==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 14-JUL-08 3DSZ . COMPND 2 MOLECULE: ENGINEERED HUMAN LIPOCALIN 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.EICHINGER,A.SKERRA . 345 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19856.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 236 68.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 128 37.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 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 . 35 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 28 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 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 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 . 0 2 4 2 0 4 0 0 4 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 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 7 A L 0 0 109 0, 0.0 33,-0.2 0, 0.0 125,-0.1 0.000 360.0 360.0 360.0 135.3 -16.8 65.7 65.7 2 8 A I - 0 0 44 31,-0.7 125,-0.1 125,-0.1 31,-0.1 -0.844 360.0 -89.1-104.8 140.9 -16.5 68.9 67.9 3 9 A P - 0 0 107 0, 0.0 -1,-0.1 0, 0.0 123,-0.1 -0.175 38.2-111.1 -55.5 136.1 -15.1 72.1 66.2 4 10 A A - 0 0 20 1,-0.1 3,-0.1 121,-0.1 114,-0.1 -0.390 40.9-116.2 -62.7 140.9 -11.4 72.8 66.3 5 11 A P - 0 0 11 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.449 30.4 -94.4 -82.2 153.8 -10.7 75.8 68.6 6 12 A P > - 0 0 71 0, 0.0 3,-2.7 0, 0.0 4,-0.3 -0.442 36.8-119.0 -63.4 141.9 -9.3 79.1 67.3 7 13 A L G > S+ 0 0 61 1,-0.3 3,-1.3 2,-0.2 -3,-0.0 0.694 110.7 73.6 -56.4 -18.6 -5.5 79.0 67.8 8 14 A S G 3 S+ 0 0 115 1,-0.3 -1,-0.3 3,-0.0 0, 0.0 0.649 93.7 53.5 -69.8 -15.0 -5.8 82.0 70.1 9 15 A K G < S+ 0 0 120 -3,-2.7 -1,-0.3 1,-0.1 -2,-0.2 0.482 97.1 76.9 -94.4 -6.1 -7.2 79.5 72.7 10 16 A V S < S- 0 0 1 -3,-1.3 -1,-0.1 -4,-0.3 106,-0.0 -0.826 76.9-149.5-109.8 94.8 -4.2 77.3 72.3 11 17 A P - 0 0 69 0, 0.0 2,-0.4 0, 0.0 -2,-0.1 -0.059 6.1-137.0 -56.5 162.7 -1.2 78.8 74.2 12 18 A L - 0 0 58 73,-0.0 93,-0.3 4,-0.0 2,-0.1 -0.991 29.9-102.9-124.4 128.9 2.4 78.2 72.9 13 19 A Q > - 0 0 47 91,-2.8 3,-0.8 -2,-0.4 93,-0.1 -0.332 43.1-120.7 -54.4 119.4 5.1 77.4 75.5 14 20 A Q T 3 S+ 0 0 151 1,-0.2 3,-0.1 91,-0.2 -1,-0.1 -0.358 89.3 5.3 -64.6 139.4 7.1 80.6 76.0 15 21 A N T 3 S- 0 0 125 1,-0.2 -1,-0.2 -3,-0.1 69,-0.1 0.892 88.8-153.7 52.4 48.0 10.8 80.4 75.1 16 22 A F < - 0 0 16 -3,-0.8 2,-0.8 67,-0.3 -1,-0.2 -0.279 4.4-151.8 -57.0 128.6 10.5 76.8 73.7 17 23 A Q >> - 0 0 80 1,-0.2 3,-1.9 -3,-0.1 4,-1.3 -0.862 9.2-170.2-106.3 99.5 13.8 74.9 74.0 18 24 A D H 3> S+ 0 0 49 -2,-0.8 4,-0.8 1,-0.3 3,-0.2 0.851 85.5 55.5 -59.7 -34.0 13.9 72.3 71.3 19 25 A N H 34 S+ 0 0 91 1,-0.2 -1,-0.3 2,-0.2 33,-0.0 0.403 108.1 48.2 -81.8 3.5 17.0 70.6 72.7 20 26 A Q H <4 S+ 0 0 98 -3,-1.9 -1,-0.2 3,-0.0 -2,-0.2 0.584 107.6 56.0-108.8 -19.1 15.4 70.1 76.1 21 27 A F H < S+ 0 0 1 -4,-1.3 29,-0.2 -3,-0.2 -2,-0.2 0.637 85.8 105.4 -85.8 -16.1 12.2 68.6 74.6 22 28 A H < + 0 0 97 -4,-0.8 29,-0.2 27,-0.1 2,-0.2 -0.005 58.2 40.2 -60.7 166.7 14.0 65.9 72.7 23 29 A G E S-A 50 0A 19 27,-2.9 27,-2.7 2,-0.0 2,-0.4 -0.481 93.5 -7.0 98.8-163.2 14.0 62.2 73.7 24 30 A K E +A 49 0A 57 25,-0.2 2,-0.3 -2,-0.2 25,-0.2 -0.611 52.7 170.5 -86.6 131.5 11.5 59.8 75.1 25 31 A W E -A 48 0A 0 23,-3.0 23,-3.7 -2,-0.4 2,-0.4 -0.963 22.9-141.1-131.8 148.7 7.9 60.7 76.2 26 32 A Y E -AB 47 133A 23 107,-2.7 107,-2.2 -2,-0.3 2,-1.4 -0.885 20.5-126.9-107.8 140.2 5.0 58.4 77.2 27 33 A Q E + B 0 132A 24 19,-2.6 19,-0.4 -2,-0.4 105,-0.2 -0.711 40.5 164.6 -84.1 91.3 1.4 59.4 76.1 28 34 A V E + 0 0 8 103,-1.6 2,-0.3 -2,-1.4 -1,-0.2 0.775 64.8 16.2 -84.9 -18.4 -0.2 59.3 79.6 29 35 A G E + B 0 131A 0 102,-1.8 102,-3.0 133,-0.2 2,-0.3 -0.989 63.4 177.2-148.5 150.2 -3.3 61.2 78.5 30 36 A R E -CB 161 130A 60 131,-2.3 131,-3.3 -2,-0.3 2,-0.3 -0.984 5.8-174.7-153.4 147.1 -5.0 62.1 75.3 31 37 A A E +CB 160 129A 1 98,-2.2 98,-2.2 -2,-0.3 2,-0.3 -0.957 11.6 174.0-146.6 123.3 -8.2 63.9 74.3 32 38 A G E - B 0 128A 23 127,-1.0 96,-0.2 -2,-0.3 -2,-0.0 -0.866 39.3-125.8-129.3 164.8 -9.6 64.3 70.7 33 39 A N S S+ 0 0 2 94,-2.0 -31,-0.7 -2,-0.3 95,-0.1 0.485 79.5 100.4 -85.6 -2.6 -12.7 65.7 69.0 34 40 A A S S- 0 0 30 93,-0.3 -2,-0.1 -33,-0.2 92,-0.0 0.016 82.3 -37.6 -81.7-175.7 -13.2 62.4 67.2 35 41 A A - 0 0 70 1,-0.1 -3,-0.1 -34,-0.0 -1,-0.1 0.214 48.5-143.3 -29.8 161.1 -15.2 59.3 67.2 36 42 A L - 0 0 114 -3,-0.1 -1,-0.1 2,-0.0 -2,-0.1 0.677 30.9-148.2-113.6 -25.2 -15.6 58.2 70.7 37 43 A R - 0 0 197 1,-0.1 2,-0.4 0, 0.0 -3,-0.0 0.976 9.9-132.2 56.6 112.5 -15.3 54.4 70.1 38 44 A E + 0 0 202 2,-0.0 2,-0.3 0, 0.0 -1,-0.1 -0.756 43.4 144.5 -93.0 134.9 -17.0 51.4 71.9 39 45 A D - 0 0 68 -2,-0.4 0, 0.0 0, 0.0 0, 0.0 -0.899 47.5-149.7-165.5 114.6 -14.6 48.6 72.8 40 46 A K S S+ 0 0 215 -2,-0.3 -2,-0.0 2,-0.1 0, 0.0 0.008 81.3 95.8 -88.4 39.4 -14.2 46.1 75.8 41 47 A D S S- 0 0 114 3,-0.0 3,-0.0 0, 0.0 -1,-0.0 -0.981 79.1-131.7-124.4 114.8 -10.5 46.3 75.0 42 48 A P - 0 0 96 0, 0.0 2,-0.5 0, 0.0 -2,-0.1 -0.273 26.4-105.5 -61.7 149.1 -8.8 48.9 77.2 43 49 A Q - 0 0 68 119,-0.1 121,-2.8 1,-0.0 2,-0.3 -0.690 33.6-143.0 -83.5 125.7 -6.4 51.3 75.5 44 50 A K B -j 164 0B 97 -2,-0.5 2,-0.0 119,-0.2 122,-0.0 -0.672 22.6-103.3 -91.3 146.7 -2.7 50.5 76.1 45 51 A M - 0 0 3 119,-2.8 20,-0.3 -2,-0.3 2,-0.3 -0.292 32.1-156.3 -68.6 148.1 -0.2 53.2 76.5 46 52 A T - 0 0 23 -19,-0.4 -19,-2.6 18,-0.1 2,-0.3 -0.801 5.1-140.7-119.4 162.9 2.2 54.3 73.8 47 53 A A E -AD 26 63A 0 16,-1.3 16,-2.3 -2,-0.3 2,-0.4 -0.912 10.5-157.4-124.3 152.1 5.7 55.9 73.9 48 54 A Q E -AD 25 62A 19 -23,-3.7 -23,-3.0 -2,-0.3 2,-0.5 -0.989 4.5-153.7-131.2 135.9 7.0 58.6 71.5 49 55 A I E -AD 24 61A 43 12,-2.3 12,-2.2 -2,-0.4 2,-0.9 -0.963 5.9-157.3-114.7 120.2 10.7 59.5 70.8 50 56 A Y E -AD 23 60A 6 -27,-2.7 -27,-2.9 -2,-0.5 2,-0.8 -0.836 12.4-168.4 -96.0 99.5 11.3 63.1 69.6 51 57 A E E - D 0 59A 113 8,-2.3 8,-2.3 -2,-0.9 2,-0.4 -0.834 12.3-144.6 -95.9 109.1 14.6 62.9 67.8 52 58 A L E - D 0 58A 47 -2,-0.8 6,-0.2 6,-0.2 2,-0.1 -0.610 20.9-157.7 -75.5 126.2 16.0 66.5 67.1 53 59 A K > - 0 0 55 4,-3.3 3,-1.7 -2,-0.4 -1,-0.0 -0.479 30.5-102.3-102.0 171.7 17.7 66.6 63.7 54 60 A E T 3 S+ 0 0 77 1,-0.3 144,-0.1 -2,-0.1 -1,-0.1 0.867 121.3 56.7 -59.5 -38.0 20.4 68.9 62.1 55 61 A D T 3 S- 0 0 28 1,-0.1 -1,-0.3 2,-0.1 3,-0.1 0.378 120.5-110.6 -77.6 8.2 17.7 70.8 60.1 56 62 A K S < S+ 0 0 94 -3,-1.7 2,-0.2 1,-0.3 -2,-0.1 0.521 81.5 119.9 75.8 9.9 15.9 71.5 63.4 57 63 A S - 0 0 0 21,-0.1 -4,-3.3 227,-0.1 2,-0.4 -0.495 60.0-126.4 -94.0 168.3 13.0 69.2 62.7 58 64 A Y E -DE 52 77A 1 19,-1.9 19,-2.7 -6,-0.2 2,-0.8 -0.950 2.3-147.8-116.4 139.6 12.1 66.2 64.9 59 65 A N E -DE 51 76A 52 -8,-2.3 -8,-2.3 -2,-0.4 2,-0.6 -0.960 26.6-160.1-101.2 112.8 11.6 62.7 63.6 60 66 A V E -DE 50 75A 11 15,-3.4 15,-2.5 -2,-0.8 2,-0.5 -0.887 8.6-170.1-102.4 115.8 8.9 61.6 66.0 61 67 A T E -DE 49 74A 32 -12,-2.2 -12,-2.3 -2,-0.6 2,-0.3 -0.923 1.6-167.4-110.4 122.4 8.5 57.9 66.3 62 68 A A E -DE 48 73A 36 11,-2.9 11,-2.0 -2,-0.5 2,-0.4 -0.798 5.1-160.5-103.1 146.3 5.6 56.4 68.2 63 69 A V E -DE 47 72A 6 -16,-2.3 -16,-1.3 -2,-0.3 2,-0.3 -0.992 8.7-178.6-129.9 137.0 5.5 52.7 69.2 64 70 A R E - E 0 71A 118 7,-2.2 7,-3.2 -2,-0.4 2,-0.7 -0.933 31.3-119.3-129.9 156.2 2.5 50.5 70.2 65 71 A F E + E 0 70A 46 -2,-0.3 2,-0.3 -20,-0.3 5,-0.2 -0.863 48.9 159.4 -93.4 115.8 2.1 46.9 71.3 66 72 A R E > - E 0 69A 129 3,-3.1 3,-2.2 -2,-0.7 -2,-0.1 -0.996 56.7 -2.7-146.3 136.2 -0.1 45.3 68.6 67 73 A K T 3 S- 0 0 168 -2,-0.3 -1,-0.1 1,-0.3 3,-0.1 0.904 127.8 -57.6 50.1 47.1 -0.8 41.7 67.5 68 74 A K T 3 S+ 0 0 193 1,-0.2 -1,-0.3 -3,-0.1 2,-0.2 0.517 124.5 83.6 64.5 7.4 1.8 40.5 70.0 69 75 A K E < S-E 66 0A 162 -3,-2.2 -3,-3.1 99,-0.1 2,-0.5 -0.771 85.1 -93.5-131.7 177.0 4.5 42.6 68.4 70 76 A a E -E 65 0A 58 -2,-0.2 2,-0.5 -5,-0.2 -5,-0.2 -0.819 34.3-162.5 -96.4 132.2 5.9 46.2 68.4 71 77 A D E -E 64 0A 61 -7,-3.2 -7,-2.2 -2,-0.5 2,-0.3 -0.960 7.5-165.3-119.5 117.7 4.4 48.6 65.8 72 78 A Y E -E 63 0A 139 -2,-0.5 2,-0.3 -9,-0.2 -9,-0.2 -0.747 12.0-178.4-107.4 149.0 6.3 51.8 64.9 73 79 A L E -E 62 0A 109 -11,-2.0 -11,-2.9 -2,-0.3 2,-0.4 -0.980 9.6-161.8-144.2 127.4 5.3 55.0 63.0 74 80 A T E +E 61 0A 62 -2,-0.3 2,-0.4 -13,-0.2 -13,-0.2 -0.935 8.8 179.1-115.7 134.1 7.5 57.9 62.3 75 81 A M E -E 60 0A 30 -15,-2.5 -15,-3.4 -2,-0.4 2,-0.5 -0.991 23.4-131.4-132.5 141.2 6.4 61.4 61.4 76 82 A T E -E 59 0A 34 13,-0.4 13,-2.9 -2,-0.4 2,-0.7 -0.827 13.0-157.3 -97.1 120.4 8.6 64.5 60.7 77 83 A F E -EF 58 88A 7 -19,-2.7 -19,-1.9 -2,-0.5 11,-0.2 -0.882 9.4-155.8 -99.4 114.6 7.7 67.7 62.4 78 84 A V E - F 0 87A 7 9,-2.9 9,-2.5 -2,-0.7 -21,-0.1 -0.794 22.0-117.1 -92.0 124.5 9.1 70.7 60.5 79 85 A P E - F 0 86A 29 0, 0.0 7,-0.2 0, 0.0 2,-0.1 -0.311 22.9-149.8 -64.0 137.9 9.6 73.9 62.7 80 86 A G - 0 0 30 5,-2.2 4,-0.1 2,-0.5 5,-0.1 -0.197 40.1 -88.9 -90.0-170.5 7.7 77.0 61.9 81 87 A S S S+ 0 0 73 1,-0.1 -1,-0.0 2,-0.1 5,-0.0 0.750 114.7 73.0 -74.1 -22.2 9.0 80.6 62.6 82 88 A Q S > S- 0 0 103 1,-0.0 3,-1.7 2,-0.0 -2,-0.5 -0.843 95.7-117.9 -96.2 115.4 7.5 80.4 66.1 83 89 A P T 3 S+ 0 0 80 0, 0.0 -67,-0.3 0, 0.0 3,-0.1 -0.236 98.9 28.1 -51.6 127.0 9.5 78.0 68.4 84 90 A G T 3 S+ 0 0 3 1,-0.4 20,-2.9 -4,-0.1 2,-0.4 0.428 99.0 101.3 100.5 -2.4 7.3 75.1 69.5 85 91 A E E < + G 0 103A 41 -3,-1.7 -5,-2.2 18,-0.2 -1,-0.4 -0.915 48.6 177.6-115.0 144.6 5.1 75.1 66.5 86 92 A F E -FG 79 102A 8 16,-2.4 16,-2.4 -2,-0.4 2,-0.3 -0.963 21.2-154.4-144.6 162.1 5.4 72.6 63.6 87 93 A T E -FG 78 101A 63 -9,-2.5 -9,-2.9 -2,-0.3 2,-0.5 -0.754 40.3 -89.3-125.0 174.6 4.0 71.4 60.3 88 94 A L E > -F 77 0A 16 12,-0.5 3,-0.6 -2,-0.3 -11,-0.2 -0.763 31.0-134.0 -97.2 129.8 4.3 68.0 58.8 89 95 A G T 3 S+ 0 0 7 -13,-2.9 -13,-0.4 -2,-0.5 4,-0.1 -0.532 85.2 2.9 -77.4 142.6 7.1 66.9 56.5 90 96 A N T > S+ 0 0 109 -2,-0.2 3,-1.8 1,-0.1 -1,-0.2 0.897 71.0 174.0 50.6 52.7 6.2 65.1 53.3 91 97 A I G X + 0 0 53 -3,-0.6 3,-2.4 1,-0.3 6,-0.3 0.797 68.8 72.8 -59.5 -27.6 2.5 65.3 53.8 92 98 A K G 3 S+ 0 0 163 1,-0.3 -1,-0.3 4,-0.1 4,-0.1 0.780 87.5 64.9 -57.2 -27.7 1.9 63.7 50.4 93 99 A S G < S+ 0 0 61 -3,-1.8 -1,-0.3 1,-0.1 -2,-0.2 0.511 87.0 77.0 -76.3 -4.2 3.0 60.4 51.8 94 100 A Y S X S- 0 0 47 -3,-2.4 3,-1.8 3,-0.2 -1,-0.1 -0.849 87.6-128.2-111.3 104.9 0.1 60.2 54.2 95 101 A P T 3 S+ 0 0 130 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 -0.226 89.1 4.9 -49.9 123.2 -3.1 59.1 52.3 96 102 A G T 3 S+ 0 0 36 1,-0.2 26,-2.4 -4,-0.1 2,-0.5 0.153 94.7 123.8 91.1 -19.3 -5.9 61.6 53.0 97 103 A L E < + H 0 121A 23 -3,-1.8 24,-0.2 -6,-0.3 -1,-0.2 -0.654 19.7 157.3 -80.9 123.1 -4.0 64.1 55.1 98 104 A T E + 0 0 95 22,-2.5 2,-0.3 -2,-0.5 -1,-0.1 0.555 65.3 27.4-121.2 -15.8 -4.2 67.7 53.6 99 105 A S E + H 0 120A 43 21,-1.2 21,-2.2 -8,-0.1 -1,-0.4 -0.993 60.7 172.3-146.8 142.7 -3.4 69.9 56.6 100 106 A Y E + H 0 119A 36 -2,-0.3 -12,-0.5 19,-0.2 2,-0.3 -0.948 1.2 175.0-155.8 131.1 -1.4 69.3 59.8 101 107 A L E -GH 87 118A 18 17,-2.3 17,-2.1 -2,-0.3 2,-0.4 -1.000 9.3-164.8-141.0 141.4 -0.3 71.5 62.7 102 108 A V E +GH 86 117A 1 -16,-2.4 -16,-2.4 -2,-0.3 2,-0.4 -0.976 7.1 179.6-124.9 136.7 1.6 70.9 66.0 103 109 A R E -GH 85 116A 33 13,-2.5 13,-3.0 -2,-0.4 2,-0.8 -0.923 23.3-143.3-141.6 116.8 1.8 73.3 68.9 104 110 A V E - 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