==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING PROTEIN 18-AUG-09 3IPV . COMPND 2 MOLECULE: LECTIN ALPHA CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: SPATHOLOBUS PARVIFLORUS; . AUTHOR K.GEETHANANDAN,S.R.BHARATH,J.ABHILASH,C.SADASIVAN,M.HARIDAS . 976 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32983.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 667 68.3 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 . 408 41.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 16 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 8 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 . 100 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 68 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 33 3.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.0 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 1 1 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 . 8 12 0 4 8 9 11 7 7 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 . 1 0 0 0 0 1 3 0 0 0 0 0 0 0 2 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 A 0 0 41 0, 0.0 2,-0.5 0, 0.0 750,-0.3 0.000 360.0 360.0 360.0 144.8 5.3 -15.0 19.0 2 2 A E E -A 237 0A 19 235,-2.7 235,-2.9 748,-0.2 2,-0.4 -0.819 360.0-175.2 -84.1 130.2 5.9 -11.2 18.6 3 3 A E E -AB 236 749A 67 746,-2.1 746,-2.6 -2,-0.5 2,-0.3 -0.982 21.6-176.7-138.9 140.9 2.7 -9.6 17.4 4 4 A T E +AB 235 748A 6 231,-0.9 231,-1.7 -2,-0.4 2,-0.3 -0.992 16.2 163.3-134.7 133.6 1.4 -6.2 16.3 5 5 A S E +AB 234 747A 29 742,-2.3 742,-2.8 -2,-0.3 2,-0.3 -0.986 6.2 165.2-149.9 150.5 -2.1 -5.4 15.4 6 6 A F E -AB 233 746A 2 227,-2.2 227,-2.4 -2,-0.3 2,-0.4 -0.976 15.5-157.2-159.8 156.7 -4.4 -2.4 14.9 7 7 A V E -AB 232 745A 14 738,-2.6 738,-2.4 -2,-0.3 2,-0.6 -0.973 4.6-173.4-139.2 130.9 -7.7 -1.5 13.5 8 8 A F E +AB 231 744A 3 223,-3.2 223,-2.1 -2,-0.4 736,-0.2 -0.938 4.9 177.3-117.1 98.4 -8.9 2.0 12.3 9 9 A S S S- 0 0 58 734,-0.9 2,-0.3 -2,-0.6 -1,-0.1 0.659 81.4 -2.1 -75.8 -16.3 -12.6 1.6 11.4 10 10 A K S S- 0 0 105 221,-0.1 2,-0.2 -3,-0.1 21,-0.1 -0.875 82.2-119.5-147.5 172.9 -12.5 5.4 10.7 11 11 A F - 0 0 2 19,-2.0 3,-0.1 -2,-0.3 4,-0.1 -0.725 22.0-137.5-110.7 165.8 -9.7 7.9 11.1 12 12 A K - 0 0 27 -2,-0.2 14,-0.1 1,-0.1 16,-0.1 -0.959 21.2-123.5-124.8 147.9 -9.6 11.1 13.2 13 13 A P S S+ 0 0 89 0, 0.0 2,-0.8 0, 0.0 13,-0.2 0.923 114.6 47.1 -44.3 -49.4 -8.5 14.7 12.8 14 14 A L S S+ 0 0 109 -3,-0.1 0, 0.0 1,-0.1 0, 0.0 -0.847 72.6 151.9 -99.3 111.7 -6.3 14.0 15.8 15 15 A E > + 0 0 10 -2,-0.8 3,-2.1 3,-0.2 -1,-0.1 -0.623 12.8 171.5-139.1 72.9 -4.5 10.6 15.2 16 16 A P T 3 S+ 0 0 44 0, 0.0 -1,-0.1 0, 0.0 783,-0.0 0.629 76.1 64.8 -70.0 -9.2 -1.2 10.5 17.0 17 17 A N T 3 S+ 0 0 7 780,-0.1 37,-2.7 1,-0.1 2,-0.4 0.331 96.5 68.5 -90.6 8.7 -0.7 6.7 16.2 18 18 A L E < S-P 53 0B 10 -3,-2.1 2,-0.7 35,-0.2 35,-0.2 -0.987 75.1-147.3-125.7 125.4 -0.5 7.6 12.5 19 19 A I E -P 52 0B 57 33,-3.0 33,-2.3 -2,-0.4 2,-0.4 -0.822 15.6-156.1 -90.6 114.5 2.4 9.5 11.0 20 20 A L E -P 51 0B 69 -2,-0.7 2,-0.3 31,-0.2 31,-0.2 -0.765 13.3-177.3 -93.0 135.0 1.2 11.7 8.1 21 21 A Q E > -P 50 0B 36 29,-2.8 29,-2.4 -2,-0.4 3,-1.4 -0.935 51.4 -5.5-133.3 152.6 3.8 12.8 5.5 22 22 A G E 3 S-P 49 0B 58 -2,-0.3 27,-0.3 27,-0.2 13,-0.1 -0.422 127.6 -21.4 64.3-131.6 3.5 15.0 2.5 23 23 A D T 3 S+ 0 0 60 25,-2.5 -1,-0.2 11,-0.3 26,-0.2 0.413 96.2 130.1 -92.7 -2.3 -0.1 16.2 1.8 24 24 A A < + 0 0 10 -3,-1.4 2,-0.3 24,-0.2 10,-0.2 -0.254 26.3 157.9 -61.5 135.7 -1.9 13.5 3.7 25 25 A L E -C 33 0A 79 8,-1.7 8,-2.3 10,-0.1 2,-0.4 -0.978 39.5-122.3-154.3 152.9 -4.6 14.6 6.2 26 26 A V E -C 32 0A 16 -2,-0.3 6,-0.2 6,-0.2 2,-0.1 -0.856 31.3-138.3 -99.2 136.8 -7.6 13.1 7.9 27 27 A T > - 0 0 29 4,-2.2 3,-1.5 -2,-0.4 -16,-0.1 -0.446 26.1-105.9 -87.3 171.0 -10.9 15.1 7.2 28 28 A V T 3 S+ 0 0 136 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.708 121.2 61.6 -71.9 -17.5 -13.5 15.8 9.8 29 29 A A T 3 S- 0 0 89 2,-0.1 -1,-0.3 -17,-0.1 -18,-0.1 0.477 123.3-106.1 -81.4 0.7 -15.8 13.1 8.2 30 30 A G S < S+ 0 0 9 -3,-1.5 -19,-2.0 1,-0.3 2,-0.5 0.667 72.6 142.3 87.5 19.7 -12.9 10.6 9.1 31 31 A V - 0 0 26 -21,-0.1 -4,-2.2 2,-0.0 2,-0.9 -0.783 49.7-136.7 -94.0 131.6 -11.5 10.0 5.7 32 32 A L E -CD 26 228A 0 196,-2.6 196,-3.4 -2,-0.5 2,-0.9 -0.778 20.2-165.7 -86.8 103.5 -7.8 9.7 5.2 33 33 A Q E -CD 25 227A 33 -8,-2.3 -8,-1.7 -2,-0.9 194,-0.2 -0.849 6.1-174.7 -89.6 101.3 -7.1 11.8 2.0 34 34 A L S S+ 0 0 0 192,-2.4 2,-0.3 -2,-0.9 -11,-0.3 0.890 70.2 36.0 -65.0 -39.2 -3.6 10.7 1.0 35 35 A T S S- 0 0 0 191,-0.3 191,-0.4 -3,-0.1 -10,-0.1 -0.869 106.4 -74.5-119.0 152.6 -3.5 13.3 -1.8 36 36 A N + 0 0 70 -2,-0.3 8,-2.3 9,-0.1 2,-0.4 -0.078 46.8 177.1 -47.6 124.9 -4.8 16.9 -2.0 37 37 A V B -W 43 0C 21 6,-0.2 -4,-0.0 -4,-0.1 -1,-0.0 -1.000 21.4-134.4-128.7 133.8 -8.6 17.3 -2.5 38 38 A D > - 0 0 63 4,-2.7 3,-1.8 -2,-0.4 6,-0.0 -0.126 37.4 -86.3 -82.8-174.6 -10.2 20.7 -2.5 39 39 A K T 3 S+ 0 0 214 1,-0.3 -1,-0.1 2,-0.2 -2,-0.0 0.743 126.5 51.8 -68.3 -24.0 -13.4 21.7 -0.7 40 40 A N T 3 S- 0 0 143 2,-0.1 -1,-0.3 3,-0.0 -2,-0.0 0.432 123.6 -98.6 -88.3 -2.0 -15.7 20.5 -3.5 41 41 A G S < S+ 0 0 32 -3,-1.8 -2,-0.2 1,-0.3 184,-0.1 0.492 76.4 144.7 95.0 9.3 -14.1 17.0 -3.7 42 42 A V - 0 0 57 38,-0.1 -4,-2.7 1,-0.0 -1,-0.3 -0.685 45.9-133.2 -91.3 118.6 -11.9 17.9 -6.7 43 43 A P B -W 37 0C 1 0, 0.0 -6,-0.2 0, 0.0 182,-0.1 -0.281 18.6-135.4 -71.2 159.0 -8.6 16.3 -6.5 44 44 A E - 0 0 61 -8,-2.3 3,-0.4 180,-0.2 180,-0.3 -0.809 10.4-123.6-116.6 151.1 -5.4 18.4 -7.2 45 45 A P S S+ 0 0 43 0, 0.0 173,-0.2 0, 0.0 172,-0.1 -0.201 86.6 41.8 -84.9-177.9 -2.3 17.7 -9.3 46 46 A S S S+ 0 0 99 171,-2.0 2,-0.4 1,-0.2 172,-0.1 0.841 87.6 148.9 58.9 31.6 1.4 17.7 -8.2 47 47 A S + 0 0 4 -3,-0.4 169,-2.4 170,-0.2 2,-0.3 -0.835 26.2 170.0-110.2 144.7 0.3 15.8 -5.1 48 48 A L E + Q 0 215B 30 -2,-0.4 -25,-2.5 167,-0.2 2,-0.3 -0.968 8.2 162.8-147.5 125.8 2.0 13.2 -2.8 49 49 A G E -PQ 22 214B 0 165,-2.0 165,-2.0 -2,-0.3 2,-0.3 -0.991 11.7-171.7-144.1 155.7 1.0 11.9 0.7 50 50 A R E -PQ 21 213B 3 -29,-2.4 -29,-2.8 -2,-0.3 2,-0.3 -0.962 6.4-165.6-141.1 153.9 1.8 9.0 3.0 51 51 A A E +PQ 20 212B 0 161,-1.8 161,-2.4 -2,-0.3 2,-0.4 -0.974 14.4 179.5-139.5 125.5 0.3 7.6 6.3 52 52 A T E -PQ 19 211B 6 -33,-2.3 -33,-3.0 -2,-0.3 159,-0.2 -0.967 35.6-105.2-130.9 142.0 2.2 5.1 8.4 53 53 A Y E -P 18 0B 0 157,-1.9 -35,-0.2 -2,-0.4 157,-0.2 -0.460 32.6-130.2 -59.1 137.8 1.4 3.4 11.7 54 54 A S S S+ 0 0 11 -37,-2.7 -1,-0.1 -2,-0.1 -36,-0.1 0.785 82.6 78.0 -70.4 -26.6 3.5 5.0 14.4 55 55 A A S S- 0 0 0 -38,-0.3 155,-0.3 743,-0.1 704,-0.1 -0.717 81.9-121.8 -91.4 128.2 4.9 1.7 15.9 56 56 A P - 0 0 4 0, 0.0 2,-0.4 0, 0.0 153,-0.2 -0.173 26.7-141.4 -52.6 147.8 7.7 -0.3 14.2 57 57 A I E -R 208 0B 0 151,-2.8 151,-2.5 -53,-0.0 2,-0.9 -0.971 9.9-128.7-119.7 135.5 6.7 -3.9 13.4 58 58 A N E +R 207 0B 7 -2,-0.4 149,-0.2 149,-0.2 148,-0.1 -0.782 34.6 169.1 -84.5 104.5 9.1 -6.8 13.8 59 59 A I + 0 0 0 147,-2.2 9,-3.8 -2,-0.9 2,-0.3 0.728 62.6 2.4 -97.6 -25.8 8.9 -8.5 10.3 60 60 A W B -X 67 0D 42 146,-1.3 2,-0.4 7,-0.3 7,-0.2 -0.984 62.5-136.5-153.8 170.4 11.8 -10.9 10.7 61 61 A D > - 0 0 17 5,-2.3 4,-2.8 -2,-0.3 5,-0.2 -0.978 2.1-159.2-136.8 123.1 14.5 -12.1 13.2 62 62 A S T 4 S+ 0 0 78 -2,-0.4 -1,-0.1 2,-0.2 139,-0.0 0.837 92.6 55.8 -74.8 -29.6 18.2 -12.7 12.6 63 63 A A T 4 S+ 0 0 96 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 0.900 125.4 23.3 -69.7 -38.8 18.8 -14.9 15.6 64 64 A T T 4 S- 0 0 67 2,-0.1 -2,-0.2 -3,-0.1 -1,-0.2 0.710 93.9-136.7 -92.6 -26.4 16.0 -17.3 14.6 65 65 A G < + 0 0 45 -4,-2.8 -3,-0.2 1,-0.2 136,-0.1 0.370 57.1 142.8 75.6 -4.4 16.0 -16.5 10.8 66 66 A L - 0 0 68 -5,-0.2 -5,-2.3 172,-0.1 2,-0.3 -0.232 38.3-151.2 -65.1 154.8 12.1 -16.6 11.1 67 67 A V B -X 60 0D 19 -7,-0.2 171,-0.4 -3,-0.1 -7,-0.3 -0.964 18.1-111.0-128.2 145.9 9.9 -14.2 9.2 68 68 A A - 0 0 0 -9,-3.8 2,-0.4 -2,-0.3 169,-0.2 -0.378 15.5-143.6 -73.4 150.4 6.5 -12.8 10.1 69 69 A S E +E 236 0A 24 167,-2.2 167,-2.8 104,-0.1 2,-0.3 -0.837 29.7 178.6 -97.0 151.0 3.3 -13.6 8.4 70 70 A F E -EF 235 172A 5 102,-1.3 102,-2.8 -2,-0.4 2,-0.4 -0.992 21.3-160.1-146.7 164.6 0.9 -10.7 8.2 71 71 A A E -EF 234 171A 2 163,-2.6 163,-1.9 -2,-0.3 2,-0.3 -0.998 9.2-175.6-139.6 139.9 -2.5 -9.7 6.9 72 72 A T E -EF 233 170A 0 98,-3.3 98,-2.7 -2,-0.4 2,-0.4 -0.990 2.7-170.8-135.8 150.6 -3.8 -6.3 6.2 73 73 A S E +EF 232 169A 34 159,-2.7 159,-2.9 -2,-0.3 2,-0.3 -0.980 13.0 164.5-135.4 135.2 -7.3 -5.2 5.1 74 74 A F E -EF 231 168A 5 94,-1.7 94,-2.7 -2,-0.4 2,-0.4 -0.992 27.4-141.0-151.8 163.7 -8.4 -1.7 3.9 75 75 A R E +EF 230 167A 84 155,-1.8 154,-3.2 -2,-0.3 155,-1.1 -0.975 30.6 168.8-123.5 125.9 -11.2 0.1 2.2 76 76 A F E -EF 228 166A 0 90,-2.5 90,-3.3 -2,-0.4 2,-0.4 -0.952 23.7-147.2-143.3 153.1 -10.5 2.9 -0.3 77 77 A T E -EF 227 165A 15 150,-2.5 150,-2.4 -2,-0.3 2,-0.5 -0.980 3.5-167.0-121.5 135.8 -12.0 5.1 -3.0 78 78 A I - 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