==== 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 SUGAR BINDING PROTEIN 18-DEC-00 1HQL . COMPND 2 MOLECULE: LECTIN; . SOURCE 2 ORGANISM_SCIENTIFIC: GRIFFONIA SIMPLICIFOLIA; . AUTHOR W.TEMPEL,L.A.LIPSCOMB,J.P.ROSE,R.J.WOODS . 472 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19382.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 308 65.3 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 . 193 40.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 41 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 17 3.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 3 4 2 3 5 4 6 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 0 0 2 2 0 0 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 4 A S 0 0 99 0, 0.0 2,-0.4 0, 0.0 234,-0.2 0.000 360.0 360.0 360.0 74.4 41.4 -12.8 52.9 2 5 A V + 0 0 20 54,-0.1 232,-2.1 51,-0.0 2,-0.3 -0.889 360.0 161.4-114.8 142.4 40.2 -10.1 50.6 3 6 A S E +A 233 0A 81 -2,-0.4 2,-0.3 230,-0.3 230,-0.3 -0.987 7.8 172.1-158.7 149.8 42.1 -8.5 47.7 4 7 A F E -A 232 0A 12 228,-2.7 228,-2.7 -2,-0.3 2,-0.4 -0.986 14.7-150.6-156.5 155.2 41.5 -6.4 44.6 5 8 A T E -A 231 0A 95 -2,-0.3 226,-0.3 226,-0.2 3,-0.1 -0.983 9.1-177.7-137.5 126.0 43.4 -4.6 41.9 6 9 A F E +A 230 0A 21 224,-2.7 224,-2.7 -2,-0.4 3,-0.1 -0.880 3.7 179.4-121.3 96.6 42.5 -1.5 39.9 7 10 A P S S- 0 0 98 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.751 81.6 -24.7 -65.5 -21.0 45.3 -0.7 37.4 8 11 A N - 0 0 41 222,-0.1 21,-0.2 -3,-0.1 3,-0.2 -0.924 65.4-109.1-170.5-178.2 42.9 2.1 36.4 9 12 A F S S+ 0 0 3 19,-2.5 19,-0.5 -2,-0.3 20,-0.2 -0.061 76.1 113.6-121.6 34.6 39.2 2.8 36.5 10 13 A W + 0 0 30 18,-0.4 -1,-0.1 17,-0.2 18,-0.1 0.805 63.8 75.7 -72.1 -32.3 38.4 2.6 32.8 11 14 A S S S- 0 0 68 -3,-0.2 2,-1.9 1,-0.1 17,-0.1 -0.209 105.6 -86.7 -75.0 171.8 36.2 -0.5 33.3 12 15 A D > + 0 0 129 1,-0.2 3,-0.8 3,-0.0 -1,-0.1 -0.558 49.4 173.5 -81.4 79.6 32.7 -0.5 34.8 13 16 A V G >> + 0 0 5 -2,-1.9 4,-1.9 -4,-0.2 3,-1.0 0.251 45.7 112.3 -71.8 15.9 33.8 -0.7 38.4 14 17 A E G 34 S+ 0 0 138 1,-0.3 2,-0.9 2,-0.2 -1,-0.2 0.915 73.4 49.1 -55.6 -48.5 30.1 -0.2 39.3 15 18 A D G <4 S+ 0 0 153 -3,-0.8 -1,-0.3 1,-0.2 3,-0.1 -0.265 120.2 36.4 -89.3 48.2 29.6 -3.7 40.7 16 19 A S T <4 S+ 0 0 41 -3,-1.0 36,-2.8 -2,-0.9 2,-0.4 0.289 108.4 59.2-165.1 -25.1 32.8 -3.5 42.9 17 20 A I E < -H 51 0B 4 -4,-1.9 2,-0.7 34,-0.2 -1,-0.3 -0.979 64.4-145.9-125.4 130.6 33.0 0.1 44.2 18 21 A I E -H 50 0B 53 32,-3.7 32,-2.5 -2,-0.4 2,-0.5 -0.840 18.5-151.1 -94.5 116.1 30.4 2.0 46.2 19 22 A F E -H 49 0B 58 -2,-0.7 2,-0.3 30,-0.2 30,-0.2 -0.785 14.9-172.4 -92.5 126.3 30.4 5.6 45.3 20 23 A Q E > -H 48 0B 18 28,-2.9 3,-1.8 -2,-0.5 28,-1.8 -0.854 52.0 -16.6-117.1 150.2 29.4 8.1 48.1 21 24 A G E 3 S-H 47 0B 51 -2,-0.3 26,-0.3 1,-0.3 12,-0.1 -0.331 131.4 -17.6 58.7-133.9 28.8 11.8 47.9 22 25 A D T 3 S+ 0 0 36 24,-2.8 -1,-0.3 10,-0.2 25,-0.2 0.603 100.5 131.2 -77.9 -14.5 30.3 13.3 44.7 23 26 A A < + 0 0 5 -3,-1.8 2,-0.3 23,-0.2 9,-0.2 -0.004 22.7 130.9 -46.3 140.9 32.6 10.3 44.0 24 27 A N E -B 31 0A 94 7,-1.2 7,-2.9 9,-0.1 2,-0.3 -0.957 55.9 -82.0-173.6 174.8 32.6 8.8 40.5 25 28 A T E -B 30 0A 43 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.762 35.7-172.8 -96.3 145.7 34.9 7.7 37.8 26 29 A T E > -B 29 0A 34 3,-2.9 3,-1.3 -2,-0.3 -17,-0.1 -0.919 65.2 -33.0-141.6 109.9 36.4 10.2 35.3 27 30 A A T 3 S- 0 0 8 -2,-0.4 -17,-0.2 1,-0.3 3,-0.1 0.907 127.5 -37.0 46.8 57.2 38.5 9.1 32.3 28 31 A G T 3 S+ 0 0 6 -19,-0.5 -19,-2.5 1,-0.3 -18,-0.4 0.508 126.8 86.4 79.4 2.3 40.0 6.1 33.9 29 32 A T E < S-B 26 0A 7 -3,-1.3 -3,-2.9 -20,-0.2 2,-0.5 -0.775 79.1-108.8-128.6 173.3 40.4 7.7 37.3 30 33 A L E -BC 25 227A 1 197,-2.6 197,-2.3 -5,-0.2 2,-0.6 -0.922 26.2-169.0-104.1 127.2 38.4 8.2 40.5 31 34 A Q E -BC 24 226A 17 -7,-2.9 -7,-1.2 -2,-0.5 195,-0.2 -0.952 2.6-172.9-116.1 107.0 37.3 11.8 41.1 32 35 A L + 0 0 0 193,-0.6 2,-0.3 -2,-0.6 -10,-0.2 0.881 69.2 43.3 -68.5 -40.0 35.9 12.1 44.6 33 36 A C S S- 0 0 12 192,-0.3 2,-0.1 -11,-0.1 14,-0.1 -0.852 87.2-112.1-112.8 145.6 34.6 15.7 44.3 34 37 A K - 0 0 118 -2,-0.3 8,-2.4 12,-0.1 2,-0.3 -0.343 23.3-163.6 -76.8 152.7 32.7 17.3 41.5 35 38 A T B -N 41 0C 38 6,-0.3 189,-0.0 -2,-0.1 5,-0.0 -0.922 22.6-112.7-129.1 154.1 33.8 20.0 39.1 36 39 A N > - 0 0 47 4,-2.8 3,-2.0 -2,-0.3 -1,-0.1 -0.097 43.5 -87.1 -77.7-176.4 31.8 22.2 36.8 37 40 A Q T 3 S+ 0 0 163 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.595 129.3 59.9 -69.1 -8.6 31.7 22.2 33.0 38 41 A Y T 3 S- 0 0 183 2,-0.2 -1,-0.3 0, 0.0 -2,-0.0 0.291 119.7-109.4 -99.9 9.3 34.7 24.6 33.2 39 42 A G S < S+ 0 0 33 -3,-2.0 -2,-0.1 1,-0.3 0, 0.0 0.540 73.9 140.8 76.4 6.1 36.8 22.2 35.1 40 43 A T - 0 0 50 1,-0.1 -4,-2.8 -5,-0.0 -1,-0.3 -0.706 54.5-121.1 -85.6 125.2 36.5 24.3 38.3 41 44 A P B -N 35 0C 6 0, 0.0 -6,-0.3 0, 0.0 -7,-0.1 -0.414 27.6-119.0 -67.1 136.9 36.0 22.3 41.5 42 45 A L - 0 0 70 -8,-2.4 3,-0.4 -2,-0.1 2,-0.1 -0.364 30.0-107.4 -73.3 154.8 32.8 23.0 43.4 43 46 A Q S S+ 0 0 97 1,-0.2 176,-0.2 -2,-0.1 175,-0.1 -0.415 90.6 10.2 -81.9 157.3 33.0 24.3 47.0 44 47 A W S S+ 0 0 125 174,-2.3 2,-0.3 176,-0.2 -1,-0.2 0.863 89.6 147.7 39.6 58.6 32.2 22.3 50.1 45 48 A S - 0 0 10 -3,-0.4 172,-2.1 173,-0.1 57,-0.5 -0.753 25.3-174.4-115.3 162.3 32.0 19.0 48.4 46 49 A A E + I 0 216B 11 -2,-0.3 -24,-2.8 170,-0.2 2,-0.3 -0.983 6.0 169.4-155.6 150.8 32.9 15.5 49.6 47 50 A G E -HI 21 215B 0 168,-1.9 168,-1.9 -2,-0.3 2,-0.3 -0.983 9.9-164.9-160.3 153.1 33.0 12.0 48.1 48 51 A R E -HI 20 214B 2 -28,-1.8 -28,-2.9 -2,-0.3 2,-0.5 -0.982 11.0-152.6-143.3 150.7 34.3 8.5 48.9 49 52 A A E -HI 19 213B 0 164,-2.3 164,-1.6 -2,-0.3 2,-0.4 -0.953 21.2-175.7-126.9 106.7 34.9 5.3 47.0 50 53 A L E -HI 18 212B 0 -32,-2.5 -32,-3.7 -2,-0.5 2,-0.4 -0.856 29.7-115.1-106.5 140.9 34.6 2.2 49.1 51 54 A Y E -H 17 0B 30 160,-2.5 160,-0.3 -2,-0.4 -34,-0.2 -0.604 24.5-133.4 -74.3 129.7 35.3 -1.3 48.0 52 55 A S S S+ 0 0 27 -36,-2.8 -1,-0.1 -2,-0.4 -35,-0.1 0.878 84.6 75.0 -46.5 -57.6 32.1 -3.4 47.9 53 56 A D S S- 0 0 91 -37,-0.3 158,-0.3 1,-0.1 -2,-0.1 -0.460 83.1-129.0 -66.7 129.0 33.4 -6.5 49.7 54 57 A P - 0 0 56 0, 0.0 2,-0.4 0, 0.0 156,-0.2 -0.350 16.4-131.9 -75.5 158.3 33.9 -6.0 53.5 55 58 A V E -O 209 0D 3 154,-3.5 154,-2.4 -2,-0.1 2,-1.0 -0.936 12.0-126.5-116.4 135.4 37.2 -6.9 55.1 56 59 A Q E +O 208 0D 72 -2,-0.4 152,-0.2 152,-0.2 -54,-0.1 -0.716 30.8 178.4 -81.6 104.4 37.5 -9.1 58.3 57 60 A L - 0 0 0 150,-2.6 9,-3.7 -2,-1.0 2,-0.3 0.946 54.5 -31.1 -72.4 -53.1 39.6 -6.8 60.5 58 61 A W - 0 0 38 149,-0.9 2,-0.3 7,-0.2 -1,-0.2 -0.885 49.1-132.4-154.5-174.7 39.8 -8.9 63.7 59 62 A D - 0 0 40 -2,-0.3 5,-0.5 1,-0.2 143,-0.0 -0.893 10.5-140.5-142.4 169.2 38.2 -11.5 66.0 60 63 A N S > S+ 0 0 113 -2,-0.3 3,-1.2 3,-0.1 -1,-0.2 0.791 93.8 23.8 -98.9 -89.3 37.5 -11.9 69.7 61 64 A K T 3 S+ 0 0 196 1,-0.3 -2,-0.0 2,-0.1 0, 0.0 0.753 124.8 57.0 -51.2 -24.9 38.0 -15.4 71.2 62 65 A T T 3 S- 0 0 97 2,-0.1 -1,-0.3 -4,-0.0 -2,-0.1 0.856 92.3-155.5 -75.7 -36.5 40.3 -16.1 68.2 63 66 A E < + 0 0 142 -3,-1.2 -3,-0.1 1,-0.1 2,-0.1 0.980 43.1 124.9 56.5 84.6 42.6 -13.2 69.0 64 67 A S - 0 0 45 -5,-0.5 2,-0.2 2,-0.0 -1,-0.1 -0.461 46.1-151.3-173.8 91.9 44.2 -12.4 65.7 65 68 A V - 0 0 13 111,-0.5 -7,-0.2 -7,-0.2 111,-0.1 -0.492 30.2-117.6 -69.3 132.1 44.1 -8.9 64.1 66 69 A A - 0 0 0 -9,-3.7 2,-0.3 -2,-0.2 170,-0.3 -0.338 20.0-136.6 -72.6 151.4 44.3 -9.1 60.3 67 70 A S E +D 235 0A 36 168,-2.8 168,-2.8 108,-0.2 2,-0.3 -0.798 26.7 176.2-104.4 149.4 47.2 -7.6 58.3 68 71 A F E -DE 234 174A 10 106,-1.8 106,-2.5 -2,-0.3 2,-0.3 -0.976 18.4-159.1-150.3 164.1 46.6 -5.7 55.1 69 72 A Y E -DE 233 173A 58 164,-2.8 164,-2.4 -2,-0.3 2,-0.3 -0.996 10.2-176.7-144.8 139.0 48.4 -3.7 52.5 70 73 A T E -DE 232 172A 0 102,-2.7 102,-2.7 -2,-0.3 2,-0.4 -0.999 3.4-172.5-140.4 144.9 47.1 -1.1 50.0 71 74 A E E +DE 231 171A 61 160,-2.3 160,-2.7 -2,-0.3 2,-0.3 -0.999 13.1 158.5-137.6 135.6 48.7 0.9 47.2 72 75 A F E -DE 230 170A 1 98,-2.2 98,-3.6 -2,-0.4 2,-0.3 -0.994 26.7-139.3-154.5 155.7 47.3 3.8 45.1 73 76 A T E +DE 229 169A 21 156,-1.5 155,-1.3 -2,-0.3 156,-0.9 -0.878 23.2 176.4-115.5 148.5 48.4 6.7 42.9 74 77 A F E -DE 227 168A 0 94,-1.9 94,-2.7 -2,-0.3 2,-0.4 -0.986 18.8-145.4-151.5 155.2 46.9 10.1 42.9 75 78 A F E -D 226 0A 8 151,-2.1 151,-1.8 -2,-0.3 2,-0.8 -0.974 10.9-143.9-124.5 136.8 47.4 13.5 41.2 76 79 A L E -D 225 0A 9 90,-0.5 2,-1.0 -2,-0.4 89,-0.2 -0.878 11.8-159.7-103.1 103.5 46.8 16.9 42.8 77 80 A K E +D 224 0A 68 147,-2.2 147,-1.3 -2,-0.8 2,-0.4 -0.755 20.9 180.0 -84.3 104.3 45.4 19.2 40.1 78 81 A I E +D 223 0A 38 -2,-1.0 145,-0.2 145,-0.2 144,-0.1 -0.928 25.1 167.6-113.8 132.6 46.2 22.6 41.6 79 82 A T + 0 0 99 143,-1.9 2,-0.3 -2,-0.4 144,-0.1 0.216 67.0 34.0-123.4 9.7 45.4 25.9 40.0 80 83 A G S S- 0 0 19 142,-0.7 142,-0.0 140,-0.0 140,-0.0 -0.870 82.4-101.2-151.2-175.2 46.0 28.2 43.0 81 84 A N S S+ 0 0 134 -2,-0.3 82,-0.0 1,-0.2 -3,-0.0 0.465 107.6 56.9 -95.8 -2.9 48.0 28.8 46.1 82 85 A G + 0 0 5 2,-0.1 140,-0.4 47,-0.0 -1,-0.2 -0.413 68.2 176.6-125.9 59.7 45.4 27.6 48.6 83 86 A P - 0 0 0 0, 0.0 2,-0.3 0, 0.0 -5,-0.1 -0.378 23.7-136.5 -64.8 138.6 44.5 23.9 47.7 84 87 A A - 0 0 7 2,-0.1 139,-0.3 -2,-0.1 134,-0.3 -0.973 42.6 -17.9-159.1 151.3 42.1 22.3 50.1 85 88 A D - 0 0 6 -2,-0.3 43,-1.6 132,-0.2 44,-0.5 -0.972 64.5-153.6-106.2 -14.8 41.3 20.0 51.7 86 89 A G E -JK 127 216B 0 130,-0.8 130,-1.1 41,-0.2 2,-0.3 -0.915 20.7 -85.7 125.2-151.4 43.1 16.9 50.5 87 90 A L E -JK 126 215B 0 39,-1.4 39,-2.6 -2,-0.3 2,-0.3 -0.912 28.1-161.3-152.2 176.6 42.3 13.2 50.6 88 91 A A E -JK 125 214B 0 126,-2.2 126,-2.9 -2,-0.3 2,-0.4 -0.984 19.3-132.3-165.8 153.5 42.5 10.1 52.8 89 92 A F E +JK 124 213B 2 35,-2.3 35,-2.5 -2,-0.3 2,-0.3 -0.881 42.5 169.4-105.1 141.6 42.5 6.3 52.9 90 93 A F E -JK 123 212B 0 122,-2.5 122,-1.9 -2,-0.4 2,-0.4 -0.959 34.5-140.0-152.0 168.9 40.3 4.9 55.6 91 94 A L E +JK 122 211B 4 31,-2.3 31,-1.8 -2,-0.3 120,-0.2 -0.996 34.1 151.6-130.8 135.4 38.5 1.9 57.2 92 95 A A E - K 0 210B 1 118,-2.1 118,-3.3 -2,-0.4 29,-0.2 -0.971 51.7 -63.5-157.1 166.0 35.0 2.2 58.6 93 96 A P > - 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