==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CELL ADHESION 15-JAN-10 2X2T . COMPND 2 MOLECULE: AGGLUTININ; . SOURCE 2 ORGANISM_SCIENTIFIC: SCLEROTINIA SCLEROTIORUM; . AUTHOR G.SULZENBACHER,V.ROIG-ZAMBONI,W.J.PEUMANS,P.ROUGE,E.J.M.VAN . 152 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7379.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 102 67.1 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 . 55 36.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.7 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 . 1 0.7 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 . 16 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 2 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 . 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 . 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 . 7 2 1 1 3 1 0 0 0 0 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 2 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 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 2 A G 0 0 33 0, 0.0 2,-0.8 0, 0.0 150,-0.3 0.000 360.0 360.0 360.0 157.6 28.4 -7.3 8.7 2 3 A F + 0 0 30 105,-0.1 3,-0.1 1,-0.1 148,-0.1 -0.766 360.0 162.9 -80.1 110.9 28.9 -9.7 11.6 3 4 A K - 0 0 161 -2,-0.8 2,-0.2 1,-0.4 -1,-0.1 -0.236 56.3 -91.8-120.4 40.4 30.2 -7.7 14.6 4 5 A G S S+ 0 0 15 2,-0.0 -1,-0.4 47,-0.0 46,-0.2 -0.517 88.3 18.1 91.2-154.8 29.5 -10.2 17.4 5 6 A V S S+ 0 0 88 -2,-0.2 2,-0.3 -3,-0.1 46,-0.2 -0.227 83.9 93.6 -58.7 145.4 26.5 -10.6 19.6 6 7 A G E S-A 50 0A 23 44,-1.4 44,-2.8 2,-0.0 2,-0.4 -0.928 75.9 -65.2 156.4-178.8 23.2 -8.8 18.4 7 8 A T E +A 49 0A 44 145,-0.6 145,-3.1 -2,-0.3 2,-0.3 -0.868 59.3 169.0-102.5 133.4 20.0 -9.4 16.5 8 9 A Y E -AB 48 151A 8 40,-2.5 40,-2.3 -2,-0.4 2,-0.5 -0.973 42.6-125.8-139.6 152.3 20.4 -10.2 12.8 9 10 A E E - B 0 150A 6 141,-2.3 141,-2.7 -2,-0.3 2,-0.6 -0.882 32.4-144.8 -83.5 138.5 18.8 -11.3 9.6 10 11 A I E - B 0 149A 0 -2,-0.5 10,-2.2 36,-0.3 139,-0.2 -0.941 22.2-166.3-109.1 114.2 21.0 -14.2 8.4 11 12 A V E - B 0 148A 0 137,-2.7 137,-2.7 -2,-0.6 8,-0.2 -0.892 20.7-119.6-118.1 124.0 21.0 -13.9 4.6 12 13 A P E > - B 0 147A 6 0, 0.0 3,-1.4 0, 0.0 6,-0.3 -0.379 20.3-134.1 -67.0 134.0 22.2 -16.5 2.0 13 14 A Y T 3 S+ 0 0 45 133,-2.7 134,-0.1 130,-0.3 131,-0.1 0.846 102.6 48.4 -54.8 -41.3 25.1 -15.3 -0.2 14 15 A Q T 3 S+ 0 0 67 129,-0.3 -1,-0.3 132,-0.3 130,-0.1 0.594 122.2 32.6 -77.6 -12.5 23.6 -16.5 -3.5 15 16 A A X + 0 0 4 -3,-1.4 3,-2.0 3,-0.1 -1,-0.3 -0.577 62.7 174.1-147.2 74.7 20.1 -15.0 -2.8 16 17 A P T 3 S+ 0 0 72 0, 0.0 -3,-0.1 0, 0.0 -1,-0.1 0.474 75.9 69.0 -73.8 -1.0 20.3 -11.7 -0.8 17 18 A S T 3 S+ 0 0 85 -5,-0.1 21,-2.6 21,-0.0 22,-0.4 0.388 98.6 67.0 -84.3 -0.4 16.5 -11.0 -1.2 18 19 A L E < -K 37 0B 6 -3,-2.0 2,-0.3 19,-0.3 19,-0.2 -0.722 64.5-167.2-113.0 161.9 16.0 -14.1 1.1 19 20 A N E -K 36 0B 1 17,-2.4 17,-1.5 -2,-0.2 2,-0.5 -0.903 38.3 -78.9-140.3 174.8 16.8 -14.8 4.8 20 21 A L E -K 35 0B 0 -10,-2.2 2,-0.4 -2,-0.3 -10,-0.3 -0.698 54.7-170.9 -77.5 121.7 16.9 -17.7 7.3 21 22 A N E -K 34 0B 6 13,-2.9 13,-2.4 -2,-0.5 2,-0.9 -0.968 30.2-135.7-129.3 123.9 13.3 -18.4 8.4 22 23 A A E > -K 33 0B 3 23,-2.2 3,-1.7 -2,-0.4 11,-0.2 -0.741 49.3-114.5 -77.3 105.5 11.8 -20.7 11.1 23 24 A W T 3 S+ 0 0 79 9,-2.4 3,-0.4 -2,-0.9 9,-0.2 -0.166 90.4 6.0 -60.8 127.9 9.1 -22.2 8.9 24 25 A E T 3 S- 0 0 137 1,-0.2 -1,-0.3 7,-0.1 -2,-0.0 0.012 94.4-122.6 86.7 -22.4 5.5 -21.3 9.9 25 26 A G < + 0 0 21 -3,-1.7 -1,-0.2 1,-0.2 2,-0.2 0.849 58.5 151.8 59.1 37.6 6.7 -18.9 12.6 26 27 A K - 0 0 109 -3,-0.4 -1,-0.2 2,-0.2 5,-0.1 -0.494 54.4-124.7 -95.7 167.0 4.8 -20.7 15.4 27 28 A L S S+ 0 0 106 -2,-0.2 -1,-0.1 2,-0.1 -2,-0.0 0.640 78.4 102.3 -88.2 -16.7 5.6 -20.9 19.1 28 29 A E S S- 0 0 127 1,-0.1 3,-0.4 2,-0.0 -2,-0.2 -0.453 79.2-109.1 -67.7 141.0 5.7 -24.7 19.3 29 30 A P S S+ 0 0 66 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.243 89.8 50.9 -65.9 155.5 9.2 -26.2 19.4 30 31 A G + 0 0 40 54,-3.1 -2,-0.0 1,-0.2 0, 0.0 0.558 62.3 163.9 100.7 12.0 10.8 -28.1 16.5 31 32 A A E -M 84 0C 21 53,-0.7 53,-2.0 -3,-0.4 -1,-0.2 -0.256 34.6-128.0 -57.4 140.2 10.2 -25.8 13.5 32 33 A V E -M 83 0C 44 51,-0.2 -9,-2.4 -9,-0.2 2,-0.4 -0.535 23.2-125.2 -81.7 162.6 12.4 -26.6 10.4 33 34 A V E +K 22 0B 0 49,-2.0 101,-2.1 101,-0.3 49,-0.3 -0.913 35.2 159.6-117.3 134.3 14.4 -23.8 8.9 34 35 A R E -KL 21 133B 55 -13,-2.4 -13,-2.9 -2,-0.4 2,-0.2 -0.909 44.2 -93.2-137.8 166.9 14.3 -22.6 5.2 35 36 A T E +K 20 0B 1 97,-2.3 96,-2.1 -2,-0.3 2,-0.3 -0.599 50.0 173.0 -74.1 149.0 15.2 -19.7 3.1 36 37 A Y E -K 19 0B 113 -17,-1.5 -17,-2.4 94,-0.2 94,-0.0 -0.981 41.4 -74.6-156.0 152.8 12.2 -17.3 2.6 37 38 A T E -K 18 0B 81 -2,-0.3 -19,-0.3 -19,-0.2 92,-0.0 -0.172 37.1-143.8 -44.5 129.0 11.5 -13.9 1.1 38 39 A R - 0 0 58 -21,-2.6 5,-0.3 4,-0.1 -20,-0.1 0.937 29.8-161.6 -63.5 -47.1 12.8 -11.1 3.4 39 40 A G - 0 0 48 -22,-0.4 -1,-0.0 1,-0.1 -3,-0.0 -0.043 40.7 -70.7 77.8 169.6 10.0 -8.6 2.8 40 41 A D S S+ 0 0 172 1,-0.3 -1,-0.1 2,-0.0 -2,-0.0 0.884 131.0 27.4 -63.3 -38.3 10.1 -4.8 3.4 41 42 A K S S- 0 0 186 -3,-0.1 -1,-0.3 0, 0.0 0, 0.0 -0.960 92.1-130.8-125.8 113.8 10.0 -5.5 7.2 42 43 A P - 0 0 16 0, 0.0 2,-0.2 0, 0.0 -3,-0.1 -0.288 24.3-121.8 -63.9 145.3 11.5 -8.9 8.2 43 44 A S > - 0 0 52 -5,-0.3 3,-2.2 1,-0.1 25,-0.1 -0.503 20.2-111.5 -89.0 158.7 9.3 -10.9 10.6 44 45 A D G > S+ 0 0 76 1,-0.3 3,-1.4 2,-0.2 24,-1.1 0.782 116.2 61.7 -62.2 -29.8 10.4 -12.1 14.0 45 46 A N G 3 S+ 0 0 26 1,-0.3 -23,-2.2 22,-0.2 -1,-0.3 0.588 106.0 49.6 -70.7 -8.4 10.5 -15.7 13.0 46 47 A A G < S+ 0 0 1 -3,-2.2 2,-0.3 -25,-0.2 -36,-0.3 -0.010 96.7 85.1-118.2 24.8 13.2 -14.6 10.5 47 48 A K < - 0 0 45 -3,-1.4 20,-2.6 -38,-0.1 2,-0.4 -0.940 61.2-160.1-121.6 149.5 15.4 -12.7 13.0 48 49 A W E -AC 8 66A 0 -40,-2.3 -40,-2.5 -2,-0.3 2,-0.7 -0.993 15.3-140.5-138.6 129.7 18.0 -14.3 15.2 49 50 A Q E -AC 7 65A 68 16,-3.1 16,-3.0 -2,-0.4 2,-0.7 -0.856 17.0-150.9 -90.5 117.4 19.8 -13.4 18.4 50 51 A V E -AC 6 64A 0 -44,-2.8 -44,-1.4 -2,-0.7 2,-0.4 -0.804 21.1-173.9 -86.3 118.2 23.4 -14.3 18.2 51 52 A A E - C 0 63A 23 12,-2.4 12,-2.6 -2,-0.7 2,-0.3 -0.975 21.7-128.7-124.3 125.0 24.4 -15.0 21.8 52 53 A L E + C 0 62A 88 -2,-0.4 10,-0.2 10,-0.2 3,-0.1 -0.524 33.0 163.7 -76.3 130.7 27.9 -15.7 23.0 53 54 A V E + 0 0 52 8,-3.0 2,-0.3 1,-0.4 9,-0.2 0.578 62.3 5.4-120.3 -16.5 28.3 -18.9 25.2 54 55 A A E S- C 0 61A 32 7,-1.3 7,-2.8 1,-0.0 -1,-0.4 -0.977 99.5 -1.0-161.8 151.7 32.0 -19.7 25.2 55 56 A G - 0 0 58 -2,-0.3 2,-0.3 5,-0.2 5,-0.1 -0.090 62.5-106.8 73.3-164.5 35.4 -18.4 24.0 56 57 A S > + 0 0 90 4,-0.0 3,-0.6 -4,-0.0 2,-0.1 -0.964 69.2 24.2-161.5 160.8 36.3 -15.3 22.0 57 58 A G G > S- 0 0 59 -2,-0.3 3,-1.5 1,-0.2 0, 0.0 -0.380 118.8 -27.2 76.9-156.6 37.5 -14.5 18.5 58 59 A D G 3 S+ 0 0 102 1,-0.3 40,-0.2 39,-0.1 -1,-0.2 0.738 140.3 57.2 -67.1 -27.7 36.8 -16.8 15.4 59 60 A S G < S+ 0 0 83 -3,-0.6 -1,-0.3 38,-0.1 -2,-0.2 0.419 79.3 127.6 -76.4 -6.7 36.7 -19.8 17.8 60 61 A A < - 0 0 0 -3,-1.5 2,-0.5 38,-0.2 38,-0.4 -0.220 55.9-134.5 -56.6 143.9 33.8 -18.1 19.9 61 62 A E E -C 54 0A 42 -7,-2.8 -8,-3.0 36,-0.1 -7,-1.3 -0.901 25.9-172.4-106.4 134.0 30.8 -20.4 20.3 62 63 A Y E -CD 52 96A 21 34,-3.0 34,-2.1 -2,-0.5 2,-0.3 -0.909 25.2-138.8-124.6 144.6 27.3 -18.9 19.8 63 64 A L E -C 51 0A 10 -12,-2.6 -12,-2.4 -2,-0.3 2,-0.6 -0.783 19.4-148.3 -83.7 144.3 23.7 -19.9 20.2 64 65 A I E -C 50 0A 0 30,-0.4 9,-2.9 -2,-0.3 2,-0.5 -0.944 23.7-166.3-118.2 97.7 21.6 -18.6 17.2 65 66 A I E -CE 49 72A 35 -16,-3.0 -16,-3.1 -2,-0.6 7,-0.2 -0.805 21.4-121.0-100.1 125.1 18.2 -18.0 18.9 66 67 A N E > -C 48 0A 2 5,-2.9 4,-2.0 -2,-0.5 -18,-0.2 -0.374 16.8-145.0 -63.5 127.3 15.0 -17.4 17.1 67 68 A V T 4 S+ 0 0 55 -20,-2.6 -22,-0.2 -23,-0.5 -1,-0.2 0.901 95.3 43.2 -61.4 -37.4 13.6 -14.0 18.0 68 69 A H T 4 S+ 0 0 78 -24,-1.1 -1,-0.2 -21,-0.4 -23,-0.1 0.946 129.3 20.6 -75.3 -48.8 9.9 -15.1 17.8 69 70 A S T 4 S- 0 0 24 -25,-0.2 -2,-0.2 2,-0.1 -1,-0.1 0.667 87.4-132.9 -98.0 -23.0 10.1 -18.5 19.6 70 71 A G < + 0 0 36 -4,-2.0 2,-0.2 1,-0.3 -3,-0.1 0.495 60.8 135.7 76.6 4.1 13.3 -18.3 21.7 71 72 A Y - 0 0 61 13,-0.1 -5,-2.9 -6,-0.1 2,-0.4 -0.500 54.9-111.1 -86.7 156.5 14.3 -21.8 20.4 72 73 A F B -E 65 0A 35 13,-0.8 -7,-0.2 -7,-0.2 2,-0.2 -0.745 21.8-111.6 -98.8 134.5 17.9 -22.6 19.3 73 74 A L - 0 0 0 -9,-2.9 2,-0.4 -2,-0.4 -9,-0.3 -0.432 49.5-177.5 -58.9 122.6 19.1 -23.3 15.8 74 75 A T B -N 83 0C 2 9,-3.0 9,-2.2 -2,-0.2 2,-0.5 -0.979 29.9-143.0-136.6 137.3 20.2 -26.9 15.9 75 76 A A + 0 0 1 18,-2.2 7,-0.1 -2,-0.4 3,-0.1 -0.869 20.4 173.5 -94.1 131.6 21.7 -29.6 13.6 76 77 A T + 0 0 79 -2,-0.5 2,-0.3 5,-0.4 -1,-0.1 0.655 61.5 7.2-110.6 -24.1 20.3 -33.1 14.1 77 78 A K S > S- 0 0 135 3,-0.2 3,-1.2 4,-0.2 59,-0.4 -0.990 82.6 -87.8-161.8 151.4 21.8 -35.2 11.4 78 79 A E T 3 S+ 0 0 102 -2,-0.3 59,-0.2 1,-0.3 40,-0.1 -0.353 111.3 3.4 -65.1 139.0 24.4 -35.0 8.7 79 80 A N T 3 S+ 0 0 91 57,-1.7 2,-0.3 39,-0.3 -1,-0.3 0.831 108.8 122.8 54.8 40.7 23.2 -33.7 5.4 80 81 A H E < S-F 136 0A 81 -3,-1.2 56,-2.2 56,-1.2 -1,-0.2 -0.928 71.4 -85.5-131.9 152.3 19.7 -33.1 7.0 81 82 A I E -F 135 0A 25 -2,-0.3 -5,-0.4 54,-0.2 54,-0.3 -0.207 45.5-127.3 -55.2 140.5 17.4 -30.1 7.4 82 83 A V - 0 0 0 52,-2.7 -49,-2.0 -49,-0.3 2,-0.3 -0.524 30.7-177.0 -89.0 163.8 18.1 -27.9 10.5 83 84 A S E -MN 32 74C 14 -9,-2.2 -9,-3.0 -51,-0.3 -51,-0.2 -0.854 34.6-116.0-149.8 174.4 15.5 -27.1 13.1 84 85 A T E +M 31 0C 2 -53,-2.0 -54,-3.1 -2,-0.3 -53,-0.7 -0.661 47.4 163.0-121.1 71.3 14.7 -25.1 16.3 85 86 A P - 0 0 30 0, 0.0 -13,-0.8 0, 0.0 2,-0.5 -0.356 52.6 -89.0 -75.1 166.1 13.8 -27.9 18.9 86 87 A Q + 0 0 156 -15,-0.1 2,-0.3 -2,-0.1 -15,-0.1 -0.720 69.1 154.3 -67.6 126.2 13.7 -27.4 22.6 87 88 A I - 0 0 38 -2,-0.5 -15,-0.1 -3,-0.0 0, 0.0 -0.992 47.9 -91.5-159.2 149.9 17.2 -28.2 23.6 88 89 A S > - 0 0 59 -2,-0.3 3,-1.7 1,-0.1 6,-0.2 -0.395 29.3-130.4 -63.9 139.3 19.8 -27.5 26.3 89 90 A P T 3 S+ 0 0 59 0, 0.0 -1,-0.1 0, 0.0 5,-0.0 0.655 108.8 58.9 -63.5 -16.5 22.1 -24.5 25.7 90 91 A T T 3 S+ 0 0 96 5,-0.0 5,-0.1 3,-0.0 -2,-0.1 0.500 77.1 110.2 -89.1 -6.1 25.1 -26.7 26.6 91 92 A D X - 0 0 59 -3,-1.7 3,-2.0 1,-0.2 4,-0.1 -0.564 64.8-146.1 -71.6 122.5 24.3 -29.2 23.7 92 93 A P G > S+ 0 0 51 0, 0.0 3,-1.6 0, 0.0 22,-0.8 0.767 94.6 68.9 -65.2 -23.2 27.0 -28.8 21.2 93 94 A S G 3 S+ 0 0 16 1,-0.3 -18,-2.2 21,-0.2 -2,-0.1 0.637 101.3 49.0 -65.3 -16.8 24.6 -29.5 18.3 94 95 A A G < S+ 0 0 0 -3,-2.0 -30,-0.4 -20,-0.2 2,-0.3 0.280 97.4 88.8-100.9 7.0 23.0 -26.1 19.2 95 96 A R < - 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