7 19 21 A N T 3 S- 0 0 136 1,-0.2 -1,-0.2 -2,-0.2 2,-0.1 0.928 88.1-151.8 47.3 56.0 19.6 66.1 44.5 20 22 A F < - 0 0 16 -3,-0.6 2,-0.8 67,-0.3 -1,-0.2 -0.345 5.5-149.3 -62.0 130.6 21.5 66.1 47.8 21 23 A Q > - 0 0 59 1,-0.2 4,-1.3 -3,-0.1 3,-0.3 -0.859 10.7-171.7-106.2 98.9 22.7 62.6 48.8 22 24 A D T 4 S+ 0 0 49 -2,-0.8 4,-0.5 1,-0.2 3,-0.2 0.862 83.8 54.8 -59.5 -40.0 22.8 62.5 52.6 23 25 A N T >4 S+ 0 0 80 1,-0.2 3,-0.9 2,-0.2 -1,-0.2 0.893 108.7 47.7 -61.9 -40.8 24.6 59.1 52.7 24 26 A Q T 34 S+ 0 0 64 -3,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.745 105.8 59.8 -73.1 -24.0 27.4 60.3 50.5 25 27 A F T 3< S+ 0 0 2 -4,-1.3 -1,-0.2 -3,-0.2 29,-0.2 0.526 84.5 105.6 -82.8 -6.6 27.9 63.5 52.6 26 28 A Q < + 0 0 72 -3,-0.9 29,-0.2 -4,-0.5 2,-0.2 -0.205 54.5 51.3 -66.6 166.2 28.6 61.5 55.8 27 29 A G E S-A 54 0A 26 27,-3.9 27,-2.6 2,-0.0 2,-0.3 -0.471 93.5 -25.5 102.3-172.5 32.1 61.2 57.3 28 30 A K E -A 53 0A 32 25,-0.2 2,-0.4 -2,-0.2 25,-0.2 -0.569 50.6-174.2 -82.8 135.1 34.9 63.6 58.3 29 31 A W E -A 52 0A 0 23,-2.2 23,-2.9 -2,-0.3 2,-0.4 -0.992 17.1-139.0-124.5 137.7 35.3 67.0 56.6 30 32 A Y E -AB 51 137A 3 107,-3.9 107,-3.0 -2,-0.4 2,-1.3 -0.788 17.5-128.8 -91.5 137.0 38.2 69.4 57.2 31 33 A V E + B 0 136A 0 19,-2.6 19,-0.4 -2,-0.4 105,-0.2 -0.704 41.2 160.9 -84.7 91.5 37.4 73.1 57.5 32 34 A V E + 0 0 8 103,-1.8 2,-0.3 -2,-1.3 -1,-0.2 0.629 66.1 29.2 -87.9 -16.8 39.9 74.5 55.0 33 35 A G E - B 0 135A 0 102,-1.2 102,-3.4 133,-0.2 2,-0.4 -0.985 63.7-174.7-147.0 136.3 38.1 77.8 54.6 34 36 A L E +CB 165 134A 11 131,-3.3 131,-3.4 -2,-0.3 2,-0.3 -0.986 9.4 165.7-137.1 123.8 35.9 79.9 57.0 35 37 A A E +CB 164 133A 0 98,-2.7 98,-3.6 -2,-0.4 2,-0.3 -0.980 12.5 129.1-136.3 148.9 34.0 83.1 56.2 36 38 A G E > - B 0 132A 0 127,-1.6 3,-0.9 -2,-0.3 96,-0.2 -0.947 62.2 -97.3 175.3 166.2 31.3 85.0 58.1 37 39 A N T 3 S+ 0 0 6 94,-2.0 -31,-0.4 -2,-0.3 95,-0.1 0.626 125.0 41.1 -77.3 -14.8 30.0 88.3 59.5 38 40 A A T 3 S+ 0 0 66 93,-0.4 2,-0.4 125,-0.1 -1,-0.2 0.190 98.5 97.1-110.7 11.6 31.3 87.5 63.0 39 41 A I < - 0 0 26 -3,-0.9 2,-0.3 124,-0.2 -3,-0.3 -0.855 52.3-177.9-103.5 137.8 34.5 85.9 61.6 40 42 A L - 0 0 99 -2,-0.4 2,-0.5 -5,-0.1 123,-0.2 -0.992 30.7-112.5-140.3 141.9 37.7 88.0 61.6 41 43 A R - 0 0 105 121,-1.9 2,-0.6 -2,-0.3 124,-0.0 -0.619 27.7-168.9 -75.0 122.0 41.3 87.6 60.4 42 44 A E - 0 0 107 -2,-0.5 3,-0.4 1,-0.1 -1,-0.1 -0.832 7.3-178.7-116.9 91.3 43.7 87.5 63.3 43 45 A D S S+ 0 0 90 -2,-0.6 -1,-0.1 1,-0.2 -2,-0.0 0.768 79.9 57.4 -61.8 -30.5 47.2 87.7 61.9 44 46 A K S S+ 0 0 86 1,-0.3 -1,-0.2 0, 0.0 -2,-0.0 0.881 125.3 17.9 -69.3 -40.5 48.9 87.6 65.4 45 47 A D S S- 0 0 109 -3,-0.4 -1,-0.3 3,-0.0 -2,-0.1 -0.663 87.8-153.6-132.5 76.8 47.2 84.3 66.3 46 48 A P - 0 0 73 0, 0.0 2,-0.2 0, 0.0 -3,-0.1 -0.132 29.3 -98.1 -52.6 144.3 46.0 82.6 63.0 47 49 A Q - 0 0 76 1,-0.1 121,-2.0 3,-0.0 2,-0.2 -0.458 36.4-132.3 -68.9 130.2 43.1 80.2 63.3 48 50 A K B -j 168 0B 99 119,-0.2 2,-0.1 -2,-0.2 -1,-0.1 -0.567 29.9 -97.4 -81.9 148.4 44.1 76.6 63.5 49 51 A M - 0 0 2 119,-2.6 2,-0.3 -2,-0.2 20,-0.3 -0.412 42.4-171.7 -69.2 136.5 42.3 74.0 61.3 50 52 A Y - 0 0 42 -19,-0.4 -19,-2.6 -2,-0.1 2,-0.3 -0.859 12.1-133.0-125.6 163.8 39.4 72.0 62.8 51 53 A A E -AD 30 67A 0 16,-2.2 16,-3.0 -2,-0.3 2,-0.4 -0.832 5.9-155.7-119.4 153.1 37.4 69.1 61.6 52 54 A T E -AD 29 66A 3 -23,-2.9 -23,-2.2 -2,-0.3 2,-0.6 -0.990 9.1-154.9-131.8 124.0 33.6 68.3 61.5 53 55 A I E -AD 28 65A 45 12,-3.4 12,-2.4 -2,-0.4 2,-0.4 -0.875 5.9-163.0-103.3 120.1 32.3 64.7 61.4 54 56 A Y E +AD 27 64A 6 -27,-2.6 -27,-3.9 -2,-0.6 2,-0.4 -0.868 11.0 176.9-100.3 132.6 28.9 64.0 59.9 55 57 A E E - D 0 63A 96 8,-0.8 8,-2.4 -2,-0.4 2,-0.2 -0.950 25.1-130.8-140.7 119.5 27.1 60.7 60.6 56 58 A L E - D 0 62A 34 -2,-0.4 6,-0.2 6,-0.2 2,-0.1 -0.470 20.7-153.8 -68.5 128.9 23.6 59.7 59.5 57 59 A K > - 0 0 81 4,-3.0 3,-1.4 -2,-0.2 -1,-0.0 -0.407 33.7 -98.2 -89.0 174.9 21.3 58.3 62.2 58 60 A E T 3 S+ 0 0 98 1,-0.3 -1,-0.1 -2,-0.1 -2,-0.0 0.873 124.0 56.2 -63.1 -39.0 18.4 55.9 61.5 59 61 A D T 3 S- 0 0 105 1,-0.1 -1,-0.3 2,-0.1 3,-0.1 0.294 121.1-109.2 -78.2 10.5 15.9 58.8 61.6 60 62 A K S < S+ 0 0 118 -3,-1.4 2,-0.2 1,-0.3 -2,-0.1 0.640 80.1 122.7 70.1 20.2 17.9 60.5 58.9 61 63 A S - 0 0 9 21,-0.1 -4,-3.0 22,-0.1 2,-0.4 -0.661 60.3-113.7 -98.5 165.0 19.3 63.3 61.1 62 64 A Y E -DE 56 81A 0 19,-2.5 19,-1.8 -2,-0.2 2,-0.8 -0.828 4.1-146.0-102.4 136.2 23.0 64.0 61.5 63 65 A N E -DE 55 80A 47 -8,-2.4 -8,-0.8 -2,-0.4 2,-0.7 -0.914 29.7-162.4 -86.9 106.1 25.1 63.6 64.6 64 66 A V E -DE 54 79A 7 15,-3.0 15,-3.5 -2,-0.8 2,-0.6 -0.846 10.7-176.8-101.0 110.5 27.5 66.5 63.9 65 67 A T E -DE 53 78A 35 -12,-2.4 -12,-3.4 -2,-0.7 2,-0.4 -0.931 6.3-166.0-111.9 116.0 30.7 66.5 65.9 66 68 A S E -DE 52 77A 27 11,-2.7 11,-2.8 -2,-0.6 2,-0.4 -0.829 4.5-165.8 -96.5 138.7 33.2 69.3 65.5 67 69 A V E +DE 51 76A 6 -16,-3.0 -16,-2.2 -2,-0.4 2,-0.3 -0.984 12.1 170.6-129.6 120.6 36.7 68.8 66.9 68 70 A L E - E 0 75A 65 7,-2.1 7,-2.6 -2,-0.4 2,-0.8 -0.892 35.0-120.9-128.5 157.7 39.2 71.6 67.4 69 71 A F E + E 0 74A 45 -2,-0.3 2,-0.4 -20,-0.3 5,-0.2 -0.855 45.0 160.3-102.5 100.1 42.6 72.0 69.1 70 72 A R E > - E 0 73A 149 3,-2.0 3,-2.0 -2,-0.8 -2,-0.0 -0.973 60.0 -7.9-125.6 136.0 42.3 74.7 71.8 71 73 A K T 3 S- 0 0 96 -2,-0.4 -1,-0.2 1,-0.3 3,-0.1 0.878 125.6 -55.7 49.7 49.3 44.5 75.4 74.9 72 74 A K T 3 S+ 0 0 114 1,-0.2 2,-0.3 -3,-0.1 -1,-0.3 0.593 122.5 90.5 61.3 15.3 46.7 72.3 74.4 73 75 A K E < S-E 70 0A 155 -3,-2.0 -3,-2.0 99,-0.0 2,-0.7 -0.919 80.8-108.8-135.9 161.2 43.6 70.0 74.5 74 76 A a E -E 69 0A 52 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.829 32.7-159.3 -92.6 115.0 41.0 68.5 72.0 75 77 A D E -E 68 0A 48 -7,-2.6 -7,-2.1 -2,-0.7 2,-0.5 -0.791 3.2-158.6 -94.8 136.9 37.6 70.2 72.4 76 78 A Y E -E 67 0A 160 -2,-0.4 2,-0.6 -9,-0.2 -9,-0.2 -0.970 8.1-170.2-120.3 126.5 34.6 68.3 71.1 77 79 A W E -E 66 0A 48 -11,-2.8 -11,-2.7 -2,-0.5 2,-0.6 -0.936 8.4-164.7-117.5 106.6 31.3 69.9 70.2 78 80 A I E +E 65 0A 72 -2,-0.6 2,-0.3 -13,-0.2 -13,-0.2 -0.823 17.9 164.4 -95.2 120.5 28.4 67.5 69.5 79 81 A R E -E 64 0A 32 -15,-3.5 -15,-3.0 -2,-0.6 2,-0.4 -0.827 29.9-128.7-128.9 168.3 25.4 68.9 67.7 80 82 A T E -E 63 0A 23 13,-0.4 13,-3.5 -2,-0.3 2,-0.6 -0.981 10.7-160.5-124.4 123.3 22.3 67.5 65.9 81 83 A F E -EF 62 92A 7 -19,-1.8 -19,-2.5 -2,-0.4 11,-0.2 -0.910 10.7-160.0-103.2 113.4 21.2 68.6 62.4 82 84 A V E - 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H 0 123A 59 -2,-0.3 -12,-0.6 19,-0.2 2,-0.4 -0.868 6.1-178.3-160.9 125.3 19.5 78.2 63.0 105 107 A L E -GH 91 122A 26 17,-3.5 17,-2.5 -2,-0.3 2,-0.4 -0.989 5.6-170.5-131.6 132.9 19.7 77.2 59.3 106 108 A V E +GH 90 121A 1 -16,-2.8 -16,-2.5 -2,-0.4 2,-0.3 -0.972 7.0 179.1-118.8 136.9 22.1 75.0 57.4 107 109 A R E -GH 89 120A 20 13,-2.6 13,-3.4 -2,-0.4 2,-0.8 -0.923 25.1-139.9-141.3 117.4 22.2 74.8 53.6 108 110 A V E - H 0 119A 2 -20,-2.8 -91,-2.8 -2,-0.3 11,-0.3 -0.634 22.2-175.9 -72.8 108.3 24.6 72.7 51.6 109 111 A V E - 0 0 10 9,-2.2 2,-0.3 -2,-0.8 -1,-0.2 0.974 60.9 -16.9 -74.3 -57.4 25.5 75.0 48.7 110 112 A S E + H 0 118A 38 8,-1.3 8,-2.8 -93,-0.1 -1,-0.3 -0.989 65.1 160.5-152.1 143.5 27.6 72.7 46.6 111 113 A T E - H 0 117A 11 -2,-0.3 6,-0.2 6,-0.3 -86,-0.0 -0.973 32.5-160.6-160.0 148.4 29.5 69.5 47.0 112 114 A N - 0 0 54 4,-1.7 2,-1.9 -2,-0.3 5,-0.1 0.237 42.8-136.1-108.0 5.9 31.1 66.6 45.0 113 115 A Y S S+ 0 0 22 3,-0.7 254,-0.1 1,-0.2 4,-0.1 -0.114 91.2 57.1 73.5 -40.3 31.1 64.4 48.1 114 116 A N S S+ 0 0 10 -2,-1.9 -1,-0.2 341,-0.1 250,-0.1 0.600 121.8 12.3 -99.8 -10.6 34.6 62.9 47.7 115 117 A Q S S+ 0 0 32 1,-0.4 23,-3.1 23,-0.1 24,-0.4 0.669 117.6 3.2-127.3 -58.8 36.7 66.1 47.6 116 118 A H E - 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