==== 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 19-APR-08 2ZML . 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) . 36738.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 612 64.6 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 . 386 40.7 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 . 95 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 66 7.0 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 5 8 11 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 99 0, 0.0 234,-2.2 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 94.7 93.6 -4.7 20.1 2 2 A T E -A 234 0A 101 232,-0.2 2,-0.4 234,-0.1 232,-0.2 -0.897 360.0-172.4-107.7 131.7 97.1 -5.1 21.4 3 3 A I E +A 233 0A 54 230,-2.5 230,-2.7 -2,-0.5 2,-0.3 -0.967 15.7 157.4-122.8 137.1 99.9 -6.6 19.2 4 4 A S E +A 232 0A 78 -2,-0.4 2,-0.3 228,-0.2 228,-0.2 -0.999 16.4 177.7-158.4 159.2 103.4 -7.4 20.5 5 5 A F E -A 231 0A 22 226,-2.3 226,-2.3 -2,-0.3 2,-0.3 -0.987 9.9-155.3-158.1 159.5 106.5 -9.4 20.1 6 6 A N E -A 230 0A 94 -2,-0.3 2,-0.5 224,-0.2 224,-0.2 -0.994 6.9-173.0-146.2 136.6 110.0 -9.9 21.6 7 7 A F E +A 229 0A 19 222,-1.8 222,-2.5 -2,-0.3 3,-0.1 -0.944 7.3 176.7-130.5 108.7 113.3 -11.1 20.4 8 8 A N S S- 0 0 104 -2,-0.5 2,-0.3 220,-0.2 -1,-0.1 0.678 83.4 -10.3 -79.1 -20.5 116.1 -11.5 23.0 9 9 A Q S S- 0 0 97 220,-0.1 2,-0.4 -3,-0.1 -1,-0.2 -0.911 79.3-104.9-162.2 176.9 118.2 -12.9 20.2 10 10 A F - 0 0 1 19,-1.8 2,-0.3 -2,-0.3 -3,-0.0 -0.968 23.6-158.6-124.3 132.3 117.8 -14.1 16.6 11 11 A H > - 0 0 115 -2,-0.4 3,-1.5 17,-0.1 2,-0.1 -0.791 31.2-100.1-106.7 150.1 117.7 -17.6 15.3 12 12 A Q T 3 S+ 0 0 101 -2,-0.3 3,-0.1 1,-0.2 14,-0.0 -0.427 107.8 17.5 -68.7 139.3 118.3 -18.7 11.8 13 13 A N T 3 S- 0 0 157 1,-0.2 -1,-0.2 -2,-0.1 4,-0.0 0.584 82.1-179.4 75.1 12.6 115.2 -19.4 9.8 14 14 A E X - 0 0 54 -3,-1.5 3,-1.2 1,-0.2 -1,-0.2 -0.205 21.4-148.1 -45.5 120.1 113.0 -17.5 12.3 15 15 A E T 3 S+ 0 0 82 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.0 0.661 90.6 59.5 -71.3 -16.8 109.5 -17.8 10.9 16 16 A Q T 3 S+ 0 0 54 36,-0.1 36,-2.7 35,-0.1 2,-0.4 0.311 95.8 73.7 -96.4 11.2 108.3 -14.4 12.2 17 17 A L E < -H 51 0B 14 -3,-1.2 2,-0.7 34,-0.3 34,-0.2 -0.975 63.4-152.5-126.4 137.3 111.0 -12.4 10.2 18 18 A K E -H 50 0B 113 32,-3.1 32,-2.5 -2,-0.4 2,-0.4 -0.932 17.3-161.4-107.8 111.5 111.2 -11.6 6.5 19 19 A L E -H 49 0B 70 -2,-0.7 2,-0.4 30,-0.2 30,-0.2 -0.764 8.0-167.7 -93.6 138.0 114.8 -11.1 5.5 20 20 A Q E > -H 48 0B 41 28,-2.2 3,-1.8 -2,-0.4 28,-1.4 -0.961 46.3 -26.9-129.0 147.1 115.5 -9.3 2.3 21 21 A R E 3 S-H 47 0B 156 -2,-0.4 26,-0.2 1,-0.3 13,-0.0 -0.264 128.1 -3.3 55.8-130.7 118.6 -8.9 0.1 22 22 A D T 3 S+ 0 0 53 24,-2.5 -1,-0.3 11,-0.0 25,-0.2 0.495 99.7 121.7 -72.8 -3.7 121.9 -9.1 2.1 23 23 A A < + 0 0 10 -3,-1.8 2,-0.3 23,-0.2 10,-0.2 -0.355 33.7 157.4 -65.4 135.7 120.2 -9.5 5.5 24 24 A R E -B 32 0A 122 8,-2.2 8,-2.4 -2,-0.1 2,-0.5 -0.995 40.2-119.9-157.3 154.3 121.0 -12.6 7.4 25 25 A I E -B 31 0A 10 -2,-0.3 6,-0.2 6,-0.2 4,-0.0 -0.865 33.4-139.4-100.5 124.4 121.1 -14.1 10.9 26 26 A S > - 0 0 6 4,-2.4 3,-1.3 -2,-0.5 -14,-0.1 -0.180 23.8-104.1 -77.7 171.3 124.5 -15.2 12.2 27 27 A S T 3 S+ 0 0 106 1,-0.3 -15,-0.1 2,-0.1 -1,-0.1 0.909 119.8 55.2 -59.8 -47.2 125.4 -18.3 14.2 28 28 A N T 3 S- 0 0 133 1,-0.1 -1,-0.3 2,-0.1 -18,-0.1 0.150 123.0-103.9 -77.8 23.4 125.8 -16.3 17.4 29 29 A S S < S+ 0 0 11 -3,-1.3 -19,-1.8 1,-0.2 2,-0.4 0.708 73.3 134.9 67.4 26.6 122.3 -14.9 17.0 30 30 A V - 0 0 29 -21,-0.1 -4,-2.4 198,-0.0 2,-0.9 -0.842 55.3-123.9-107.7 146.9 122.8 -11.4 15.8 31 31 A L E -BC 25 226A 0 195,-2.6 195,-2.7 -2,-0.4 2,-0.9 -0.772 24.7-162.9 -88.0 107.2 120.8 -9.9 12.9 32 32 A E E -BC 24 225A 22 -8,-2.4 -8,-2.2 -2,-0.9 193,-0.2 -0.809 9.8-176.9 -95.2 106.4 123.3 -8.6 10.4 33 33 A L + 0 0 0 191,-2.2 2,-0.3 -2,-0.9 -1,-0.2 0.919 68.8 41.0 -67.5 -45.6 121.5 -6.2 8.1 34 34 A T S S- 0 0 2 190,-0.4 190,-0.3 1,-0.1 -10,-0.1 -0.768 100.2 -82.4-110.0 154.9 124.5 -5.6 5.8 35 35 A K + 0 0 108 -2,-0.3 7,-1.6 8,-0.1 2,-0.3 -0.153 41.6 175.5 -55.8 135.0 127.1 -8.0 4.4 36 36 A V E -N 41 0C 28 5,-0.3 2,-0.5 -4,-0.1 3,-0.2 -0.952 7.6-168.8-143.8 117.4 130.1 -8.9 6.5 37 37 A V E > S-N 40 0C 76 3,-3.1 3,-1.4 -2,-0.3 -2,-0.0 -0.938 70.3 -11.9-116.1 127.3 132.6 -11.5 5.2 38 38 A N T 3 S- 0 0 83 -2,-0.5 -1,-0.2 1,-0.3 0, 0.0 0.898 131.8 -51.2 56.8 40.0 135.4 -13.1 7.3 39 39 A G T 3 S+ 0 0 50 -3,-0.2 -1,-0.3 1,-0.2 -2,-0.0 0.564 120.5 108.4 75.4 8.3 134.7 -10.6 10.1 40 40 A V E < -N 37 0C 63 -3,-1.4 -3,-3.1 182,-0.0 -1,-0.2 -0.970 64.8-133.2-124.8 126.7 134.9 -7.7 7.6 41 41 A P E -N 36 0C 3 0, 0.0 -5,-0.3 0, 0.0 2,-0.2 -0.484 24.3-151.4 -74.2 142.7 132.0 -5.5 6.4 42 42 A T - 0 0 38 -7,-1.6 180,-0.4 -2,-0.2 3,-0.3 -0.663 10.1-116.2-111.4 169.1 131.9 -4.9 2.6 43 43 A W S S+ 0 0 48 -2,-0.2 169,-0.2 1,-0.2 -1,-0.1 -0.176 88.9 49.6 -89.2-173.4 130.5 -2.0 0.5 44 44 A N S S+ 0 0 98 167,-3.6 2,-0.4 176,-0.2 -1,-0.2 0.810 83.6 138.7 50.7 35.1 127.7 -2.2 -2.0 45 45 A S + 0 0 0 -3,-0.3 165,-2.5 166,-0.2 2,-0.3 -0.897 27.0 172.0-116.6 143.0 125.5 -3.9 0.6 46 46 A T E + I 0 209B 9 -2,-0.4 -24,-2.5 163,-0.2 2,-0.3 -0.987 6.2 164.5-147.2 132.9 121.8 -3.5 1.4 47 47 A G E -HI 21 208B 0 161,-1.9 161,-2.3 -2,-0.3 2,-0.3 -0.999 12.8-168.1-151.2 151.4 119.5 -5.4 3.7 48 48 A R E -HI 20 207B 0 -28,-1.4 -28,-2.2 -2,-0.3 2,-0.4 -0.929 6.8-159.5-135.2 159.0 116.2 -5.2 5.5 49 49 A A E -HI 19 206B 0 157,-2.5 157,-2.4 -2,-0.3 2,-0.3 -0.957 14.7-174.0-142.1 117.7 114.4 -7.2 8.1 50 50 A L E -HI 18 205B 6 -32,-2.5 -32,-3.1 -2,-0.4 2,-0.5 -0.870 33.7-110.6-115.0 148.6 110.6 -7.0 8.5 51 51 A Y E -H 17 0B 20 153,-2.5 153,-0.3 -2,-0.3 -34,-0.3 -0.654 36.7-128.0 -73.0 126.0 108.3 -8.5 11.1 52 52 A A S S+ 0 0 23 -36,-2.7 -1,-0.1 -2,-0.5 -35,-0.1 0.802 86.2 62.2 -47.1 -41.6 106.4 -11.2 9.1 53 53 A K S S- 0 0 110 -37,-0.3 151,-0.3 1,-0.1 2,-0.2 -0.603 85.9-117.1 -92.5 151.1 102.9 -10.1 10.1 54 54 A P - 0 0 78 0, 0.0 2,-0.4 0, 0.0 149,-0.2 -0.548 24.2-144.5 -82.3 151.6 101.4 -6.7 9.3 55 55 A V E -O 202 0D 3 147,-3.1 147,-3.1 -2,-0.2 2,-0.7 -0.897 10.8-129.0-115.5 146.4 100.4 -4.4 12.1 56 56 A Q E +O 201 0D 86 -2,-0.4 145,-0.2 145,-0.2 144,-0.1 -0.848 25.2 175.9 -96.9 112.5 97.3 -2.0 12.1 57 57 A V + 0 0 2 143,-1.8 9,-4.0 -2,-0.7 2,-0.3 0.670 68.1 8.1 -88.9 -18.5 98.3 1.5 13.0 58 58 A W B -P 65 0E 13 142,-1.1 2,-0.5 7,-0.3 -1,-0.2 -0.987 62.9-133.6-160.4 154.7 94.9 3.0 12.5 59 59 A D > - 0 0 32 5,-2.2 4,-2.8 -2,-0.3 5,-0.2 -0.950 2.9-158.1-117.1 120.5 91.3 2.1 11.8 60 60 A S T 4 S+ 0 0 13 -2,-0.5 -1,-0.1 1,-0.2 784,-0.0 0.762 92.5 59.7 -65.5 -26.2 89.2 4.0 9.2 61 61 A T T 4 S+ 0 0 82 1,-0.2 786,-0.4 785,-0.1 -1,-0.2 0.956 122.6 18.7 -67.2 -52.6 86.0 2.9 10.8 62 62 A T T 4 S- 0 0 68 2,-0.1 -2,-0.2 784,-0.1 -1,-0.2 0.664 95.4-132.3 -92.7 -20.1 86.6 4.5 14.2 63 63 A G < + 0 0 21 -4,-2.8 -3,-0.1 1,-0.3 132,-0.1 0.352 56.6 146.5 83.0 -7.0 89.3 6.9 13.0 64 64 A N - 0 0 63 -5,-0.2 -5,-2.2 -6,-0.1 2,-0.4 -0.250 37.7-146.9 -64.9 148.0 91.4 5.9 16.0 65 65 A V B -P 58 0E 24 -7,-0.2 -7,-0.3 -3,-0.1 103,-0.1 -0.912 16.4-117.3-118.5 145.1 95.2 5.7 15.7 66 66 A A - 0 0 1 -9,-4.0 2,-0.4 -2,-0.4 169,-0.2 -0.400 14.0-145.1 -80.7 155.9 97.5 3.3 17.5 67 67 A S E -D 234 0A 44 167,-1.8 167,-2.9 100,-0.1 2,-0.3 -0.883 26.6-179.0-112.6 146.6 100.1 4.1 20.1 68 68 A F E -DE 233 166A 11 98,-1.4 98,-3.0 -2,-0.4 2,-0.4 -0.986 21.5-159.8-149.3 160.1 103.3 2.0 20.1 69 69 A E E -DE 232 165A 59 163,-2.4 163,-1.5 -2,-0.3 2,-0.4 -0.998 12.4-178.3-138.9 136.3 106.6 1.5 21.8 70 70 A T E -DE 231 164A 1 94,-2.8 94,-3.0 -2,-0.4 2,-0.4 -1.000 3.8-173.8-140.3 140.6 109.6 -0.3 20.4 71 71 A R E +DE 230 163A 69 159,-1.9 159,-3.0 -2,-0.4 2,-0.3 -0.982 14.1 155.0-132.0 142.6 113.0 -1.0 21.9 72 72 A F E -DE 229 162A 5 90,-1.7 90,-2.5 -2,-0.4 2,-0.4 -0.985 30.5-133.0-160.4 161.7 116.1 -2.6 20.3 73 73 A S E +DE 228 161A 16 155,-1.6 154,-2.9 -2,-0.3 155,-1.0 -0.966 26.0 175.8-122.3 140.1 119.8 -2.7 20.6 74 74 A F E -DE 226 160A 1 86,-1.6 86,-2.1 -2,-0.4 2,-0.4 -0.901 16.6-149.7-138.0 166.9 122.2 -2.3 17.7 75 75 A S E -D 225 0A 16 150,-2.2 150,-2.4 -2,-0.3 2,-0.5 -0.990 4.2-168.2-143.3 131.5 125.9 -2.2 17.1 76 76 A I - 0 0 1 82,-0.5 81,-2.7 -2,-0.4 2,-0.6 -0.964 7.0-169.1-121.9 113.5 127.8 -0.3 14.5 77 77 A R - 0 0 96 -2,-0.5 146,-1.3 79,-0.2 79,-0.1 -0.905 5.4-161.9-108.0 117.1 131.5 -1.2 14.1 78 78 A Q + 0 0 40 -2,-0.6 144,-0.1 144,-0.2 78,-0.1 -0.762 14.0 173.3-103.9 90.4 133.6 1.1 11.9 79 79 A P + 0 0 46 0, 0.0 -1,-0.2 0, 0.0 143,-0.1 0.840 69.4 51.5 -62.5 -39.0 136.8 -0.8 11.0 80 80 A F - 0 0 59 141,-0.4 141,-0.2 139,-0.2 4,-0.1 -0.843 59.1-175.1-111.1 103.6 138.0 1.8 8.5 81 81 A P + 0 0 112 0, 0.0 -1,-0.2 0, 0.0 138,-0.0 0.944 55.9 92.9 -56.9 -52.6 138.2 5.4 9.7 82 82 A R S S+ 0 0 67 2,-0.1 2,-0.1 1,-0.1 0, 0.0 -0.768 90.6 0.7-104.5 145.7 139.2 6.9 6.3 83 83 A P S S- 0 0 62 0, 0.0 -1,-0.1 0, 0.0 137,-0.1 -0.881 119.9 -59.7 -77.1 -34.5 137.9 8.0 4.0 84 84 A H - 0 0 69 -2,-0.1 -2,-0.1 -4,-0.1 127,-0.1 -0.816 37.6-117.8-176.4 131.0 134.4 7.7 5.6 85 85 A P - 0 0 20 0, 0.0 2,-0.3 0, 0.0 135,-0.2 -0.330 43.8-118.6 -70.5 155.2 132.0 5.0 7.0 86 86 A A - 0 0 2 133,-0.1 125,-0.7 40,-0.1 136,-0.2 -0.978 40.0 -31.5-159.4 152.7 128.6 4.5 5.3 87 87 A D E -J 210 0B 7 123,-0.4 38,-2.2 -2,-0.3 39,-1.1 -0.894 54.6-139.7-118.1 -27.2 125.7 4.5 5.4 88 88 A G E -JK 209 124B 0 121,-1.2 121,-1.7 36,-0.2 2,-0.3 -0.753 18.1 -95.7 133.1 179.3 123.7 3.8 8.5 89 89 A L E -JK 208 123B 0 34,-1.3 34,-2.7 -2,-0.2 2,-0.3 -0.908 26.7-164.4-134.0 161.2 120.5 2.0 9.6 90 90 A V E -JK 207 122B 0 117,-2.4 117,-1.7 -2,-0.3 2,-0.5 -0.974 21.1-132.5-145.8 157.1 117.0 2.9 10.3 91 91 A F E -JK 206 121B 4 30,-2.3 30,-2.4 -2,-0.3 2,-0.3 -0.916 43.1-176.7-103.5 133.0 113.8 1.6 12.0 92 92 A F E -JK 205 120B 1 113,-3.1 113,-1.9 -2,-0.5 2,-0.4 -0.961 32.8-156.7-143.7 160.6 110.9 2.0 9.6 93 93 A I E +JK 204 119B 3 26,-2.5 26,-2.0 -2,-0.3 111,-0.2 -0.993 32.7 150.9-126.5 130.5 107.2 1.6 9.0 94 94 A A E -J 203 0B 0 109,-1.8 109,-2.7 -2,-0.4 24,-0.2 -0.944 50.3 -66.8-152.5 172.0 105.9 1.3 5.5 95 95 A P - 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