==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CELL ADHESION 02-MAY-07 2PQS . COMPND 2 MOLECULE: LACTADHERIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR M.HUANG,B.C.FURIE . 636 4 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29386.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 396 62.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 1.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 228 35.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 76 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 50 7.9 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+4), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 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 RESIDUES PER ALPHA HELIX . 4 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 . 6 16 8 0 0 4 0 0 4 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 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 0 A V 0 0 178 0, 0.0 2,-0.2 0, 0.0 158,-0.0 0.000 360.0 360.0 360.0 127.5 27.4 -0.8 -35.9 2 1 A a + 0 0 26 1,-0.2 157,-0.1 69,-0.0 156,-0.1 -0.523 360.0 131.2 63.8-133.7 30.5 1.2 -36.6 3 2 A T + 0 0 58 1,-0.2 -1,-0.2 -2,-0.2 156,-0.1 0.739 37.3 145.2 64.0 22.7 30.2 4.1 -34.2 4 3 A E E -A 158 0A 107 154,-2.4 154,-1.8 1,-0.1 -1,-0.2 -0.669 59.5 -95.3 -97.5 150.1 33.8 3.7 -32.9 5 4 A P E -A 157 0A 81 0, 0.0 152,-0.2 0, 0.0 -1,-0.1 -0.394 30.5-149.8 -60.5 130.1 36.2 6.4 -31.7 6 5 A L - 0 0 11 150,-2.8 151,-0.1 -2,-0.1 153,-0.0 0.380 54.7 -76.7 -87.6 3.9 38.5 7.3 -34.7 7 6 A G S S+ 0 0 0 149,-0.2 6,-2.5 5,-0.1 5,-0.2 0.578 96.8 109.2 118.8 8.5 41.5 8.3 -32.7 8 7 A L S > S+ 0 0 1 148,-0.2 3,-1.2 3,-0.2 147,-0.1 0.971 85.9 37.4 -80.6 -56.6 41.1 11.8 -31.2 9 8 A K T 3 S+ 0 0 115 1,-0.2 -1,-0.1 2,-0.1 31,-0.1 0.935 121.2 45.3 -60.1 -48.4 40.8 11.0 -27.5 10 9 A D T 3 S- 0 0 91 1,-0.1 -1,-0.2 0, 0.0 -2,-0.1 0.360 108.5-122.3 -80.5 9.0 43.3 8.2 -27.5 11 10 A N S < S+ 0 0 96 -3,-1.2 -3,-0.2 1,-0.1 -2,-0.1 0.638 71.0 134.3 61.0 16.6 45.8 10.1 -29.6 12 11 A T + 0 0 104 -5,-0.2 -4,-0.2 2,-0.1 -5,-0.1 0.866 62.5 68.6 -61.8 -34.6 45.9 7.5 -32.3 13 12 A I S S- 0 0 6 -6,-2.5 52,-0.1 1,-0.0 -1,-0.1 -0.786 94.6-127.0 -87.6 118.8 45.6 10.4 -34.7 14 13 A P > - 0 0 51 0, 0.0 3,-1.1 0, 0.0 4,-0.1 -0.178 14.4-113.7 -65.1 157.7 48.8 12.4 -34.6 15 14 A N G > S+ 0 0 69 1,-0.3 3,-2.7 2,-0.2 23,-0.0 0.887 111.9 62.8 -57.4 -46.0 49.0 16.2 -34.1 16 15 A K G 3 S+ 0 0 176 1,-0.3 -1,-0.3 21,-0.0 -3,-0.0 0.764 98.0 60.7 -55.0 -24.1 50.3 17.0 -37.5 17 16 A Q G < S+ 0 0 38 -3,-1.1 47,-2.9 1,-0.1 2,-0.5 0.458 93.1 73.2 -85.0 0.1 47.1 15.6 -38.9 18 17 A I E < +B 63 0A 3 -3,-2.7 19,-0.3 45,-0.2 2,-0.2 -0.954 61.4 155.1-119.6 116.5 44.9 18.1 -37.0 19 18 A T E -B 62 0A 55 43,-2.1 43,-3.5 -2,-0.5 2,-0.3 -0.746 19.4-160.3-130.2 176.6 44.9 21.7 -38.3 20 19 A A E -B 61 0A 19 41,-0.3 41,-0.2 -2,-0.2 3,-0.1 -0.972 38.8-102.2-155.3 165.3 42.6 24.8 -38.3 21 20 A S S S- 0 0 40 39,-2.0 2,-0.3 -2,-0.3 40,-0.1 0.824 100.6 -35.4 -58.7 -33.4 42.0 28.1 -40.0 22 21 A S - 0 0 20 38,-0.4 2,-0.3 32,-0.1 -1,-0.2 -0.950 61.7-136.8-175.9 171.6 43.7 29.7 -37.1 23 22 A Y - 0 0 75 -2,-0.3 29,-0.3 29,-0.3 2,-0.2 -0.986 18.8-109.6-147.7 157.4 44.2 29.4 -33.3 24 23 A Y - 0 0 54 27,-3.0 10,-3.7 10,-0.4 2,-0.4 -0.555 16.6-158.6 -90.5 150.0 44.2 31.5 -30.2 25 24 A K B > -R 33 0B 79 8,-0.3 3,-2.1 -2,-0.2 8,-0.2 -0.974 22.0-128.6-128.3 115.1 47.2 32.5 -27.9 26 25 A T G > S- 0 0 16 6,-2.4 3,-1.8 -2,-0.4 6,-0.2 -0.455 95.9 -2.7 -64.5 127.1 46.5 33.6 -24.4 27 26 A W G 3 S- 0 0 202 1,-0.3 -1,-0.3 -2,-0.2 3,-0.1 0.698 122.6 -76.9 63.0 20.2 48.3 36.9 -23.7 28 27 A G G < S+ 0 0 61 -3,-2.1 2,-0.5 1,-0.2 -1,-0.3 0.614 93.1 146.4 67.4 11.7 49.7 36.6 -27.3 29 28 A L X - 0 0 87 -3,-1.8 3,-1.8 1,-0.1 -3,-0.2 -0.719 49.4-146.9 -89.4 124.0 52.2 34.0 -26.0 30 29 A S G > S+ 0 0 78 -2,-0.5 3,-0.9 1,-0.3 -1,-0.1 0.768 100.3 60.1 -54.9 -28.9 53.1 31.2 -28.4 31 30 A A G 3 S+ 0 0 87 1,-0.3 -1,-0.3 -5,-0.1 -2,-0.0 0.724 102.2 53.0 -74.0 -22.5 53.5 28.9 -25.4 32 31 A F G < S+ 0 0 62 -3,-1.8 -6,-2.4 -6,-0.2 2,-0.3 -0.211 79.4 145.1-106.6 41.4 49.9 29.4 -24.5 33 32 A S B < -R 25 0B 1 -3,-0.9 2,-1.7 -8,-0.2 -8,-0.3 -0.623 51.5-139.1 -80.5 134.0 48.6 28.5 -28.0 34 33 A W - 0 0 1 -10,-3.7 17,-1.3 -2,-0.3 -10,-0.4 -0.608 36.7-157.4 -91.5 72.2 45.2 26.8 -28.1 35 34 A F > - 0 0 38 -2,-1.7 3,-1.9 15,-0.2 4,-0.2 -0.090 23.1-122.0 -52.7 144.8 46.6 24.5 -30.8 36 35 A P G > S+ 0 0 10 0, 0.0 3,-1.7 0, 0.0 14,-0.2 0.857 111.2 63.1 -59.7 -31.7 44.1 22.7 -33.1 37 36 A Y G 3 S+ 0 0 56 -19,-0.3 -2,-0.1 1,-0.3 3,-0.1 0.339 89.5 68.9 -77.0 11.0 45.6 19.4 -32.1 38 37 A Y G < + 0 0 75 -3,-1.9 2,-2.2 1,-0.1 -1,-0.3 0.457 69.6 99.3-100.5 -7.6 44.4 20.0 -28.5 39 38 A A < + 0 0 1 -3,-1.7 115,-3.0 10,-0.3 2,-0.4 -0.204 53.0 136.8 -75.0 48.4 40.8 19.6 -29.7 40 39 A R B > -c 154 0A 8 -2,-2.2 3,-2.0 113,-0.3 115,-0.2 -0.833 64.0 -97.7-102.6 136.1 40.6 16.1 -28.4 41 40 A L T 3 S+ 0 0 9 113,-2.2 3,-0.1 -2,-0.4 113,-0.1 -0.190 104.8 3.6 -51.8 133.0 37.6 14.8 -26.6 42 41 A D T 3 S+ 0 0 40 1,-0.2 -1,-0.3 81,-0.1 2,-0.1 0.622 85.8 169.9 65.0 16.8 38.0 14.8 -22.8 43 42 A N < - 0 0 47 -3,-2.0 2,-0.3 5,-0.2 -1,-0.2 -0.378 19.7-151.2 -60.5 129.7 41.4 16.5 -23.0 44 43 A Q + 0 0 144 -3,-0.1 2,-0.3 -2,-0.1 3,-0.1 -0.730 44.7 63.2-105.0 155.2 42.5 17.6 -19.5 45 44 A G S S- 0 0 53 -2,-0.3 3,-0.4 1,-0.1 -2,-0.0 -0.844 88.7 -67.1 131.4-168.2 44.7 20.5 -18.6 46 45 A K S S+ 0 0 183 -2,-0.3 36,-0.2 1,-0.2 -1,-0.1 0.682 129.1 30.9 -98.5 -22.2 44.8 24.3 -18.9 47 46 A F S S+ 0 0 59 -3,-0.1 -1,-0.2 34,-0.1 -12,-0.2 -0.502 81.4 146.7-131.2 59.3 45.1 24.8 -22.6 48 47 A N + 0 0 16 -3,-0.4 2,-0.3 32,-0.2 -5,-0.2 -0.136 51.3 38.3 -91.6 33.6 43.1 21.6 -23.4 49 48 A A S S- 0 0 0 -2,-0.1 2,-0.4 -10,-0.1 -10,-0.3 -0.993 80.7 -91.2-169.5 169.6 41.3 22.6 -26.6 50 49 A W E +S 152 0C 0 102,-2.2 102,-2.4 -2,-0.3 2,-0.4 -0.795 36.3 178.9 -93.5 135.8 41.3 24.4 -29.9 51 50 A T E -S 151 0C 0 -17,-1.3 -27,-3.0 -2,-0.4 -17,-0.2 -0.990 30.0-119.1-136.6 124.0 40.1 28.0 -29.9 52 51 A A - 0 0 0 98,-1.7 -29,-0.3 -2,-0.4 98,-0.1 -0.244 17.9-124.5 -60.6 152.4 40.1 30.0 -33.1 53 52 A Q S S+ 0 0 131 -29,-0.1 2,-0.3 1,-0.1 -28,-0.1 0.916 96.0 18.2 -63.5 -43.1 42.3 33.1 -33.2 54 53 A T S S- 0 0 71 -30,-0.1 2,-1.1 2,-0.0 -1,-0.1 -0.876 81.4-117.5-126.7 158.3 39.2 35.2 -34.2 55 54 A N + 0 0 43 -2,-0.3 2,-0.2 253,-0.1 91,-0.1 -0.660 60.4 135.5 -99.3 79.6 35.5 34.6 -33.9 56 55 A S > - 0 0 27 -2,-1.1 3,-0.8 251,-0.0 252,-0.1 -0.698 65.1-114.3-117.5 172.2 34.3 34.6 -37.5 57 56 A A T 3 S+ 0 0 36 -2,-0.2 -2,-0.0 1,-0.2 -1,-0.0 0.518 108.3 64.4 -84.5 -5.0 32.0 32.4 -39.5 58 57 A S T 3 S+ 0 0 91 2,-0.0 -1,-0.2 86,-0.0 2,-0.1 0.234 73.4 116.9-104.4 15.4 34.8 31.2 -41.7 59 58 A E < - 0 0 13 -3,-0.8 2,-0.3 84,-0.2 -4,-0.0 -0.410 41.3-177.4 -77.8 158.0 36.8 29.4 -39.0 60 59 A W - 0 0 57 82,-0.2 -39,-2.0 -38,-0.1 2,-0.5 -0.996 27.4-143.6-158.0 152.5 37.4 25.6 -39.3 61 60 A L E -BD 20 141A 1 80,-2.1 80,-2.6 -2,-0.3 2,-0.5 -0.981 25.2-159.9-118.2 121.6 38.9 22.6 -37.5 62 61 A Q E -BD 19 140A 21 -43,-3.5 -43,-2.1 -2,-0.5 2,-0.5 -0.892 7.9-168.0-111.2 132.8 40.3 20.0 -39.9 63 62 A I E -BD 18 139A 1 76,-3.2 76,-2.2 -2,-0.5 2,-0.9 -0.966 9.9-155.5-121.0 122.0 41.0 16.4 -39.1 64 63 A D E - D 0 138A 22 -47,-2.9 74,-0.2 -2,-0.5 -47,-0.1 -0.844 3.3-164.4 -95.4 103.2 43.1 14.2 -41.4 65 64 A L E - 0 0 13 72,-3.5 -1,-0.1 -2,-0.9 73,-0.1 0.633 35.1-125.8 -63.7 -11.8 41.9 10.7 -40.6 66 65 A G E S+ 0 0 33 71,-0.3 2,-0.3 -49,-0.1 -1,-0.1 0.102 80.9 23.7 88.4 -23.5 45.0 9.5 -42.4 67 66 A S E S- 0 0 57 70,-0.2 2,-0.2 69,-0.2 69,-0.2 -0.976 101.8 -67.2-162.9 167.1 43.0 7.2 -44.7 68 67 A Q E + 0 0 73 -2,-0.3 2,-0.3 67,-0.1 69,-0.2 -0.451 63.9 168.9 -64.1 126.3 39.6 6.7 -46.2 69 68 A K E - D 0 136A 64 67,-2.6 67,-2.2 -2,-0.2 2,-0.6 -0.934 41.3-103.3-140.7 164.1 37.2 5.8 -43.4 70 69 A R E - D 0 135A 121 89,-2.4 89,-1.7 -2,-0.3 2,-0.6 -0.774 34.5-164.7 -87.0 121.7 33.5 5.4 -42.5 71 70 A V E +ED 158 134A 0 63,-3.4 63,-1.9 -2,-0.6 87,-0.3 -0.941 20.9 160.7-114.1 113.4 32.3 8.4 -40.5 72 71 A T E - 0 0 18 85,-1.8 58,-2.3 -2,-0.6 2,-0.3 0.652 60.1 -12.5-104.2 -22.8 29.0 7.8 -38.7 73 72 A G E -ED 157 129A 0 84,-1.3 84,-2.1 56,-0.3 2,-0.3 -0.921 51.9-132.8-161.6-172.2 29.0 10.5 -36.1 74 73 A I E -ED 156 128A 0 54,-2.1 54,-2.6 -2,-0.3 2,-0.4 -0.989 5.2-157.6-155.6 151.9 30.7 13.2 -34.0 75 74 A I E -ED 155 127A 21 80,-2.5 80,-1.7 -2,-0.3 2,-0.3 -1.000 16.9-178.8-135.1 134.5 31.1 14.3 -30.4 76 75 A T E -ED 154 126A 0 50,-1.8 50,-1.5 -2,-0.4 2,-0.3 -0.922 10.4-177.5-134.7 161.6 32.1 17.8 -29.2 77 76 A Q E -E 153 0A 4 76,-1.5 76,-1.0 -2,-0.3 11,-0.2 -0.934 18.9-137.2-145.4 163.1 32.7 19.8 -26.0 78 77 A G - 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