==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-APR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTEIN BINDING 07-AUG-12 4GH7 . COMPND 2 MOLECULE: NEUTROPHIL GELATINASE-ASSOCIATED LIPOCALIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.SCHIEFNER,M.GEBAUER,A.SKERRA . 901 4 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 45654.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 569 63.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 351 39.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 16 1.8 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 . 99 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 58 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 31 3.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 0.7 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 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 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 9 4 9 5 12 1 6 5 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 6 1 5 0 0 0 0 2 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 5 A S 0 0 128 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -50.9 2.5 -51.0 -39.5 2 6 A D - 0 0 123 1,-0.1 35,-0.5 34,-0.0 2,-0.4 -0.309 360.0-145.4 -71.6 145.6 4.6 -47.8 -39.7 3 7 A L - 0 0 34 33,-0.1 33,-0.1 -2,-0.1 -1,-0.1 -0.919 13.9-130.1-122.7 133.0 7.1 -46.9 -36.9 4 8 A I - 0 0 43 31,-1.1 31,-0.1 -2,-0.4 153,-0.1 -0.662 49.7-104.3 -69.2 126.8 8.3 -43.7 -35.3 5 9 A P - 0 0 107 0, 0.0 -1,-0.1 0, 0.0 123,-0.0 -0.184 38.2 -99.7 -54.9 147.8 12.1 -44.1 -35.3 6 10 A A - 0 0 22 1,-0.1 3,-0.1 -3,-0.1 150,-0.1 -0.453 40.2-112.6 -66.4 141.3 13.8 -45.0 -32.0 7 11 A P - 0 0 11 0, 0.0 -1,-0.1 0, 0.0 148,-0.1 -0.391 36.4 -98.3 -68.2 153.4 15.3 -42.0 -30.2 8 12 A P > - 0 0 89 0, 0.0 3,-2.0 0, 0.0 4,-0.2 -0.397 34.5-114.1 -67.2 155.7 19.1 -42.0 -29.8 9 13 A L G > S+ 0 0 23 1,-0.3 3,-1.8 2,-0.2 526,-0.0 0.738 111.6 75.6 -72.9 -20.2 20.2 -43.2 -26.5 10 14 A S G 3 S+ 0 0 116 1,-0.2 -1,-0.3 3,-0.0 0, 0.0 0.686 94.0 56.8 -49.8 -23.1 21.6 -39.8 -25.5 11 15 A K G < S+ 0 0 109 -3,-2.0 -1,-0.2 1,-0.1 -2,-0.2 0.531 95.1 70.7 -92.0 -7.0 17.8 -39.0 -25.1 12 16 A V S < S- 0 0 2 -3,-1.8 -1,-0.1 -4,-0.2 106,-0.0 -0.908 74.2-151.5-116.2 104.3 17.1 -41.8 -22.5 13 17 A P - 0 0 71 0, 0.0 2,-0.4 0, 0.0 -2,-0.1 -0.235 7.5-132.5 -73.3 166.5 18.7 -41.2 -19.1 14 18 A L - 0 0 37 73,-0.0 93,-0.2 4,-0.0 94,-0.1 -0.984 26.3-109.7-121.6 125.0 19.7 -43.9 -16.7 15 19 A Q > - 0 0 44 91,-2.7 3,-0.5 -2,-0.4 93,-0.1 -0.319 42.6-120.8 -50.9 123.5 18.8 -43.9 -13.0 16 20 A Q T 3 S+ 0 0 164 1,-0.2 -1,-0.1 91,-0.1 70,-0.0 -0.401 86.1 5.9 -73.3 151.1 22.0 -43.1 -11.2 17 21 A N T 3 S- 0 0 138 1,-0.1 -1,-0.2 -2,-0.1 2,-0.1 0.899 86.9-154.9 38.4 64.0 23.2 -45.7 -8.6 18 22 A F < - 0 0 13 -3,-0.5 2,-0.7 67,-0.2 -1,-0.1 -0.436 5.6-149.1 -68.2 135.6 20.5 -48.2 -9.4 19 23 A Q >> - 0 0 68 1,-0.2 3,-1.9 -2,-0.1 4,-1.2 -0.877 8.9-169.3-111.0 97.4 19.7 -50.5 -6.5 20 24 A D H 3> S+ 0 0 45 -2,-0.7 4,-1.0 1,-0.3 3,-0.4 0.854 86.4 56.6 -55.3 -36.6 18.6 -53.9 -8.0 21 25 A N H 34 S+ 0 0 98 1,-0.2 -1,-0.3 2,-0.2 33,-0.1 0.594 109.2 45.9 -73.6 -9.7 17.4 -55.1 -4.5 22 26 A Q H <4 S+ 0 0 104 -3,-1.9 -1,-0.2 1,-0.1 -2,-0.2 0.584 105.4 57.6-104.9 -17.0 15.1 -52.1 -4.1 23 27 A F H < S+ 0 0 2 -4,-1.2 29,-0.2 -3,-0.4 -2,-0.2 0.685 87.0 115.2 -82.5 -22.1 13.6 -52.2 -7.6 24 28 A H < + 0 0 92 -4,-1.0 29,-0.2 -5,-0.2 2,-0.1 0.029 55.4 32.6 -38.3 145.0 12.5 -55.8 -6.7 25 29 A G E S-A 52 0A 16 27,-1.9 27,-2.1 2,-0.0 2,-0.2 -0.436 95.1 -12.5 104.3-168.7 8.8 -56.7 -6.4 26 30 A K E -A 51 0A 66 25,-0.2 2,-0.4 -2,-0.1 25,-0.2 -0.451 48.4-177.8 -75.5 138.2 5.5 -55.8 -8.0 27 31 A W E -A 50 0A 0 23,-1.5 23,-2.8 -2,-0.2 2,-0.3 -0.996 18.3-139.7-132.4 131.6 5.0 -52.8 -10.2 28 32 A Y E -AB 49 135A 24 107,-3.2 107,-1.9 -2,-0.4 2,-1.1 -0.656 20.3-121.0 -87.2 145.1 1.6 -51.8 -11.6 29 33 A V E + B 0 134A 6 19,-3.0 19,-0.5 -2,-0.3 105,-0.2 -0.757 43.2 161.3 -88.4 98.4 1.4 -50.5 -15.2 30 34 A V E + 0 0 6 103,-1.9 2,-0.3 -2,-1.1 -1,-0.2 0.776 66.6 11.2 -89.3 -32.7 -0.1 -47.0 -14.7 31 35 A G E - B 0 133A 0 102,-1.8 102,-2.6 133,-0.2 2,-0.3 -0.995 61.8-177.8-147.7 149.4 1.0 -45.6 -18.1 32 36 A K E -CB 163 132A 65 131,-2.9 131,-3.0 -2,-0.3 2,-0.3 -0.991 2.5-177.9-149.0 141.1 2.4 -46.9 -21.4 33 37 A A E +CB 162 131A 2 98,-1.9 98,-2.4 -2,-0.3 2,-0.3 -0.998 10.6 176.4-139.2 136.7 3.6 -45.4 -24.7 34 38 A G E - B 0 130A 4 127,-1.2 96,-0.2 -2,-0.3 4,-0.1 -0.879 39.0-122.5-136.8 167.5 4.9 -47.2 -27.8 35 39 A N S S+ 0 0 0 94,-1.5 -31,-1.1 -2,-0.3 2,-0.3 0.425 82.8 95.1 -90.5 1.3 6.0 -46.5 -31.4 36 40 A H S S- 0 0 53 93,-0.2 -2,-0.2 -33,-0.1 -33,-0.1 -0.744 87.8 -97.4 -95.8 141.0 3.4 -48.8 -32.9 37 41 A D - 0 0 95 -35,-0.5 2,-0.6 -2,-0.3 -1,-0.1 -0.260 39.8-132.7 -53.3 133.8 0.0 -47.6 -34.3 38 42 A L - 0 0 45 122,-0.1 2,-0.5 -4,-0.1 -1,-0.1 -0.848 11.6-154.5-101.3 119.0 -2.7 -48.2 -31.7 39 43 A R - 0 0 119 -2,-0.6 2,-0.6 2,-0.0 398,-0.0 -0.813 13.7-140.9 -88.3 127.7 -5.9 -49.8 -32.7 40 44 A E - 0 0 178 -2,-0.5 -2,-0.0 1,-0.1 0, 0.0 -0.832 8.7-163.0 -93.4 118.5 -8.8 -48.9 -30.5 41 45 A D - 0 0 53 -2,-0.6 -1,-0.1 2,-0.5 396,-0.0 0.435 55.3 -95.8 -78.5 0.7 -11.1 -51.9 -29.9 42 46 A K S S+ 0 0 194 1,-0.3 -1,-0.1 0, 0.0 -2,-0.1 0.579 103.7 99.0 78.7 19.2 -14.0 -49.6 -28.7 43 47 A D S S- 0 0 103 3,-0.0 -2,-0.5 0, 0.0 -1,-0.3 -0.994 75.5-125.4-135.7 139.2 -12.6 -50.5 -25.2 44 48 A P - 0 0 99 0, 0.0 2,-0.2 0, 0.0 119,-0.0 -0.527 44.2 -98.8 -74.2 154.9 -10.3 -48.7 -22.8 45 49 A R - 0 0 108 -2,-0.2 121,-3.3 119,-0.1 2,-0.3 -0.548 31.4-128.6 -82.6 140.7 -7.2 -50.8 -21.7 46 50 A K B -j 166 0B 104 119,-0.2 21,-0.1 -2,-0.2 -1,-0.1 -0.622 30.3-100.8 -87.8 145.8 -7.1 -52.7 -18.5 47 51 A M - 0 0 3 119,-2.7 20,-0.3 -2,-0.3 2,-0.3 -0.286 37.3-163.1 -66.0 145.3 -4.2 -52.3 -16.0 48 52 A Q - 0 0 44 -19,-0.5 -19,-3.0 18,-0.1 2,-0.3 -0.782 8.4-137.1-120.4 169.2 -1.5 -54.9 -15.8 49 53 A A E -AD 28 65A 0 16,-1.7 16,-3.1 -2,-0.3 2,-0.4 -0.945 7.6-161.4-125.8 150.8 1.2 -55.8 -13.3 50 54 A T E -AD 27 64A 6 -23,-2.8 -23,-1.5 -2,-0.3 2,-0.6 -0.982 7.5-156.8-134.2 122.7 4.9 -56.7 -13.8 51 55 A I E -AD 26 63A 45 12,-2.5 12,-2.2 -2,-0.4 2,-0.8 -0.877 0.3-160.7-106.2 119.1 6.9 -58.5 -11.1 52 56 A Y E -AD 25 62A 5 -27,-2.1 -27,-1.9 -2,-0.6 2,-0.6 -0.813 9.3-169.6-100.4 97.0 10.8 -58.2 -11.0 53 57 A E E - D 0 61A 83 8,-2.1 8,-2.9 -2,-0.8 2,-0.3 -0.771 14.8-141.2 -87.1 120.4 12.3 -61.1 -8.9 54 58 A L E - D 0 60A 36 -2,-0.6 6,-0.2 6,-0.2 2,-0.2 -0.629 20.0-157.7 -81.3 135.5 16.0 -60.6 -8.2 55 59 A K > - 0 0 85 4,-2.3 3,-1.8 -2,-0.3 -1,-0.0 -0.595 31.3-101.1-110.0 170.5 18.1 -63.8 -8.4 56 60 A E T 3 S+ 0 0 184 1,-0.3 -1,-0.0 -2,-0.2 -2,-0.0 0.780 122.2 54.8 -62.4 -30.8 21.5 -64.9 -6.9 57 61 A D T 3 S- 0 0 109 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.228 121.1-110.3 -85.9 14.2 23.3 -64.3 -10.2 58 62 A K S < S+ 0 0 107 -3,-1.8 2,-0.2 1,-0.2 -2,-0.1 0.656 78.7 127.5 65.3 20.5 21.9 -60.7 -10.1 59 63 A S - 0 0 11 21,-0.1 -4,-2.3 22,-0.0 2,-0.5 -0.663 57.3-117.5 -98.6 161.0 19.5 -61.4 -13.0 60 64 A Y E -DE 54 79A 0 19,-2.8 19,-2.4 -2,-0.2 2,-0.9 -0.869 5.8-150.8-105.3 132.5 15.8 -60.6 -12.9 61 65 A N E -DE 53 78A 43 -8,-2.9 -8,-2.1 -2,-0.5 2,-0.5 -0.858 28.2-163.4 -92.4 98.3 12.9 -63.1 -13.3 62 66 A V E -DE 52 77A 2 15,-2.0 15,-2.1 -2,-0.9 2,-0.5 -0.753 10.1-173.4 -92.8 122.6 10.3 -60.8 -14.9 63 67 A T E -DE 51 76A 22 -12,-2.2 -12,-2.5 -2,-0.5 2,-0.4 -0.944 8.1-159.5-120.7 113.7 6.7 -61.9 -14.9 64 68 A N E -DE 50 75A 8 11,-2.5 11,-1.8 -2,-0.5 2,-0.4 -0.752 11.4-159.1 -87.7 133.6 4.0 -59.8 -16.7 65 69 A V E +DE 49 74A 7 -16,-3.1 -16,-1.7 -2,-0.4 2,-0.3 -0.958 13.4 175.9-121.9 130.2 0.4 -60.5 -15.5 66 70 A R E - E 0 73A 29 7,-1.9 7,-2.5 -2,-0.4 2,-0.8 -0.974 32.6-142.6-137.9 147.4 -2.8 -59.7 -17.5 67 71 A F E + E 0 72A 45 -2,-0.3 2,-0.4 -20,-0.3 5,-0.2 -0.866 46.2 151.8-105.1 93.9 -6.5 -60.1 -17.4 68 72 A V E > - E 0 71A 41 3,-1.4 3,-1.6 -2,-0.8 -2,-0.1 -0.982 61.1 -1.0-130.9 138.0 -7.3 -60.9 -21.0 69 73 A H T 3 S- 0 0 10 -2,-0.4 -1,-0.1 1,-0.2 3,-0.1 0.857 126.3 -61.6 50.4 41.3 -10.2 -62.9 -22.5 70 74 A K T 3 S+ 0 0 113 1,-0.2 2,-0.3 -3,-0.1 -1,-0.2 0.540 118.4 90.5 68.4 11.7 -11.6 -63.6 -19.0 71 75 A K E < S-E 68 0A 110 -3,-1.6 -3,-1.4 99,-0.0 2,-0.5 -0.816 81.4-104.0-126.1 167.5 -8.5 -65.5 -17.8 72 76 A a E -E 67 0A 58 -2,-0.3 2,-0.5 -5,-0.2 -5,-0.2 -0.845 36.1-165.0 -89.5 129.4 -5.2 -64.7 -16.1 73 77 A N E -E 66 0A 27 -7,-2.5 -7,-1.9 -2,-0.5 2,-0.4 -0.976 2.8-167.2-119.5 124.3 -2.3 -64.8 -18.6 74 78 A Y E -E 65 0A 134 -2,-0.5 2,-0.4 -9,-0.2 -9,-0.2 -0.868 5.7-174.8-111.5 142.9 1.3 -64.9 -17.4 75 79 A R E -E 64 0A 30 -11,-1.8 -11,-2.5 -2,-0.4 2,-0.4 -0.998 8.9-159.0-136.1 133.9 4.5 -64.3 -19.5 76 80 A I E +E 63 0A 101 -2,-0.4 2,-0.3 238,-0.3 -13,-0.2 -0.896 11.7 173.7-118.8 139.9 8.1 -64.7 -18.2 77 81 A W E -E 62 0A 26 -15,-2.1 -15,-2.0 -2,-0.4 2,-0.6 -0.963 27.7-129.4-134.7 156.7 11.4 -63.4 -19.4 78 82 A T E -E 61 0A 60 -2,-0.3 13,-2.3 13,-0.2 2,-0.5 -0.948 22.1-165.6-106.8 117.0 15.0 -63.5 -18.1 79 83 A F E -EF 60 90A 3 -19,-2.4 -19,-2.8 -2,-0.6 11,-0.2 -0.902 4.9-164.0-103.3 122.9 16.7 -60.0 -17.9 80 84 A V E - 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H 0 120A 10 17,-3.4 17,-2.8 -2,-0.3 2,-0.4 -0.992 9.4-174.0-130.9 131.0 17.4 -53.3 -24.2 104 108 A V E +GH 88 119A 2 -16,-3.0 -16,-2.7 -2,-0.4 2,-0.4 -0.989 9.6 178.4-120.0 133.6 15.8 -52.4 -20.9 105 109 A R E -GH 87 118A 9 13,-2.4 13,-2.7 -2,-0.4 2,-0.9 -0.964 27.3-137.3-138.8 120.2 16.8 -49.2 -19.1 106 110 A V E - H 0 117A 1 -20,-2.5 -91,-2.7 -2,-0.4 11,-0.2 -0.655 21.0-171.8 -74.3 105.9 15.4 -47.9 -15.8 107 111 A V E - 0 0 8 9,-2.1 2,-0.3 -2,-0.9 -1,-0.2 0.941 62.5 -21.8 -68.7 -48.6 15.1 -44.2 -16.6 108 112 A S E + H 0 116A 33 8,-1.2 8,-2.3 -93,-0.1 2,-0.3 -0.955 65.0 161.2-163.0 143.3 14.1 -43.0 -13.1 109 113 A T E - H 0 115A 9 -2,-0.3 6,-0.2 6,-0.2 -86,-0.0 -0.978 33.5-156.5-156.4 157.4 12.7 -44.5 -9.9 110 114 A N - 0 0 52 4,-1.6 2,-2.0 -2,-0.3 5,-0.1 0.123 43.6-134.2-115.4 13.2 12.3 -43.8 -6.2 111 115 A Y S S+ 0 0 31 3,-0.6 4,-0.1 1,-0.2 0, 0.0 -0.030 94.1 56.6 70.8 -36.1 11.8 -47.5 -5.6 112 116 A N S S+ 0 0 111 -2,-2.0 -1,-0.2 2,-0.1 3,-0.1 0.466 122.0 11.9-107.7 -4.9 8.8 -47.1 -3.2 113 117 A Q S S+ 0 0 105 1,-0.4 23,-2.4 23,-0.1 24,-0.4 0.617 115.4 7.5-133.2 -57.8 6.4 -45.1 -5.4 114 118 A H E - 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