==== 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 12-JAN-07 2E7Q . COMPND 2 MOLECULE: BASIC AGGLUTININ; . SOURCE 2 ORGANISM_SCIENTIFIC: PSOPHOCARPUS TETRAGONOLOBUS; . AUTHOR K.A.KULKARNI,S.KATIYAR,A.SUROLIA,M.VIJAYAN,K.SUGUNA . 948 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37005.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 621 65.5 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 . 388 40.9 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 . 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 . 105 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 63 6.6 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 . 4 16 0 4 8 12 8 8 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 94 0, 0.0 234,-3.1 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 95.5 93.2 -5.0 20.1 2 2 A T E -A 234 0A 99 232,-0.2 2,-0.3 234,-0.1 232,-0.2 -0.992 360.0-174.0-131.6 123.3 96.8 -5.4 21.2 3 3 A I E +A 233 0A 57 230,-1.8 230,-2.4 -2,-0.4 2,-0.3 -0.840 14.5 162.4-112.2 153.0 99.5 -7.0 19.2 4 4 A S E +A 232 0A 76 -2,-0.3 2,-0.3 228,-0.2 228,-0.2 -0.932 15.2 179.9-171.5 145.6 103.0 -7.7 20.4 5 5 A F E -A 231 0A 18 226,-2.1 226,-2.8 -2,-0.3 2,-0.4 -0.990 7.6-161.1-148.1 155.2 106.2 -9.7 19.9 6 6 A N E -A 230 0A 97 -2,-0.3 2,-0.5 224,-0.2 224,-0.2 -0.999 6.2-173.5-142.8 135.2 109.6 -10.0 21.5 7 7 A F E -A 229 0A 16 222,-2.2 222,-2.6 -2,-0.4 3,-0.1 -0.969 5.5-178.8-127.7 110.0 113.0 -11.4 20.2 8 8 A N S S- 0 0 99 -2,-0.5 2,-0.3 1,-0.3 -1,-0.1 0.545 82.9 -13.7 -83.8 -5.8 115.7 -11.6 22.9 9 9 A Q S S- 0 0 90 220,-0.1 2,-0.3 -3,-0.1 -1,-0.3 -0.930 78.7-104.2-178.2 168.6 117.8 -12.9 20.1 10 10 A F - 0 0 0 19,-2.3 2,-0.3 -2,-0.3 3,-0.0 -0.874 25.5-154.4-116.1 147.3 117.4 -14.2 16.5 11 11 A H - 0 0 101 -2,-0.3 3,-0.3 1,-0.1 16,-0.1 -0.860 39.0 -75.5-120.1 153.4 117.6 -17.7 15.2 12 12 A Q S S- 0 0 102 -2,-0.3 -1,-0.1 1,-0.2 14,-0.1 -0.132 112.3 -11.7 -43.3 128.4 118.4 -19.3 11.8 13 13 A N S S- 0 0 146 1,-0.1 2,-0.2 12,-0.1 -1,-0.2 0.884 84.2-154.9 33.0 88.1 115.3 -18.7 9.6 14 14 A E > - 0 0 56 -3,-0.3 3,-0.9 1,-0.1 -1,-0.1 -0.615 15.7-129.9 -86.8 145.8 112.7 -17.5 12.1 15 15 A E T 3 S+ 0 0 175 -2,-0.2 -1,-0.1 1,-0.2 -2,-0.0 0.917 102.7 46.8 -62.3 -46.4 109.0 -18.0 11.3 16 16 A Q T 3 S+ 0 0 51 36,-0.1 36,-3.0 35,-0.1 2,-0.4 0.137 97.4 83.2 -88.4 21.0 107.9 -14.5 12.0 17 17 A L E < -H 51 0B 17 -3,-0.9 2,-0.7 34,-0.3 34,-0.2 -0.982 58.4-154.8-128.0 135.5 110.6 -12.6 10.1 18 18 A K E -H 50 0B 115 32,-3.3 32,-2.7 -2,-0.4 2,-0.4 -0.931 16.6-162.9-106.3 111.5 110.8 -11.7 6.5 19 19 A L E -H 49 0B 61 -2,-0.7 2,-0.4 30,-0.2 30,-0.2 -0.773 7.7-164.9 -92.8 141.1 114.4 -11.3 5.5 20 20 A Q E > -H 48 0B 33 28,-2.7 3,-1.8 -2,-0.4 28,-1.6 -0.979 45.9 -29.9-131.8 144.4 115.1 -9.4 2.2 21 21 A R E 3 S-H 47 0B 149 -2,-0.4 26,-0.2 1,-0.3 13,-0.0 -0.306 128.9 -2.2 56.3-127.7 118.1 -9.1 0.0 22 22 A D T 3 S+ 0 0 38 24,-2.4 -1,-0.3 11,-0.1 25,-0.2 0.554 98.3 121.4 -72.5 -9.0 121.4 -9.3 2.0 23 23 A A < + 0 0 9 -3,-1.8 2,-0.3 23,-0.2 10,-0.2 -0.346 35.2 159.8 -61.7 129.3 119.7 -9.6 5.4 24 24 A R E -B 32 0A 112 8,-2.1 8,-2.4 10,-0.1 2,-0.6 -0.944 40.1-118.8-144.4 164.1 120.8 -12.8 7.2 25 25 A I E -B 31 0A 8 -2,-0.3 6,-0.2 6,-0.2 -12,-0.1 -0.932 31.9-133.0-111.6 114.5 120.8 -14.2 10.7 26 26 A S > - 0 0 7 4,-2.2 3,-1.3 -2,-0.6 -14,-0.1 -0.148 22.9-110.7 -60.6 159.6 124.3 -15.1 12.0 27 27 A S T 3 S+ 0 0 107 1,-0.3 -15,-0.1 2,-0.1 -1,-0.1 0.750 116.4 57.4 -65.2 -23.9 124.9 -18.4 13.7 28 28 A N T 3 S- 0 0 129 2,-0.1 -1,-0.3 -17,-0.1 -2,-0.1 -0.017 123.9 -96.4-101.0 33.5 125.4 -16.7 17.0 29 29 A S S < S+ 0 0 15 -3,-1.3 -19,-2.3 1,-0.2 2,-0.3 0.371 78.7 126.6 79.3 -2.1 122.0 -15.0 17.0 30 30 A V - 0 0 19 -21,-0.1 -4,-2.2 1,-0.0 2,-0.8 -0.641 57.1-125.7 -92.2 152.0 122.5 -11.5 15.7 31 31 A L E -BC 25 226A 0 195,-2.6 195,-2.7 -2,-0.3 2,-0.9 -0.838 22.1-161.6 -94.0 110.2 120.5 -10.1 12.8 32 32 A E E -BC 24 225A 25 -8,-2.4 -8,-2.1 -2,-0.8 193,-0.2 -0.815 9.7-176.4 -98.6 103.0 122.9 -8.8 10.2 33 33 A L S S+ 0 0 0 191,-2.1 2,-0.3 -2,-0.9 175,-0.2 0.896 70.1 39.3 -63.3 -43.7 121.1 -6.3 7.9 34 34 A T S S- 0 0 1 190,-0.3 190,-0.3 1,-0.1 -10,-0.1 -0.766 101.2 -80.1-111.8 159.2 124.0 -5.8 5.6 35 35 A K + 0 0 98 -2,-0.3 7,-1.3 7,-0.1 2,-0.3 -0.159 40.7 175.7 -57.6 138.8 126.7 -8.1 4.2 36 36 A V E -N 41 0C 24 5,-0.2 2,-0.6 -4,-0.1 3,-0.3 -0.886 7.7-169.7-145.6 108.8 129.7 -9.1 6.4 37 37 A V E > S-N 40 0C 68 3,-2.4 3,-0.8 -2,-0.3 -2,-0.0 -0.902 72.5 -13.4-109.5 119.4 132.1 -11.7 4.9 38 38 A N T 3 S- 0 0 165 -2,-0.6 -1,-0.2 1,-0.2 0, 0.0 0.939 130.8 -50.6 61.5 47.1 134.8 -13.2 7.2 39 39 A G T 3 S+ 0 0 51 -3,-0.3 -1,-0.2 1,-0.2 -2,-0.0 0.574 119.5 108.0 69.5 9.9 134.2 -10.6 9.9 40 40 A V E < -N 37 0C 64 -3,-0.8 -3,-2.4 182,-0.0 2,-0.2 -0.972 66.0-131.7-125.8 126.6 134.5 -7.7 7.4 41 41 A P E -N 36 0C 3 0, 0.0 -5,-0.2 0, 0.0 2,-0.2 -0.500 24.4-151.3 -73.6 138.9 131.6 -5.5 6.2 42 42 A T - 0 0 38 -7,-1.3 180,-0.3 -2,-0.2 3,-0.2 -0.677 10.1-119.1-107.9 165.1 131.4 -5.0 2.4 43 43 A W S S+ 0 0 53 -2,-0.2 169,-0.2 1,-0.2 -1,-0.1 -0.185 88.3 50.1 -87.8-173.8 130.1 -2.2 0.3 44 44 A N S S+ 0 0 92 167,-3.4 2,-0.4 1,-0.2 -1,-0.2 0.855 83.8 137.0 49.8 40.6 127.2 -2.3 -2.2 45 45 A S + 0 0 0 -3,-0.2 165,-2.5 166,-0.2 2,-0.3 -0.936 26.5 168.9-121.9 144.2 125.0 -4.1 0.4 46 46 A T E + I 0 209B 8 -2,-0.4 -24,-2.4 163,-0.2 2,-0.3 -0.973 7.1 160.2-152.0 134.1 121.4 -3.6 1.3 47 47 A G E -HI 21 208B 0 161,-1.4 161,-2.1 -2,-0.3 2,-0.3 -0.995 14.2-165.9-156.5 153.1 119.1 -5.7 3.5 48 48 A R E -HI 20 207B 0 -28,-1.6 -28,-2.7 -2,-0.3 2,-0.4 -0.948 8.4-156.1-138.8 157.9 115.8 -5.5 5.4 49 49 A A E -HI 19 206B 0 157,-2.1 157,-2.5 -2,-0.3 2,-0.3 -0.997 16.5-174.5-135.7 126.4 114.0 -7.6 8.0 50 50 A L E -HI 18 205B 7 -32,-2.7 -32,-3.3 -2,-0.4 2,-0.5 -0.884 34.5-104.9-120.2 153.9 110.2 -7.2 8.4 51 51 A Y E -H 17 0B 23 153,-2.2 -34,-0.3 -2,-0.3 153,-0.3 -0.697 35.5-126.5 -78.3 125.8 107.9 -8.8 10.9 52 52 A A S S+ 0 0 12 -36,-3.0 -1,-0.1 -2,-0.5 -35,-0.1 0.804 88.0 58.5 -38.9 -49.5 106.1 -11.6 9.1 53 53 A K S S- 0 0 114 -37,-0.3 151,-0.3 1,-0.1 2,-0.2 -0.578 86.3-115.5 -91.8 152.4 102.6 -10.5 10.0 54 54 A P - 0 0 69 0, 0.0 2,-0.4 0, 0.0 149,-0.2 -0.551 25.6-146.3 -81.9 148.8 101.0 -7.1 9.2 55 55 A V E -O 202 0D 1 147,-2.9 147,-3.1 -2,-0.2 2,-0.8 -0.896 11.5-127.2-116.2 148.1 100.0 -4.8 12.0 56 56 A Q E +O 201 0D 85 -2,-0.4 145,-0.3 145,-0.2 144,-0.1 -0.829 24.5 177.0 -97.6 108.9 97.0 -2.4 12.1 57 57 A V + 0 0 2 143,-1.8 9,-3.7 -2,-0.8 2,-0.3 0.666 69.7 5.9 -83.8 -17.4 98.0 1.2 12.9 58 58 A W B -P 65 0E 12 142,-1.2 2,-0.5 7,-0.3 7,-0.2 -0.983 60.6-133.6-163.5 154.6 94.5 2.5 12.5 59 59 A D > - 0 0 30 5,-2.0 4,-2.5 -2,-0.3 5,-0.2 -0.957 5.9-158.6-114.8 119.3 90.8 1.6 11.8 60 60 A S T 4 S+ 0 0 12 -2,-0.5 -1,-0.1 1,-0.2 5,-0.0 0.674 92.0 61.2 -69.7 -15.6 88.9 3.5 9.2 61 61 A T T 4 S+ 0 0 84 1,-0.1 786,-0.4 785,-0.1 -1,-0.2 0.948 120.1 21.7 -75.7 -48.5 85.6 2.4 10.8 62 62 A T T 4 S- 0 0 66 2,-0.1 -2,-0.2 784,-0.1 -1,-0.1 0.656 96.3-132.5 -91.4 -19.7 86.3 4.0 14.2 63 63 A G < + 0 0 21 -4,-2.5 -3,-0.1 1,-0.3 132,-0.1 0.347 58.1 144.8 82.5 -8.0 88.8 6.6 12.9 64 64 A N - 0 0 65 -5,-0.2 -5,-2.0 -6,-0.1 2,-0.4 -0.288 39.4-147.2 -65.5 144.4 91.0 5.5 15.9 65 65 A V B -P 58 0E 24 -7,-0.2 -7,-0.3 -3,-0.1 103,-0.1 -0.925 17.3-118.4-116.7 140.8 94.8 5.4 15.6 66 66 A A - 0 0 0 -9,-3.7 2,-0.3 -2,-0.4 169,-0.2 -0.365 16.0-144.8 -75.8 151.7 97.1 2.9 17.4 67 67 A S E -D 234 0A 38 167,-1.9 167,-2.7 100,-0.1 2,-0.3 -0.849 26.3-177.2-109.5 150.3 99.7 3.9 19.9 68 68 A F E -DE 233 166A 11 98,-1.8 98,-3.7 -2,-0.3 2,-0.4 -0.993 24.7-160.9-152.7 160.7 102.9 1.9 20.0 69 69 A E E +DE 232 165A 61 163,-2.3 163,-2.0 -2,-0.3 2,-0.4 -0.997 14.1 179.3-138.4 134.1 106.2 1.3 21.7 70 70 A T E -DE 231 164A 0 94,-2.7 94,-2.9 -2,-0.4 2,-0.4 -0.999 4.9-169.6-140.7 138.0 109.1 -0.6 20.2 71 71 A R E +DE 230 163A 68 159,-2.4 159,-3.1 -2,-0.4 2,-0.3 -0.979 13.5 159.2-128.5 140.8 112.6 -1.3 21.7 72 72 A F E -DE 229 162A 4 90,-1.6 90,-2.8 -2,-0.4 2,-0.4 -0.984 28.4-137.4-155.0 162.0 115.6 -2.7 20.1 73 73 A S E +DE 228 161A 20 155,-1.6 154,-3.2 -2,-0.3 155,-1.0 -0.991 26.4 173.2-125.4 133.5 119.4 -2.9 20.4 74 74 A F E -DE 226 160A 1 86,-1.7 86,-2.3 -2,-0.4 2,-0.3 -0.832 17.7-150.4-132.6 171.4 121.8 -2.5 17.5 75 75 A S E -D 225 0A 15 150,-2.2 150,-2.4 -2,-0.3 2,-0.5 -0.984 3.2-166.9-147.3 133.6 125.5 -2.3 16.9 76 76 A I - 0 0 3 82,-0.4 81,-2.5 79,-0.4 2,-0.5 -0.975 7.5-168.7-122.7 113.3 127.4 -0.5 14.2 77 77 A R - 0 0 97 -2,-0.5 146,-1.8 79,-0.2 79,-0.1 -0.916 4.6-162.8-105.6 126.0 131.1 -1.3 13.9 78 78 A Q + 0 0 39 -2,-0.5 144,-0.1 144,-0.2 78,-0.1 -0.840 12.8 174.3-110.3 93.1 133.1 0.9 11.6 79 79 A P S S+ 0 0 51 0, 0.0 -1,-0.2 0, 0.0 143,-0.1 0.804 70.3 53.3 -66.9 -33.7 136.4 -0.9 10.7 80 80 A F - 0 0 63 141,-0.4 141,-0.2 139,-0.2 4,-0.2 -0.830 58.2-177.7-113.5 101.2 137.6 1.7 8.2 81 81 A P + 0 0 106 0, 0.0 -1,-0.2 0, 0.0 138,-0.0 0.844 54.9 95.9 -61.6 -36.5 137.7 5.3 9.5 82 82 A R S S- 0 0 209 1,-0.2 2,-0.0 2,-0.1 0, 0.0 -0.897 91.0 -1.9-113.2 142.3 138.8 6.8 6.1 83 83 A P S S- 0 0 57 0, 0.0 -1,-0.2 0, 0.0 137,-0.1 -0.971 120.4 -56.3 -83.4 -24.0 137.4 8.0 3.9 84 84 A H - 0 0 64 -4,-0.2 -2,-0.1 2,-0.0 127,-0.1 -0.662 37.6-122.5 176.5 126.4 133.9 7.6 5.4 85 85 A P - 0 0 18 0, 0.0 2,-0.3 0, 0.0 135,-0.2 -0.287 44.3-118.6 -69.9 159.6 131.5 4.9 6.7 86 86 A A - 0 0 2 133,-0.2 125,-0.8 40,-0.1 136,-0.2 -0.959 37.6 -31.2-168.5 154.1 128.1 4.5 5.2 87 87 A D E -J 210 0B 4 123,-0.4 38,-2.7 -2,-0.3 39,-0.7 -0.910 55.3-140.3-115.3 -26.9 125.2 4.5 5.2 88 88 A G E -JK 209 124B 0 121,-1.3 121,-1.5 36,-0.2 2,-0.3 -0.762 18.0 -91.3 134.0-179.6 123.2 3.6 8.3 89 89 A L E -JK 208 123B 0 34,-1.4 34,-2.7 -2,-0.2 2,-0.3 -0.888 27.2-161.7-131.5 161.6 120.1 1.8 9.4 90 90 A V E -JK 207 122B 0 117,-2.7 117,-1.8 -2,-0.3 2,-0.5 -0.972 18.2-139.4-143.3 156.5 116.5 2.6 10.0 91 91 A F E -JK 206 121B 3 30,-2.4 30,-2.4 -2,-0.3 2,-0.3 -0.947 40.9-179.3-108.9 133.8 113.4 1.3 11.8 92 92 A F E -JK 205 120B 0 113,-2.9 113,-1.9 -2,-0.5 2,-0.4 -0.961 33.9-150.8-144.3 161.9 110.4 1.7 9.6 93 93 A I E +JK 204 119B 2 26,-2.4 26,-2.0 -2,-0.3 111,-0.2 -0.978 35.7 153.3-123.4 134.3 106.7 1.3 9.1 94 94 A A E -J 203 0B 0 109,-2.2 109,-3.1 -2,-0.4 24,-0.2 -0.960 48.9 -69.9-155.7 170.4 105.3 0.9 5.6 95 95 A P > - 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