==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LECTIN 19-MAR-04 1UZY . COMPND 2 MOLECULE: LECTIN (ECL); . SOURCE 2 ORGANISM_SCIENTIFIC: ERYTHRINA CRISTA-GALLI; . AUTHOR K.TURTON,R.NATESH,N.THIYAGARAJAN,J.A.CHADDOCK,K.R.ACHARYA . 476 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19460.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 304 63.9 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 . 196 41.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 1.7 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 . 0 0.0 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 . 39 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 10 2.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 . 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 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 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 7 0 2 4 5 3 6 2 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 . 3 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 2 A E 0 0 91 0, 0.0 235,-3.3 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 113.1 58.8 80.9 37.4 2 3 A T E +A 235 0A 94 233,-0.2 2,-0.3 65,-0.0 233,-0.2 -0.800 360.0 171.5-116.6 155.1 59.3 77.5 35.8 3 4 A I E +A 234 0A 39 231,-1.8 231,-2.4 -2,-0.3 2,-0.3 -0.966 10.5 155.0-157.2 144.0 62.1 75.6 34.1 4 5 A S E -A 233 0A 67 -2,-0.3 2,-0.3 229,-0.2 229,-0.2 -0.986 14.9-172.8-168.0 160.3 62.5 72.1 32.8 5 6 A F E -A 232 0A 19 227,-2.2 227,-2.4 -2,-0.3 2,-0.3 -0.975 7.0-158.3-154.7 160.3 64.3 69.8 30.4 6 7 A S E -A 231 0A 95 -2,-0.3 2,-0.6 225,-0.2 225,-0.3 -0.933 5.5-172.8-151.4 123.2 64.2 66.2 29.2 7 8 A F E +A 230 0A 17 223,-2.5 223,-1.9 -2,-0.3 3,-0.1 -0.907 5.1 179.8-117.5 99.3 66.8 64.0 27.6 8 9 A S S S- 0 0 101 -2,-0.6 2,-0.3 221,-0.2 -1,-0.1 0.685 84.0 -9.9 -70.1 -16.3 65.3 60.7 26.5 9 10 A E S S- 0 0 120 221,-0.1 2,-0.3 -3,-0.1 -1,-0.2 -0.945 78.7-111.2-167.5 168.7 68.8 60.0 25.3 10 11 A F - 0 0 2 19,-2.0 -3,-0.0 -2,-0.3 16,-0.0 -0.856 22.1-165.4-114.9 149.1 72.1 62.0 24.9 11 12 A E > - 0 0 128 -2,-0.3 3,-2.0 18,-0.1 2,-0.1 -0.999 35.2 -96.9-136.1 137.9 73.8 63.0 21.7 12 13 A P T 3 S+ 0 0 68 0, 0.0 14,-0.0 0, 0.0 12,-0.0 -0.278 109.6 24.0 -51.3 114.5 77.4 64.3 21.1 13 14 A G T 3 + 0 0 59 1,-0.3 4,-0.1 -2,-0.1 -3,-0.0 0.084 68.9 158.2 118.6 -26.0 77.2 68.1 21.0 14 15 A N X - 0 0 35 -3,-2.0 3,-2.1 1,-0.2 -1,-0.3 -0.078 32.2-152.7 -39.2 102.5 74.0 69.0 22.9 15 16 A N T 3 S+ 0 0 146 1,-0.3 -1,-0.2 3,-0.0 38,-0.0 0.645 87.4 70.5 -56.1 -18.6 74.7 72.6 23.7 16 17 A D T 3 S+ 0 0 58 36,-0.1 37,-2.1 37,-0.1 2,-0.4 0.439 92.7 64.9 -82.9 1.6 72.5 72.3 26.8 17 18 A L E < -H 52 0B 16 -3,-2.1 2,-0.5 35,-0.2 35,-0.2 -0.989 66.1-154.3-130.1 130.1 74.9 70.0 28.6 18 19 A T E -H 51 0B 63 33,-2.9 33,-2.2 -2,-0.4 2,-0.5 -0.891 14.3-150.9-101.0 124.6 78.4 70.8 29.8 19 20 A L E -H 50 0B 71 -2,-0.5 2,-0.3 31,-0.2 31,-0.2 -0.844 16.8-175.4 -99.1 129.0 80.7 67.8 30.1 20 21 A Q E > -H 49 0B 23 29,-3.0 29,-2.1 -2,-0.5 3,-1.6 -0.886 47.6 -9.5-123.5 154.4 83.4 67.9 32.8 21 22 A G E 3 S-H 48 0B 61 -2,-0.3 27,-0.3 1,-0.2 13,-0.1 -0.356 127.8 -17.9 64.0-138.9 86.2 65.6 33.7 22 23 A A T 3 S+ 0 0 34 25,-2.5 -1,-0.2 11,-0.2 26,-0.2 0.500 99.1 130.2 -79.7 -4.1 86.2 62.2 32.0 23 24 A A < + 0 0 8 -3,-1.6 2,-0.3 24,-0.2 10,-0.2 -0.224 28.2 165.1 -57.9 133.5 82.5 62.5 31.0 24 25 A I E -B 32 0A 84 8,-1.5 8,-2.5 10,-0.1 2,-0.6 -0.978 34.6-131.7-145.9 156.2 81.6 61.8 27.4 25 26 A I E -B 31 0A 18 -2,-0.3 6,-0.2 6,-0.2 -6,-0.0 -0.962 30.9-139.3-111.2 119.3 78.4 61.1 25.4 26 27 A T > - 0 0 23 4,-2.8 3,-1.8 -2,-0.6 -16,-0.1 -0.220 24.0-107.4 -74.0 167.9 78.8 58.1 23.1 27 28 A Q T 3 S+ 0 0 179 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.783 121.1 62.0 -64.6 -26.3 77.5 57.8 19.5 28 29 A S T 3 S- 0 0 91 2,-0.1 -1,-0.3 -17,-0.0 -18,-0.1 0.454 123.8-105.1 -79.3 -0.7 74.9 55.4 20.9 29 30 A G S < S+ 0 0 3 -3,-1.8 -19,-2.0 1,-0.3 2,-0.4 0.702 73.4 139.2 86.6 21.1 73.6 58.2 23.1 30 31 A V - 0 0 20 -21,-0.1 -4,-2.8 2,-0.0 2,-1.0 -0.824 48.8-139.4-103.4 136.3 75.0 57.1 26.4 31 32 A L E -BC 25 227A 0 196,-2.9 196,-2.6 -2,-0.4 2,-1.1 -0.814 17.4-164.8 -93.6 102.1 76.4 59.5 29.0 32 33 A Q E -BC 24 226A 37 -8,-2.5 -8,-1.5 -2,-1.0 194,-0.2 -0.780 5.4-173.1 -89.9 100.2 79.5 57.7 30.4 33 34 A L S S+ 0 0 1 192,-2.1 2,-0.4 -2,-1.1 180,-0.2 0.876 71.1 38.7 -60.8 -41.1 80.3 59.7 33.5 34 35 A T S S- 0 0 0 191,-0.4 191,-0.3 -3,-0.1 180,-0.1 -0.901 103.2 -84.2-117.6 146.1 83.5 57.7 34.2 35 36 A K - 0 0 114 -2,-0.4 8,-2.6 7,-0.1 2,-0.5 -0.076 31.4-157.5 -49.9 132.8 86.0 56.5 31.7 36 37 A I B -N 42 0C 40 6,-0.2 5,-0.1 -4,-0.1 -1,-0.1 -0.966 23.3-128.7-112.4 120.4 85.6 53.2 29.9 37 38 A N > - 0 0 49 4,-2.9 3,-2.2 -2,-0.5 6,-0.0 -0.112 27.0 -99.0 -65.0 166.7 88.8 51.8 28.6 38 39 A Q T 3 S+ 0 0 200 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.835 124.0 56.2 -54.2 -37.1 89.4 50.6 25.0 39 40 A N T 3 S- 0 0 119 2,-0.1 -1,-0.3 1,-0.1 -2,-0.1 0.275 121.7-106.3 -82.2 11.6 88.8 47.0 26.0 40 41 A G S < S+ 0 0 45 -3,-2.2 -2,-0.1 1,-0.3 -1,-0.1 0.335 80.6 126.6 83.3 -8.5 85.4 47.9 27.4 41 42 A M - 0 0 58 -5,-0.1 -4,-2.9 1,-0.1 -1,-0.3 -0.600 67.2-105.2 -85.3 144.2 86.5 47.7 31.1 42 43 A P B -N 36 0C 3 0, 0.0 2,-0.3 0, 0.0 -6,-0.2 -0.451 34.4-128.7 -69.2 136.1 85.8 50.6 33.5 43 44 A A - 0 0 8 -8,-2.6 180,-0.3 -2,-0.2 3,-0.2 -0.666 14.3-136.2 -88.5 138.4 89.0 52.6 34.4 44 45 A W S S+ 0 0 73 -2,-0.3 173,-0.1 1,-0.2 178,-0.1 -0.302 84.6 43.9 -81.1 173.7 89.9 53.4 38.0 45 46 A D S S+ 0 0 92 171,-2.5 2,-0.4 176,-0.3 -1,-0.2 0.917 87.9 135.9 55.9 47.1 91.1 56.8 39.1 46 47 A S + 0 0 8 -3,-0.2 169,-2.8 170,-0.1 2,-0.4 -0.974 31.4 178.0-130.9 142.7 88.3 58.5 37.0 47 48 A T E + I 0 214B 35 -2,-0.4 -25,-2.5 167,-0.2 2,-0.3 -0.984 9.8 162.8-143.4 129.1 85.9 61.4 37.7 48 49 A G E +HI 21 213B 0 165,-2.1 165,-2.8 -2,-0.4 2,-0.3 -0.995 6.4 175.9-148.0 151.1 83.4 62.9 35.4 49 50 A R E -HI 20 212B 4 -29,-2.1 -29,-3.0 -2,-0.3 2,-0.3 -0.923 16.0-148.6-146.5 170.1 80.3 65.1 35.6 50 51 A T E -HI 19 211B 0 161,-2.3 161,-2.1 -2,-0.3 2,-0.4 -0.991 12.2-164.1-144.6 137.2 77.7 66.9 33.5 51 52 A L E -HI 18 210B 7 -33,-2.2 -33,-2.9 -2,-0.3 2,-0.3 -0.959 27.0-116.6-124.4 141.2 75.9 70.1 34.3 52 53 A Y E -H 17 0B 11 157,-2.4 157,-0.3 -2,-0.4 -35,-0.2 -0.633 28.2-134.6 -70.5 133.1 72.7 71.5 32.7 53 54 A T S S+ 0 0 56 -37,-2.1 -1,-0.1 -2,-0.3 -36,-0.1 0.815 83.2 73.7 -62.7 -33.2 73.9 74.8 31.1 54 55 A K S S- 0 0 106 -38,-0.3 155,-0.3 1,-0.0 -2,-0.1 -0.669 82.3-126.6 -87.7 135.5 71.0 76.9 32.3 55 56 A P - 0 0 55 0, 0.0 2,-0.4 0, 0.0 153,-0.2 -0.387 20.6-132.0 -75.4 157.0 70.9 77.9 36.0 56 57 A V E -O 207 0D 1 151,-3.4 151,-2.4 -2,-0.1 2,-1.0 -0.935 5.0-135.7-116.8 133.2 67.8 77.2 38.2 57 58 A H E +O 206 0D 25 -2,-0.4 149,-0.2 149,-0.2 148,-0.1 -0.756 30.6 168.4 -88.0 104.2 66.0 79.6 40.4 58 59 A I - 0 0 0 147,-2.1 9,-3.8 -2,-1.0 2,-0.3 0.817 60.2 -10.0 -86.2 -36.8 65.3 77.6 43.6 59 60 A W B -P 66 0E 40 146,-1.2 2,-0.4 7,-0.3 -1,-0.2 -0.975 56.6-131.8-157.4 168.2 64.3 80.4 46.0 60 61 A D > - 0 0 32 5,-2.0 4,-2.5 -2,-0.3 5,-0.3 -0.988 1.7-157.5-133.2 125.7 64.0 84.2 46.4 61 62 A M T 4 S+ 0 0 129 -2,-0.4 -1,-0.1 2,-0.2 139,-0.0 0.934 94.7 52.2 -64.0 -48.2 65.1 86.2 49.4 62 63 A T T 4 S+ 0 0 133 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 0.961 124.6 25.1 -52.7 -60.6 62.9 89.2 48.7 63 64 A T T 4 S- 0 0 87 2,-0.1 -1,-0.2 1,-0.0 -2,-0.2 0.796 95.0-139.6 -76.9 -30.6 59.6 87.1 48.4 64 65 A G < + 0 0 44 -4,-2.5 -3,-0.2 1,-0.3 2,-0.1 0.586 51.4 144.0 80.6 9.8 60.9 84.3 50.6 65 66 A T - 0 0 35 -5,-0.3 -5,-2.0 172,-0.1 2,-0.4 -0.479 36.6-149.8 -82.4 154.1 59.3 81.7 48.3 66 67 A V B -P 59 0E 16 -7,-0.2 -7,-0.3 -2,-0.1 2,-0.2 -0.965 11.2-125.5-127.0 142.7 60.9 78.3 47.6 67 68 A A - 0 0 0 -9,-3.8 2,-0.3 -2,-0.4 169,-0.2 -0.588 12.4-144.5 -88.4 146.1 60.7 76.2 44.5 68 69 A S E +D 235 0A 37 167,-1.7 167,-2.4 -2,-0.2 2,-0.3 -0.795 29.4 177.3-100.4 149.4 59.6 72.5 44.4 69 70 A F E -DE 234 171A 7 102,-1.7 102,-3.3 -2,-0.3 2,-0.3 -0.963 22.1-161.5-152.1 169.3 61.3 70.3 42.0 70 71 A E E -DE 233 170A 51 163,-2.5 163,-2.5 -2,-0.3 2,-0.3 -0.991 5.3-172.7-152.4 145.2 61.8 66.8 40.6 71 72 A T E -DE 232 169A 0 98,-2.6 98,-2.8 -2,-0.3 2,-0.3 -0.994 2.9-171.2-141.3 146.4 64.4 65.0 38.5 72 73 A R E +DE 231 168A 71 159,-2.4 159,-2.8 -2,-0.3 2,-0.3 -0.991 11.7 158.6-138.3 145.0 64.5 61.6 36.9 73 74 A F E -DE 230 167A 4 94,-1.6 94,-3.0 -2,-0.3 2,-0.4 -0.981 28.9-134.8-162.1 155.0 67.2 59.6 35.3 74 75 A S E +DE 229 166A 20 155,-1.3 154,-2.4 -2,-0.3 155,-0.9 -0.933 31.7 164.3-114.7 139.8 68.1 56.0 34.4 75 76 A F E -DE 227 165A 0 90,-2.1 90,-3.5 -2,-0.4 2,-0.4 -0.957 23.5-147.5-148.6 165.5 71.6 54.6 35.0 76 77 A S E -DE 226 164A 4 150,-2.3 150,-2.1 -2,-0.3 2,-0.5 -1.000 4.4-166.5-140.1 138.1 73.5 51.4 35.1 77 78 A I - 0 0 0 86,-0.6 85,-2.5 -2,-0.4 2,-0.5 -0.994 7.6-171.6-124.4 122.8 76.5 50.4 37.3 78 79 A E - 0 0 91 -2,-0.5 146,-1.8 83,-0.2 83,-0.1 -0.976 9.4-163.7-117.4 128.3 78.4 47.3 36.3 79 80 A Q + 0 0 53 -2,-0.5 144,-0.1 144,-0.2 82,-0.1 -0.839 19.4 166.3-112.9 87.8 81.1 46.0 38.7 80 81 A P + 0 0 39 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.741 42.5 92.1 -75.2 -29.7 83.1 43.5 36.5 81 82 A Y - 0 0 47 141,-0.4 -2,-0.0 139,-0.2 139,-0.0 -0.472 62.9-149.0 -76.2 140.8 86.2 42.9 38.6 82 83 A T S S+ 0 0 147 1,-0.3 -1,-0.1 -2,-0.2 -3,-0.0 0.765 75.3 60.9 -73.7 -27.2 86.5 40.1 41.0 83 84 A R S S+ 0 0 196 2,-0.1 -1,-0.3 137,-0.1 2,-0.2 -0.966 82.4 22.4-164.3 156.0 88.8 42.3 43.1 84 85 A P S S- 0 0 38 0, 0.0 138,-0.2 0, 0.0 -3,-0.0 0.639 94.1 -82.8 -78.6-160.4 89.5 44.6 44.7 85 86 A L - 0 0 126 -2,-0.2 131,-0.1 136,-0.1 -2,-0.1 -0.370 51.8-110.1 -65.6 143.2 86.2 46.1 45.9 86 87 A P - 0 0 27 0, 0.0 2,-0.3 0, 0.0 135,-0.1 -0.263 45.3-117.5 -71.4 162.1 84.4 48.3 43.4 87 88 A A - 0 0 3 43,-0.1 129,-0.7 133,-0.1 136,-0.3 -0.960 32.6 -29.6-168.0 162.7 84.1 52.1 43.9 88 89 A D E -J 215 0B 5 127,-0.4 41,-1.7 -2,-0.3 42,-0.9 -0.933 54.3-137.3-118.9 -23.1 83.0 54.8 44.2 89 90 A G E -JK 214 128B 0 125,-1.5 125,-2.1 39,-0.2 2,-0.3 -0.794 14.6 -92.7 135.8-177.4 79.5 55.7 42.9 90 91 A L E -JK 213 127B 2 37,-1.8 37,-2.6 -2,-0.2 2,-0.3 -0.896 32.3-170.7-134.8 166.3 77.5 58.4 41.1 91 92 A V E -JK 212 126B 1 121,-2.6 121,-2.6 -2,-0.3 2,-0.5 -0.999 25.0-131.8-160.6 153.5 75.3 61.2 42.3 92 93 A F E -JK 211 125B 4 33,-2.2 33,-2.3 -2,-0.3 2,-0.3 -0.931 38.7-176.8-105.3 130.5 72.8 63.9 41.4 93 94 A F E -JK 210 124B 7 117,-2.5 117,-2.5 -2,-0.5 2,-0.4 -0.965 23.7-165.6-137.7 153.4 73.7 67.3 42.8 94 95 A M E +JK 209 123B 1 29,-2.9 29,-2.7 -2,-0.3 115,-0.2 -1.000 37.7 111.1-132.8 128.6 72.5 70.9 43.1 95 96 A G E -J 208 0B 4 113,-1.9 113,-2.7 -2,-0.4 27,-0.2 -0.915 58.6 -7.2-170.0-164.1 74.7 73.8 44.1 96 97 A P S > S- 0 0 44 0, 0.0 3,-0.6 0, 0.0 111,-0.2 -0.070 70.5-110.0 -46.9 139.8 76.5 77.0 43.2 97 98 A T T 3 S+ 0 0 60 109,-0.4 111,-0.0 1,-0.2 109,-0.0 -0.240 97.1 30.5 -70.0 161.7 76.5 77.9 39.5 98 99 A K T 3 S+ 0 0 170 1,-0.2 -1,-0.2 109,-0.0 2,-0.1 0.773 84.6 164.9 60.7 29.0 79.7 77.7 37.4 99 100 A S < - 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