==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIPID BINDING PROTEIN 17-SEP-01 1JZU . COMPND 2 MOLECULE: LIPOCALIN Q83; . SOURCE 2 ORGANISM_SCIENTIFIC: COTURNIX COTURNIX; . AUTHOR M.HARTL,T.MATT,W.SCHUELER,G.SIEMEISTER,G.KONTAXIS,K.KLOIBER, . 157 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10351.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 111 70.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 63 40.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 1.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 1.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 . 15 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 19 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.9 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 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 0 2 0 0 2 1 2 0 1 1 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 1 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 1 A M 0 0 209 0, 0.0 92,-0.0 0, 0.0 91,-0.0 0.000 360.0 360.0 360.0 135.0 -15.4 -3.9 -17.2 2 2 A T + 0 0 137 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.099 360.0 9.6-178.3 -45.1 -16.6 -6.5 -19.7 3 3 A V S S- 0 0 99 2,-0.1 0, 0.0 0, 0.0 0, 0.0 -0.961 78.4 -99.2-157.6 137.0 -16.9 -9.9 -18.0 4 4 A P + 0 0 125 0, 0.0 2,-0.2 0, 0.0 0, 0.0 -0.206 49.5 155.9 -55.9 142.8 -16.6 -11.2 -14.4 5 5 A D > - 0 0 85 1,-0.1 3,-0.8 2,-0.0 4,-0.3 -0.775 41.7-150.4-173.6 125.2 -13.3 -12.7 -13.4 6 6 A R G >> S+ 0 0 182 1,-0.2 3,-1.7 -2,-0.2 4,-1.5 0.843 96.6 71.9 -66.1 -34.0 -11.4 -13.3 -10.1 7 7 A S G 34 S+ 0 0 72 1,-0.3 -1,-0.2 2,-0.2 -2,-0.0 0.828 78.0 79.1 -50.2 -35.3 -8.1 -13.0 -12.0 8 8 A E G <4 S+ 0 0 50 -3,-0.8 -1,-0.3 1,-0.3 -2,-0.2 0.870 104.7 32.7 -41.1 -46.4 -8.9 -9.3 -12.3 9 9 A I T <4 S+ 0 0 6 -3,-1.7 -1,-0.3 -4,-0.3 2,-0.2 0.883 107.7 81.3 -79.1 -41.6 -7.7 -8.9 -8.7 10 10 A A S < S+ 0 0 41 -4,-1.5 2,-0.3 28,-0.1 30,-0.2 -0.474 73.8 64.4 -68.7 130.7 -5.1 -11.7 -8.9 11 11 A G E S-A 39 0A 38 28,-1.3 28,-1.2 -2,-0.2 2,-0.5 -0.980 87.8 -18.1 160.1-145.9 -1.9 -10.5 -10.5 12 12 A K E -A 38 0A 72 -2,-0.3 2,-0.4 26,-0.2 26,-0.3 -0.866 48.8-167.0-103.8 128.8 1.1 -8.2 -9.9 13 13 A W E -A 37 0A 0 24,-3.5 24,-3.0 -2,-0.5 2,-0.6 -0.948 4.9-158.4-115.4 129.4 0.8 -5.2 -7.5 14 14 A Y E -A 36 0A 65 -2,-0.4 102,-2.2 102,-0.3 2,-0.7 -0.908 5.0-156.4-112.2 112.4 3.4 -2.4 -7.5 15 15 A V E +AB 35 115A 12 -2,-0.6 20,-1.0 20,-0.5 100,-0.2 -0.760 44.3 124.4 -90.6 116.5 3.6 -0.4 -4.3 16 16 A V E + 0 0 37 98,-1.4 130,-0.9 -2,-0.7 2,-0.3 0.515 54.4 72.1-135.6 -41.6 5.1 3.1 -4.9 17 17 A A E +CB 145 114A 18 97,-0.6 97,-2.1 -3,-0.3 2,-0.3 -0.624 57.8 169.9 -85.2 141.7 2.5 5.6 -3.6 18 18 A L E -CB 144 113A 33 126,-1.5 126,-0.7 -2,-0.3 2,-0.4 -0.996 16.4-171.0-151.9 147.9 2.1 6.0 0.2 19 19 A A E + B 0 112A 4 93,-0.7 93,-3.3 -2,-0.3 2,-0.3 -0.978 21.3 152.5-143.8 126.0 0.3 8.4 2.6 20 20 A S E - B 0 111A 11 123,-0.9 123,-0.5 -2,-0.4 2,-0.3 -0.935 33.1-147.3-148.8 174.7 0.7 8.5 6.4 21 21 A N E + B 0 110A 39 89,-2.1 89,-1.5 -2,-0.3 2,-0.3 -0.934 37.4 134.5-148.4 117.5 0.6 10.4 9.7 22 22 A T > - 0 0 38 -2,-0.3 3,-2.2 87,-0.2 4,-0.2 -0.922 55.2-130.3-166.3 139.5 2.8 9.6 12.6 23 23 A E G > S+ 0 0 173 1,-0.3 3,-0.7 -2,-0.3 4,-0.2 0.852 115.0 55.1 -59.0 -34.3 5.0 11.3 15.1 24 24 A F G 3> S+ 0 0 119 1,-0.2 4,-1.8 2,-0.1 3,-0.3 0.221 73.4 113.8 -83.5 15.0 7.8 8.9 14.2 25 25 A F G <4 S+ 0 0 81 -3,-2.2 -1,-0.2 1,-0.2 -2,-0.1 0.865 72.0 57.7 -53.8 -37.6 7.4 9.9 10.6 26 26 A L T X4 S+ 0 0 109 -3,-0.7 3,-1.4 1,-0.2 4,-0.3 0.926 107.2 45.8 -59.5 -46.7 10.9 11.4 10.7 27 27 A R T >> S+ 0 0 176 -3,-0.3 3,-0.9 1,-0.3 4,-0.7 0.801 102.2 67.3 -66.5 -30.1 12.3 8.0 11.7 28 28 A E H 3X S+ 0 0 60 -4,-1.8 4,-0.6 1,-0.2 -1,-0.3 0.393 79.8 83.2 -72.9 5.1 10.3 6.3 9.0 29 29 A K H <4 S+ 0 0 70 -3,-1.4 3,-0.4 2,-0.2 125,-0.3 0.897 89.9 47.3 -75.1 -40.6 12.4 8.1 6.4 30 30 A D H <4 S+ 0 0 70 -3,-0.9 -2,-0.2 -4,-0.3 -1,-0.1 0.918 105.2 58.4 -65.5 -46.1 15.2 5.6 6.5 31 31 A K H < S+ 0 0 121 -4,-0.7 -1,-0.2 28,-0.0 -2,-0.2 0.744 82.1 115.3 -56.4 -24.7 12.9 2.6 6.2 32 32 A M < + 0 0 31 -4,-0.6 2,-0.3 -3,-0.4 -3,-0.0 -0.209 38.6 146.2 -51.8 133.6 11.6 4.0 2.9 33 33 A K - 0 0 40 119,-0.1 22,-0.2 26,-0.0 28,-0.0 -0.974 54.0 -74.7-161.8 164.3 12.4 1.8 -0.0 34 34 A M - 0 0 61 20,-1.2 2,-0.4 -2,-0.3 -18,-0.1 -0.338 51.6-153.0 -64.1 146.8 11.0 0.7 -3.4 35 35 A A E +A 15 0A 8 -20,-1.0 -20,-0.5 18,-0.2 2,-0.3 -0.985 18.8 178.7-135.4 135.3 8.1 -1.8 -3.0 36 36 A M E -AD 14 52A 68 16,-1.1 16,-1.2 -2,-0.4 2,-0.3 -0.867 11.2-177.4-123.6 155.5 6.7 -4.5 -5.2 37 37 A A E -AD 13 51A 2 -24,-3.0 -24,-3.5 14,-0.3 2,-0.4 -0.996 18.0-156.9-155.3 158.3 3.8 -6.8 -4.5 38 38 A R E -AD 12 50A 165 12,-3.3 12,-2.2 -2,-0.3 2,-0.4 -0.989 14.7-148.8-140.6 126.5 1.7 -9.8 -5.8 39 39 A I E +AD 11 49A 16 -28,-1.2 -28,-1.3 -2,-0.4 2,-0.3 -0.783 23.4 160.7-100.3 141.0 -1.8 -10.7 -4.8 40 40 A S E - D 0 48A 61 8,-2.9 8,-2.5 -2,-0.4 2,-0.5 -0.969 39.0-114.8-158.0 139.0 -3.2 -14.2 -4.6 41 41 A F E - D 0 47A 84 -2,-0.3 2,-0.5 6,-0.2 6,-0.3 -0.663 28.2-137.7 -80.6 119.9 -6.1 -16.0 -3.0 42 42 A L E > - D 0 46A 53 4,-1.6 2,-3.4 -2,-0.5 4,-1.6 -0.656 14.7-129.9 -80.2 120.5 -5.1 -18.5 -0.3 43 43 A G T 4 S+ 0 0 79 -2,-0.5 -1,-0.1 1,-0.2 4,-0.1 -0.241 93.6 73.3 -67.6 57.9 -7.2 -21.7 -0.6 44 44 A E T 4 S- 0 0 127 -2,-3.4 -1,-0.2 2,-0.4 3,-0.1 -0.008 125.0 -75.7-160.4 36.5 -8.0 -21.7 3.1 45 45 A D T 4 S+ 0 0 149 -3,-0.4 2,-0.3 1,-0.2 -2,-0.1 0.838 106.3 101.4 67.6 34.5 -10.5 -18.9 3.7 46 46 A E E < -D 42 0A 58 -4,-1.6 -4,-1.6 23,-0.1 2,-0.4 -0.994 57.3-151.5-151.4 143.0 -7.7 -16.4 3.4 47 47 A L E -DE 41 68A 39 21,-0.9 21,-1.4 -2,-0.3 2,-0.3 -0.939 20.1-170.9-115.8 133.2 -6.3 -13.9 0.8 48 48 A K E -DE 40 67A 60 -8,-2.5 -8,-2.9 -2,-0.4 2,-0.4 -0.940 15.5-166.4-128.7 152.0 -2.6 -12.9 0.8 49 49 A V E -DE 39 66A 5 17,-2.2 17,-1.5 -2,-0.3 2,-0.3 -0.961 13.2-153.3-138.0 115.3 -0.4 -10.4 -1.0 50 50 A S E -DE 38 65A 35 -12,-2.2 -12,-3.3 -2,-0.4 2,-0.4 -0.682 10.0-165.3 -88.8 140.7 3.4 -10.7 -0.9 51 51 A Y E -DE 37 64A 29 13,-1.6 13,-1.2 -2,-0.3 2,-0.7 -0.988 8.1-160.6-132.9 126.8 5.5 -7.5 -1.3 52 52 A A E -DE 36 63A 29 -16,-1.2 -16,-1.1 -2,-0.4 11,-0.3 -0.895 7.0-162.4-109.0 107.3 9.2 -7.4 -2.1 53 53 A V E - E 0 62A 27 9,-3.6 9,-2.7 -2,-0.7 2,-0.2 -0.796 12.1-164.8 -92.8 110.0 10.8 -4.1 -1.2 54 54 A P E + E 0 61A 42 0, 0.0 -20,-1.2 0, 0.0 7,-0.3 -0.647 30.4 141.9 -94.9 151.1 14.2 -3.7 -3.0 55 55 A K E >> + E 0 60A 44 5,-1.3 4,-3.2 -2,-0.2 5,-0.7 -0.013 7.4 154.7 178.7 54.2 16.9 -1.1 -2.2 56 56 A P T 45S+ 0 0 94 0, 0.0 2,-2.4 0, 0.0 5,-0.1 0.923 73.2 62.4 -58.3 -47.5 20.4 -2.7 -2.6 57 57 A N T 45S+ 0 0 139 1,-0.2 3,-0.0 3,-0.1 0, 0.0 -0.229 123.5 17.1 -76.0 51.1 22.1 0.6 -3.2 58 58 A G T 45S- 0 0 26 -2,-2.4 94,-0.4 -3,-0.4 -1,-0.2 0.122 140.2 -25.2 178.0 -43.9 21.1 1.8 0.2 59 59 A a T <5S- 0 0 52 -4,-3.2 2,-0.2 1,-0.2 -26,-0.0 0.261 85.1 -94.5-151.1 -70.8 20.1 -1.0 2.5 60 60 A R E < -E 55 0A 145 -5,-0.7 -5,-1.3 -7,-0.0 2,-0.3 -0.835 43.8 -70.5 175.3-134.9 18.8 -4.3 1.0 61 61 A K E -E 54 0A 119 -7,-0.3 2,-0.4 -2,-0.2 -26,-0.1 -0.987 32.8-159.5-154.6 143.7 15.4 -5.8 0.2 62 62 A W E -E 53 0A 158 -9,-2.7 -9,-3.6 -2,-0.3 2,-0.4 -0.968 3.0-168.3-131.9 147.8 12.5 -7.2 2.2 63 63 A E E +E 52 0A 132 -2,-0.4 2,-0.3 -11,-0.3 -11,-0.2 -0.990 10.8 168.4-133.8 140.2 9.6 -9.6 1.5 64 64 A T E -E 51 0A 31 -13,-1.2 -13,-1.6 -2,-0.4 2,-0.7 -0.975 25.3-140.6-154.7 137.2 6.5 -10.3 3.6 65 65 A T E -E 50 0A 69 -2,-0.3 2,-0.4 -15,-0.2 -15,-0.2 -0.875 19.2-171.5-103.3 113.7 3.2 -12.1 3.1 66 66 A F E +E 49 0A 52 -17,-1.5 -17,-2.2 -2,-0.7 2,-0.3 -0.850 16.8 156.2-104.4 136.3 0.1 -10.5 4.6 67 67 A K E +E 48 0A 93 -2,-0.4 -19,-0.2 -19,-0.2 2,-0.2 -0.995 11.6 113.6-157.2 158.0 -3.2 -12.3 4.6 68 68 A K E -E 47 0A 83 -21,-1.4 -21,-0.9 -2,-0.3 2,-0.3 -0.621 67.8 -16.4 178.8-114.1 -6.6 -12.6 6.3 69 69 A T E -F 78 0A 68 9,-1.5 9,-0.6 -23,-0.2 2,-0.3 -0.800 49.1-157.8-118.9 162.1 -10.1 -11.8 5.1 70 70 A S E -F 77 0A 37 -2,-0.3 7,-0.2 7,-0.2 2,-0.2 -0.996 12.9-128.4-142.1 145.3 -11.5 -9.8 2.1 71 71 A D - 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