==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING PROTEIN 30-SEP-05 2D3R . COMPND 2 MOLECULE: LECTIN ALPHA CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: CRATYLIA ARGENTEA; . AUTHOR F.GALLEGO DEL SOL,B.S.CAVADA,J.J.CALVETE . 944 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32661.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 634 67.2 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 . 403 42.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 8 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 6 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 103 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 15 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 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 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 . 1 15 1 4 10 6 16 1 3 1 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 6 0 0 0 0 3 1 0 0 0 0 0 0 0 2 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 A 0 0 146 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 158.2 31.6 15.9 40.9 2 2 A D - 0 0 49 229,-0.1 2,-0.7 217,-0.1 212,-0.0 -0.660 360.0-139.8 -73.5 124.6 28.5 16.6 38.8 3 3 A T - 0 0 42 -2,-0.5 212,-0.9 2,-0.0 2,-0.4 -0.792 31.1-177.4 -87.1 114.2 25.4 16.9 41.1 4 4 A I E +A 214 0A 1 -2,-0.7 26,-2.3 210,-0.2 2,-0.4 -0.936 24.6 176.6-123.4 135.6 22.6 15.1 39.1 5 5 A V E +AB 213 29A 2 208,-2.2 208,-2.5 -2,-0.4 2,-0.3 -0.987 30.6 163.7-128.9 124.3 18.9 14.6 39.8 6 6 A A E -AB 212 28A 2 22,-2.5 22,-2.5 -2,-0.4 2,-0.4 -0.897 42.1-135.5-143.0 166.6 17.2 12.8 36.9 7 7 A V E -AB 211 27A 5 204,-3.1 204,-1.8 -2,-0.3 2,-0.3 -0.986 32.1-154.8-124.7 121.0 14.2 10.9 35.5 8 8 A E E -AB 210 26A 0 18,-2.4 18,-1.9 -2,-0.4 2,-0.6 -0.739 22.4-161.5-103.6 138.2 15.2 8.0 33.4 9 9 A L E -AB 209 25A 1 200,-2.9 200,-0.8 -2,-0.3 2,-0.5 -0.717 28.8-163.4-110.5 77.8 13.3 6.2 30.6 10 10 A D E +AB 208 24A 1 14,-1.3 14,-1.8 -2,-0.6 198,-0.3 -0.495 18.8 177.2 -78.5 108.9 15.5 3.1 30.8 11 11 A T + 0 0 3 196,-1.7 194,-0.3 -2,-0.5 197,-0.2 0.465 66.9 51.1 -94.6 -4.1 15.1 1.0 27.6 12 12 A Y S S- 0 0 70 195,-0.9 2,-0.9 10,-0.1 -1,-0.2 -0.974 78.1-132.8-137.4 124.3 17.6 -1.7 28.5 13 13 A P - 0 0 28 0, 0.0 2,-1.1 0, 0.0 3,-0.1 -0.648 18.6-175.8 -79.3 103.5 17.7 -3.7 31.8 14 14 A N > > + 0 0 15 -2,-0.9 3,-2.2 1,-0.2 5,-1.6 -0.741 4.2 178.9 -92.6 80.6 21.3 -3.8 33.2 15 15 A T G > 5S+ 0 0 85 -2,-1.1 3,-1.2 1,-0.3 -1,-0.2 0.753 72.0 72.3 -56.1 -25.6 20.6 -6.1 36.1 16 16 A D G 3 5S+ 0 0 101 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.0 0.612 103.4 38.5 -69.0 -16.6 24.3 -6.0 37.0 17 17 A I G < 5S- 0 0 7 -3,-2.2 -1,-0.3 2,-0.1 -2,-0.2 0.234 132.3 -82.3-118.6 13.8 24.0 -2.4 38.2 18 18 A G T < 5S+ 0 0 53 -3,-1.2 -3,-0.2 1,-0.3 -2,-0.1 0.420 78.0 145.2 106.0 0.8 20.6 -2.6 39.9 19 19 A D < - 0 0 12 -5,-1.6 -1,-0.3 1,-0.1 4,-0.1 -0.446 54.6-112.6 -60.6 135.5 18.1 -2.3 37.0 20 20 A P - 0 0 22 0, 0.0 2,-1.9 0, 0.0 -1,-0.1 -0.333 37.9 -97.0 -61.9 162.2 15.0 -4.4 37.4 21 21 A N S S+ 0 0 134 -6,-0.1 2,-0.3 -7,-0.1 -2,-0.0 -0.153 101.2 55.4 -78.3 45.1 14.8 -7.2 34.9 22 22 A Y S S- 0 0 75 -2,-1.9 2,-0.2 -10,-0.1 -8,-0.1 -0.984 98.2 -77.4-162.9 161.2 12.5 -5.1 32.7 23 23 A Q + 0 0 39 -2,-0.3 17,-3.1 -12,-0.1 2,-0.3 -0.475 66.2 161.7 -60.7 136.7 12.1 -1.8 30.8 24 24 A H E -BC 10 39A 0 -14,-1.8 -14,-1.3 15,-0.3 2,-0.3 -0.963 42.7-117.7-154.3 163.0 11.3 0.8 33.4 25 25 A I E -BC 9 38A 1 13,-1.8 13,-1.7 -2,-0.3 2,-0.3 -0.875 37.6-174.0-102.1 150.0 11.1 4.5 34.5 26 26 A G E -BC 8 37A 0 -18,-1.9 -18,-2.4 -2,-0.3 2,-0.7 -0.994 30.3-135.4-147.3 151.5 13.2 5.7 37.4 27 27 A I E -BC 7 36A 0 9,-2.2 8,-2.3 -2,-0.3 9,-0.6 -0.930 30.9-160.1-102.6 109.8 13.9 8.6 39.7 28 28 A N E -B 6 0A 0 -22,-2.5 -22,-2.5 -2,-0.7 2,-0.5 -0.803 10.2-172.5 -97.7 129.3 17.6 8.9 40.0 29 29 A I E S-B 5 0A 12 -2,-0.5 -24,-0.2 4,-0.4 4,-0.1 -0.928 74.2 -37.0-124.9 108.4 19.2 10.8 42.9 30 30 A K S S+ 0 0 118 -26,-2.3 2,-0.3 -2,-0.5 -25,-0.1 0.542 129.0 64.1 58.7 12.7 22.9 11.4 42.7 31 31 A S S S- 0 0 8 -27,-0.1 -2,-0.3 205,-0.1 -25,-0.1 -0.989 79.8-127.7-163.9 142.1 23.2 7.9 41.2 32 32 A I S S+ 0 0 2 -2,-0.3 2,-1.0 202,-0.2 203,-0.1 0.680 92.6 93.6 -66.7 -16.5 22.3 5.7 38.2 33 33 A R S S- 0 0 112 -4,-0.1 -4,-0.4 203,-0.1 -15,-0.1 -0.716 87.3-128.3 -78.9 102.3 20.9 3.3 40.8 34 34 A S - 0 0 32 -2,-1.0 -6,-0.2 1,-0.1 3,-0.2 -0.200 11.1-148.3 -64.6 138.4 17.3 4.5 40.9 35 35 A K S S+ 0 0 99 -8,-2.3 2,-0.3 1,-0.3 -1,-0.1 0.645 89.0 5.2 -78.5 -20.4 15.7 5.3 44.2 36 36 A A E S+C 27 0A 26 -9,-0.6 -9,-2.2 41,-0.1 -1,-0.3 -0.858 72.7 178.5-162.3 131.6 12.3 4.1 42.8 37 37 A T E -C 26 0A 47 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.2 -0.845 8.7-160.7-128.1 167.2 11.4 2.5 39.5 38 38 A T E -C 25 0A 48 -13,-1.7 -13,-1.8 -2,-0.3 2,-0.1 -0.989 36.0 -90.2-147.8 148.5 8.3 1.1 37.9 39 39 A R E -C 24 0A 141 -2,-0.3 2,-0.4 -15,-0.2 -15,-0.3 -0.395 47.8-179.4 -63.0 127.2 7.6 -1.4 35.0 40 40 A W - 0 0 8 -17,-3.1 2,-0.7 -30,-0.1 -17,-0.1 -0.996 19.4-148.4-131.4 137.2 7.4 0.5 31.6 41 41 A N - 0 0 97 -2,-0.4 2,-0.1 -19,-0.1 -30,-0.1 -0.881 15.4-143.2-111.0 106.9 6.8 -1.0 28.2 42 42 A V - 0 0 19 -2,-0.7 2,-0.7 1,-0.1 -19,-0.1 -0.373 7.8-145.3 -61.7 136.8 8.5 0.9 25.4 43 43 A Q > - 0 0 58 3,-0.2 3,-1.8 -2,-0.1 155,-0.3 -0.913 19.4-131.8-107.5 105.5 6.4 1.0 22.2 44 44 A D T 3 S+ 0 0 67 -2,-0.7 155,-0.3 1,-0.3 3,-0.1 -0.204 86.4 4.6 -51.3 135.2 8.7 0.8 19.2 45 45 A G T 3 S+ 0 0 34 153,-1.8 2,-0.3 1,-0.2 -1,-0.3 0.389 104.6 118.4 71.9 -6.3 8.1 3.5 16.6 46 46 A K < - 0 0 115 -3,-1.8 152,-0.7 152,-0.4 2,-0.5 -0.716 66.4-121.6 -97.9 146.8 5.4 5.2 18.7 47 47 A V E -H 197 0B 59 -2,-0.3 150,-0.2 150,-0.2 2,-0.2 -0.745 35.4-172.0 -86.2 121.3 5.5 8.7 20.1 48 48 A G E -H 196 0B 0 148,-1.9 148,-2.3 -2,-0.5 2,-0.4 -0.665 13.1-142.9-112.8 168.1 5.3 8.9 23.9 49 49 A T E -HI 195 66B 8 17,-2.9 17,-2.7 146,-0.2 2,-0.3 -0.974 8.8-166.5-130.1 142.6 4.9 11.7 26.4 50 50 A A E -HI 194 65B 3 144,-2.2 144,-1.4 -2,-0.4 2,-0.4 -0.965 2.7-162.5-125.5 148.6 6.4 12.1 29.9 51 51 A H E -HI 193 64B 9 13,-2.5 13,-1.7 -2,-0.3 2,-0.4 -0.989 5.8-167.0-133.2 125.9 5.4 14.6 32.6 52 52 A I E -HI 192 63B 1 140,-2.8 140,-2.1 -2,-0.4 2,-0.3 -0.919 8.4-178.6-117.3 136.9 7.6 15.5 35.6 53 53 A S E +HI 191 62B 15 9,-2.7 9,-2.3 -2,-0.4 2,-0.3 -0.987 10.7 160.5-138.4 145.5 6.5 17.3 38.7 54 54 A Y E -H 190 0B 16 136,-1.8 136,-2.0 -2,-0.3 2,-0.3 -0.968 8.6-177.2-160.2 158.9 7.9 18.7 42.0 55 55 A N E >> -H 189 0B 15 -2,-0.3 4,-2.3 134,-0.2 5,-0.5 -0.971 29.1-133.0-161.8 126.8 7.0 21.2 44.6 56 56 A S T 45S+ 0 0 17 132,-2.3 26,-0.1 -2,-0.3 133,-0.1 0.618 105.4 49.6 -72.6 -11.7 9.1 22.1 47.7 57 57 A V T 45S+ 0 0 19 131,-0.2 -1,-0.2 1,-0.1 717,-0.1 0.883 115.3 40.2 -90.0 -48.8 6.2 21.8 50.1 58 58 A A T 45S- 0 0 9 2,-0.1 -2,-0.2 715,-0.1 3,-0.1 0.822 90.3-158.2 -65.4 -34.5 4.9 18.4 48.9 59 59 A K T <5 + 0 0 86 -4,-2.3 20,-1.5 1,-0.2 2,-0.4 0.838 47.7 125.1 49.8 38.6 8.6 17.3 48.7 60 60 A R E < - J 0 78B 36 -5,-0.5 2,-0.6 18,-0.2 18,-0.2 -0.981 47.7-158.2-125.5 123.3 7.5 14.5 46.3 61 61 A L E + J 0 77B 3 16,-2.5 16,-2.7 -2,-0.4 2,-0.3 -0.868 23.0 175.8 -94.5 123.0 9.1 14.2 42.9 62 62 A S E -IJ 53 76B 1 -9,-2.3 -9,-2.7 -2,-0.6 2,-0.3 -0.941 15.3-168.4-130.1 153.1 6.9 12.3 40.5 63 63 A A E -IJ 52 75B 3 12,-3.0 12,-2.2 -2,-0.3 2,-0.3 -0.963 1.5-168.4-133.9 152.9 6.9 11.2 36.8 64 64 A I E -IJ 51 74B 7 -13,-1.7 -13,-2.5 -2,-0.3 2,-0.4 -0.997 3.2-167.9-138.8 139.0 4.3 9.7 34.4 65 65 A V E +IJ 50 73B 2 8,-2.4 8,-1.8 -2,-0.3 2,-0.4 -0.979 12.1 173.6-134.4 125.0 4.9 8.3 31.0 66 66 A S E -IJ 49 72B 6 -17,-2.7 -17,-2.9 -2,-0.4 6,-0.2 -0.959 19.1-155.6-133.1 144.1 2.2 7.5 28.5 67 67 A Y - 0 0 8 4,-2.2 -19,-0.2 -2,-0.4 -2,-0.0 -0.732 46.0 -84.7-101.6 160.7 1.8 6.4 24.9 68 68 A P S S+ 0 0 91 0, 0.0 2,-0.5 0, 0.0 3,-0.3 -0.312 109.4 43.4 -57.8 161.0 -1.2 7.0 22.8 69 69 A G S S- 0 0 83 1,-0.2 -3,-0.0 -3,-0.1 0, 0.0 -0.876 123.7 -61.1 92.4-134.7 -3.8 4.2 23.4 70 70 A G S S+ 0 0 64 -2,-0.5 -1,-0.2 2,-0.0 0, 0.0 0.735 89.1 120.8-116.2 -32.4 -4.0 3.6 27.2 71 71 A S + 0 0 60 -3,-0.3 -4,-2.2 -5,-0.1 2,-0.3 -0.071 31.9 155.0 -54.1 124.7 -0.6 2.4 28.5 72 72 A S E -J 66 0B 60 -6,-0.2 2,-0.3 2,-0.0 -6,-0.2 -0.977 22.0-165.0-145.5 153.1 0.9 4.6 31.2 73 73 A A E -J 65 0B 11 -8,-1.8 -8,-2.4 -2,-0.3 2,-0.3 -0.992 6.5-166.6-143.6 136.4 3.4 4.2 34.1 74 74 A T E -J 64 0B 63 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.887 5.3-176.0-121.3 153.1 4.1 6.4 37.0 75 75 A V E -J 63 0B 7 -12,-2.2 -12,-3.0 -2,-0.3 2,-0.3 -0.988 4.7-175.0-145.7 153.0 6.8 6.6 39.6 76 76 A S E -J 62 0B 37 -2,-0.3 2,-0.4 -14,-0.2 -14,-0.2 -0.996 5.7-171.8-150.8 141.7 7.3 8.8 42.6 77 77 A Y E -J 61 0B 77 -16,-2.7 -16,-2.5 -2,-0.3 2,-0.6 -0.992 23.4-129.4-144.9 133.8 9.9 9.5 45.3 78 78 A D E +J 60 0B 93 -2,-0.4 2,-0.3 -18,-0.2 -18,-0.2 -0.730 48.7 139.8 -85.5 119.9 9.9 11.5 48.5 79 79 A V - 0 0 21 -20,-1.5 2,-0.9 -2,-0.6 -2,-0.1 -0.971 51.9-128.4-159.6 142.8 12.9 13.8 48.6 80 80 A D >> - 0 0 41 -2,-0.3 3,-1.3 1,-0.1 4,-0.7 -0.828 18.0-169.1 -93.8 98.4 13.7 17.4 49.6 81 81 A L H 3> S+ 0 0 5 -2,-0.9 4,-2.0 1,-0.3 -1,-0.1 0.531 80.7 76.1 -66.0 -6.7 15.5 18.8 46.6 82 82 A N H 34 S+ 0 0 72 1,-0.2 -1,-0.3 2,-0.2 99,-0.1 0.905 101.3 41.5 -63.1 -43.3 16.5 21.8 48.9 83 83 A N H <4 S+ 0 0 130 -3,-1.3 -2,-0.2 1,-0.1 -1,-0.2 0.708 119.8 44.7 -75.4 -20.3 19.1 19.4 50.4 84 84 A I H < S+ 0 0 36 -4,-0.7 -2,-0.2 2,-0.1 -3,-0.1 0.882 102.9 55.1 -97.1 -43.0 20.2 17.9 47.1 85 85 A L S < S- 0 0 8 -4,-2.0 4,-0.1 1,-0.1 -81,-0.0 -0.613 79.1-107.1-100.6 151.2 20.6 20.6 44.5 86 86 A P - 0 0 45 0, 0.0 94,-0.2 0, 0.0 -1,-0.1 -0.361 40.5-107.7 -58.2 152.7 22.7 23.8 44.2 87 87 A E S S+ 0 0 62 93,-0.1 93,-1.5 1,-0.1 94,-1.2 0.791 110.1 42.8 -53.5 -31.3 20.6 27.0 44.5 88 88 A W E S+D 179 0A 23 91,-0.2 128,-0.5 92,-0.2 2,-0.2 -0.971 74.5 153.5-125.1 136.8 21.3 27.4 40.7 89 89 A V E -DE 178 215A 1 89,-2.3 89,-3.2 -2,-0.4 2,-0.3 -0.801 34.3-122.2-143.6 179.7 21.1 24.7 38.1 90 90 A R E - 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