==== 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 01-OCT-05 2D3S . COMPND 2 MOLECULE: BASIC AGGLUTININ; . SOURCE 2 ORGANISM_SCIENTIFIC: PSOPHOCARPUS TETRAGONOLOBUS; . AUTHOR K.A.KULKARNI,S.SINHA,S.KATIYAR,A.SUROLIA,M.VIJAYAN,K.SUGUNA . 952 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36990.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 612 64.3 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 . 391 41.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.4 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 . 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 . 94 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 64 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 24 2.5 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+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 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 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 . 5 16 0 4 8 12 7 9 4 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 . 8 0 0 0 0 4 4 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 1 A K 0 0 101 0, 0.0 234,-3.2 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 115.0 93.5 -4.3 20.4 2 2 A T E -A 234 0A 97 232,-0.2 2,-0.3 234,-0.1 232,-0.2 -0.830 360.0-172.2-118.2 155.1 97.1 -4.7 21.4 3 3 A I E +A 233 0A 59 230,-2.1 230,-2.7 -2,-0.3 2,-0.3 -0.989 11.9 165.6-145.7 137.9 100.0 -6.5 19.6 4 4 A S E +A 232 0A 81 -2,-0.3 2,-0.3 228,-0.2 228,-0.2 -0.997 10.5 178.9-155.1 150.4 103.5 -7.1 21.0 5 5 A F E -A 231 0A 19 226,-2.3 226,-3.1 -2,-0.3 2,-0.4 -0.984 8.3-160.2-148.9 155.9 106.6 -9.1 20.3 6 6 A N E -A 230 0A 96 -2,-0.3 2,-0.4 224,-0.3 224,-0.3 -0.999 5.5-168.5-141.6 139.4 110.0 -9.5 21.8 7 7 A F E +A 229 0A 16 222,-1.2 222,-2.0 -2,-0.4 3,-0.1 -0.921 7.0 178.7-130.0 102.9 113.3 -10.8 20.5 8 8 A N S S- 0 0 111 -2,-0.4 2,-0.3 220,-0.2 -1,-0.1 0.776 82.1 -13.9 -71.5 -26.5 115.9 -11.3 23.2 9 9 A Q S S- 0 0 95 -3,-0.1 2,-0.5 220,-0.1 -1,-0.2 -0.907 78.8-102.2-158.9 177.9 118.1 -12.6 20.3 10 10 A F - 0 0 1 19,-1.6 2,-0.3 -2,-0.3 19,-0.1 -0.963 25.9-155.2-121.3 127.9 117.7 -13.7 16.8 11 11 A H - 0 0 112 -2,-0.5 3,-0.4 18,-0.1 2,-0.1 -0.744 32.1 -99.7 -98.4 147.0 117.6 -17.3 15.6 12 12 A Q S S+ 0 0 114 -2,-0.3 -1,-0.1 1,-0.2 14,-0.1 -0.417 108.9 19.1 -63.9 136.6 118.5 -18.4 12.1 13 13 A N S S- 0 0 162 1,-0.2 2,-0.6 -2,-0.1 -1,-0.2 0.979 81.0-175.0 64.3 58.8 115.3 -19.0 10.1 14 14 A E > - 0 0 50 -3,-0.4 3,-1.2 1,-0.1 -1,-0.2 -0.787 18.2-155.4 -87.5 117.1 113.0 -17.0 12.3 15 15 A E T 3 S+ 0 0 91 -2,-0.6 -1,-0.1 1,-0.2 -2,-0.0 0.670 92.1 60.8 -66.8 -17.2 109.4 -17.4 11.0 16 16 A Q T 3 S+ 0 0 67 36,-0.1 36,-3.7 35,-0.1 2,-0.3 0.594 98.2 68.5 -85.8 -14.1 108.5 -14.1 12.6 17 17 A L E < -H 51 0B 14 -3,-1.2 2,-0.5 34,-0.3 34,-0.2 -0.820 65.3-151.7-110.6 150.3 111.0 -12.1 10.5 18 18 A K E -H 50 0B 93 32,-2.6 32,-2.4 -2,-0.3 2,-0.4 -0.977 18.4-158.0-119.8 111.9 111.1 -11.3 6.8 19 19 A L E -H 49 0B 67 -2,-0.5 2,-0.3 30,-0.2 30,-0.2 -0.770 9.8-171.5 -95.6 138.2 114.7 -10.8 5.6 20 20 A Q E > -H 48 0B 22 28,-2.5 3,-1.9 -2,-0.4 28,-1.7 -0.959 48.1 -24.3-132.0 148.8 115.4 -8.9 2.4 21 21 A R E 3 S-H 47 0B 139 -2,-0.3 26,-0.2 1,-0.3 13,-0.0 -0.262 128.0 -9.0 54.2-132.8 118.5 -8.3 0.3 22 22 A D T 3 S+ 0 0 35 24,-2.6 -1,-0.3 11,-0.1 25,-0.2 0.542 96.1 127.2 -73.8 -8.6 121.7 -8.7 2.3 23 23 A A < + 0 0 2 -3,-1.9 2,-0.3 23,-0.2 10,-0.2 -0.191 34.0 168.3 -52.5 138.6 120.1 -9.0 5.7 24 24 A R E -B 32 0A 131 8,-2.4 8,-3.3 10,-0.1 2,-0.6 -0.996 35.3-129.2-154.6 150.5 121.2 -12.1 7.6 25 25 A I E -B 31 0A 12 -2,-0.3 6,-0.2 6,-0.2 -12,-0.1 -0.910 30.5-139.9-104.5 121.6 121.1 -13.7 11.1 26 26 A S > - 0 0 23 4,-2.6 3,-1.2 -2,-0.6 -14,-0.1 -0.213 23.8-109.2 -74.9 169.0 124.4 -14.8 12.4 27 27 A S T 3 S+ 0 0 98 1,-0.3 -1,-0.1 2,-0.1 -15,-0.1 0.754 118.1 61.8 -69.5 -22.8 125.1 -18.0 14.3 28 28 A N T 3 S- 0 0 139 2,-0.1 -1,-0.3 -17,-0.1 -2,-0.1 0.043 122.9-101.6 -91.5 24.3 125.7 -15.9 17.4 29 29 A S S < S+ 0 0 13 -3,-1.2 -19,-1.6 1,-0.2 2,-0.4 0.687 76.2 133.6 68.3 23.5 122.1 -14.5 17.3 30 30 A V - 0 0 31 -21,-0.1 -4,-2.6 2,-0.0 2,-0.9 -0.853 54.3-132.2-108.8 142.3 122.7 -11.1 15.8 31 31 A L E -BC 25 226A 0 195,-2.7 195,-2.9 -2,-0.4 2,-0.9 -0.814 22.5-164.4 -89.6 109.9 120.7 -9.5 12.9 32 32 A E E -BC 24 225A 43 -8,-3.3 -8,-2.4 -2,-0.9 193,-0.2 -0.866 7.8-174.1 -98.3 106.1 123.3 -8.2 10.5 33 33 A L + 0 0 0 191,-2.4 2,-0.3 -2,-0.9 175,-0.2 0.897 69.6 41.1 -66.9 -41.3 121.4 -5.8 8.2 34 34 A T S S- 0 0 2 190,-0.4 190,-0.3 -3,-0.1 -10,-0.1 -0.822 101.6 -80.0-114.7 152.6 124.4 -5.3 5.9 35 35 A K + 0 0 93 -2,-0.3 7,-1.8 188,-0.1 2,-0.4 -0.106 41.1 177.1 -49.8 128.4 127.1 -7.7 4.6 36 36 A V E -N 41 0C 32 5,-0.2 2,-0.5 -4,-0.1 3,-0.3 -0.924 6.7-170.6-137.8 108.7 130.0 -8.7 6.8 37 37 A V E > S-N 40 0C 70 3,-2.4 3,-2.0 -2,-0.4 -2,-0.0 -0.888 70.7 -14.6-107.1 128.7 132.5 -11.2 5.4 38 38 A N T 3 S- 0 0 105 -2,-0.5 -1,-0.2 1,-0.3 0, 0.0 0.910 129.8 -52.4 50.4 47.2 135.2 -12.8 7.5 39 39 A G T 3 S+ 0 0 51 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.0 0.545 119.6 108.2 69.9 7.2 134.6 -10.2 10.2 40 40 A V E < -N 37 0C 66 -3,-2.0 -3,-2.4 182,-0.0 -1,-0.2 -0.965 65.4-131.5-121.0 129.5 135.0 -7.3 7.8 41 41 A P E -N 36 0C 3 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.476 23.5-149.0 -75.7 148.6 132.1 -5.1 6.5 42 42 A T - 0 0 35 -7,-1.8 180,-0.3 180,-0.2 3,-0.2 -0.789 8.7-119.8-116.8 161.7 131.8 -4.5 2.8 43 43 A W S S+ 0 0 54 -2,-0.3 169,-0.2 175,-0.2 178,-0.1 -0.159 88.0 48.3 -84.7-176.4 130.5 -1.6 0.7 44 44 A N S S+ 0 0 95 167,-4.7 2,-0.4 176,-0.2 -1,-0.2 0.893 83.8 135.9 49.3 47.2 127.6 -1.8 -1.8 45 45 A S + 0 0 1 -3,-0.2 165,-2.6 166,-0.2 2,-0.3 -0.978 27.8 171.7-129.3 143.4 125.4 -3.6 0.7 46 46 A T E + I 0 209B 9 -2,-0.4 -24,-2.6 163,-0.2 2,-0.3 -0.990 7.6 167.8-146.7 138.5 121.7 -3.0 1.6 47 47 A G E -HI 21 208B 0 161,-1.9 161,-2.2 -2,-0.3 2,-0.3 -0.990 10.7-170.3-156.4 147.3 119.5 -5.2 3.9 48 48 A R E -HI 20 207B 0 -28,-1.7 -28,-2.5 -2,-0.3 2,-0.3 -0.925 6.2-164.6-135.6 159.9 116.2 -5.0 5.6 49 49 A A E -HI 19 206B 0 157,-2.0 157,-2.5 -2,-0.3 2,-0.3 -0.956 13.1-175.0-147.2 123.3 114.3 -7.1 8.2 50 50 A L E -HI 18 205B 4 -32,-2.4 -32,-2.6 -2,-0.3 2,-0.4 -0.909 36.0-102.8-121.7 150.6 110.6 -6.7 8.7 51 51 A Y E -H 17 0B 17 153,-2.5 153,-0.3 -2,-0.3 -34,-0.3 -0.584 38.3-126.9 -69.8 125.8 108.3 -8.2 11.3 52 52 A A S S+ 0 0 31 -36,-3.7 -1,-0.1 -2,-0.4 -35,-0.1 0.768 87.1 62.8 -45.5 -39.8 106.4 -10.9 9.3 53 53 A K S S- 0 0 117 -37,-0.3 151,-0.3 1,-0.0 -2,-0.1 -0.728 85.5-117.6 -97.9 142.4 102.9 -9.8 10.2 54 54 A P - 0 0 71 0, 0.0 2,-0.4 0, 0.0 149,-0.2 -0.414 25.5-145.8 -72.5 147.6 101.3 -6.4 9.3 55 55 A V E -O 202 0D 4 147,-2.7 147,-2.5 -2,-0.1 2,-0.7 -0.936 11.4-127.5-117.1 140.8 100.3 -4.1 12.2 56 56 A Q E +O 201 0D 84 -2,-0.4 145,-0.3 145,-0.2 144,-0.1 -0.762 25.5 177.3 -88.2 113.3 97.3 -1.8 12.1 57 57 A V + 0 0 5 143,-2.6 9,-4.1 -2,-0.7 2,-0.3 0.675 67.7 5.2 -89.3 -18.3 98.4 1.8 13.1 58 58 A W B -P 65 0E 10 142,-1.0 2,-0.5 7,-0.3 7,-0.2 -0.986 62.4-133.6-158.8 161.8 94.9 3.4 12.6 59 59 A D > - 0 0 26 5,-2.3 4,-2.6 -2,-0.3 3,-0.4 -0.979 1.8-159.6-125.1 120.1 91.3 2.5 11.8 60 60 A S T 4 S+ 0 0 10 -2,-0.5 -1,-0.1 1,-0.2 5,-0.0 0.726 90.9 65.1 -69.0 -21.7 89.3 4.5 9.3 61 61 A T T 4 S+ 0 0 79 1,-0.2 786,-0.5 785,-0.1 -1,-0.2 0.889 122.7 15.1 -69.0 -37.9 86.0 3.2 10.9 62 62 A T T 4 S- 0 0 69 -3,-0.4 -2,-0.2 175,-0.3 -1,-0.2 0.557 95.0-128.7-110.8 -15.3 86.7 5.1 14.1 63 63 A G < + 0 0 20 -4,-2.6 -3,-0.2 1,-0.3 132,-0.1 0.436 58.9 147.2 79.0 -2.4 89.4 7.4 13.0 64 64 A N - 0 0 67 -5,-0.3 -5,-2.3 173,-0.1 2,-0.3 -0.342 36.0-148.4 -68.9 147.8 91.5 6.2 16.0 65 65 A V B -P 58 0E 25 -7,-0.2 -7,-0.3 -3,-0.1 103,-0.1 -0.910 16.0-112.8-119.8 145.9 95.3 6.0 15.8 66 66 A A - 0 0 1 -9,-4.1 2,-0.4 -2,-0.3 169,-0.2 -0.403 16.0-149.7 -78.5 150.0 97.6 3.6 17.5 67 67 A S E +D 234 0A 38 167,-1.9 167,-2.8 100,-0.1 2,-0.3 -0.854 27.8 175.3-109.0 150.1 100.1 4.5 20.2 68 68 A F E -DE 233 166A 11 98,-1.6 98,-2.8 -2,-0.4 2,-0.3 -0.981 24.2-156.9-154.3 166.4 103.2 2.3 20.2 69 69 A E E -DE 232 165A 59 163,-2.8 163,-2.5 -2,-0.3 2,-0.4 -0.992 11.1-177.8-145.7 139.1 106.6 1.8 21.8 70 70 A T E -DE 231 164A 0 94,-2.5 94,-2.7 -2,-0.3 2,-0.4 -0.998 3.2-171.3-142.4 140.3 109.6 -0.1 20.5 71 71 A R E +DE 230 163A 76 159,-1.9 159,-2.7 -2,-0.4 2,-0.3 -0.988 14.3 158.1-131.5 139.8 113.0 -0.8 22.1 72 72 A F E -DE 229 162A 4 90,-1.7 90,-2.7 -2,-0.4 2,-0.4 -0.986 30.4-134.9-157.0 161.3 116.1 -2.2 20.5 73 73 A S E +DE 228 161A 20 155,-1.5 154,-2.9 -2,-0.3 155,-0.9 -0.958 27.2 177.4-119.6 137.8 119.9 -2.4 20.8 74 74 A F E -DE 226 160A 1 86,-2.1 86,-2.5 -2,-0.4 2,-0.4 -0.915 16.9-151.0-137.3 164.7 122.2 -1.9 17.9 75 75 A S E -DE 225 159A 15 150,-2.4 150,-2.4 -2,-0.3 2,-0.6 -0.983 4.3-169.5-141.7 128.4 125.9 -1.9 17.2 76 76 A I - 0 0 0 82,-0.5 81,-2.3 -2,-0.4 2,-0.5 -0.962 9.0-169.1-118.0 111.0 127.7 0.0 14.5 77 77 A R - 0 0 87 -2,-0.6 146,-1.9 79,-0.2 79,-0.1 -0.893 4.5-164.8-102.8 126.6 131.4 -0.9 14.2 78 78 A Q + 0 0 36 -2,-0.5 144,-0.1 144,-0.2 78,-0.1 -0.821 14.5 170.2-115.4 90.6 133.5 1.3 11.9 79 79 A P S S+ 0 0 51 0, 0.0 -1,-0.2 0, 0.0 143,-0.1 0.854 72.3 48.3 -64.3 -42.7 136.8 -0.5 11.1 80 80 A F + 0 0 65 141,-0.4 141,-0.3 139,-0.3 4,-0.2 -0.863 62.1 164.5-108.0 99.8 138.0 2.0 8.5 81 81 A P + 0 0 92 0, 0.0 -1,-0.2 0, 0.0 138,-0.0 0.957 54.8 77.5 -78.4 -52.5 137.7 5.5 9.8 82 82 A R S S+ 0 0 231 2,-0.1 -2,-0.0 1,-0.1 0, 0.0 0.737 100.5 30.4 -27.7 -71.0 139.9 7.5 7.4 83 83 A P S S- 0 0 41 0, 0.0 -1,-0.1 0, 0.0 137,-0.1 0.943 122.9 -74.6 -59.1 -83.6 137.8 7.9 4.2 84 84 A H - 0 0 63 -4,-0.2 -2,-0.1 137,-0.1 42,-0.1 -0.701 35.9-120.4-179.7 122.4 134.3 8.0 5.7 85 85 A P - 0 0 20 0, 0.0 2,-0.3 0, 0.0 135,-0.2 -0.310 44.6-119.0 -65.6 153.9 132.0 5.3 7.2 86 86 A A - 0 0 0 133,-0.2 125,-0.7 40,-0.1 136,-0.2 -0.974 38.7 -28.8-162.6 154.4 128.6 4.8 5.5 87 87 A D E -J 210 0B 0 123,-0.4 38,-2.2 -2,-0.3 39,-1.0 -0.876 55.1-140.5-113.7 -31.4 125.7 4.8 5.5 88 88 A G E -JK 209 124B 0 121,-1.3 121,-1.7 36,-0.2 2,-0.3 -0.837 17.0 -97.6 137.9-175.7 123.7 4.2 8.6 89 89 A L E -JK 208 123B 0 34,-1.6 34,-2.6 -2,-0.3 2,-0.3 -0.926 24.2-161.1-140.3 162.5 120.5 2.4 9.7 90 90 A V E -JK 207 122B 0 117,-2.5 117,-1.8 -2,-0.3 2,-0.5 -0.976 20.3-137.8-144.8 156.0 116.9 3.1 10.4 91 91 A F E -JK 206 121B 3 30,-2.0 30,-2.5 -2,-0.3 2,-0.3 -0.925 44.8-178.5-104.9 136.1 113.8 1.8 12.2 92 92 A F E -JK 205 120B 0 113,-2.9 113,-1.7 -2,-0.5 2,-0.4 -0.971 33.7-149.4-145.8 161.3 110.9 2.4 9.8 93 93 A I E +JK 204 119B 4 26,-2.3 26,-1.7 -2,-0.3 111,-0.2 -0.996 33.9 153.3-125.8 126.5 107.2 2.1 9.2 94 94 A A E -J 203 0B 0 109,-2.0 109,-2.4 -2,-0.4 24,-0.2 -0.885 49.0 -71.6-145.9 174.0 105.9 1.6 5.7 95 95 A P - 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