==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-NOV-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING PROTEIN 08-NOV-11 3UJQ . COMPND 2 MOLECULE: LEGUME LECTIN; . SOURCE 2 ORGANISM_SCIENTIFIC: DOLICHOS LABLAB; . AUTHOR K.N.SHETTY,V.L.LATHA,R.N.RAO,N.SIVAKUMAR,K.SUGUNA . 1006 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33918.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 692 68.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 0.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 413 41.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 14 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 0.5 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 . 119 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 45 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 34 3.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 0.7 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 3 1 0 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 . 3 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 7 5 6 12 11 5 7 4 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 2 1 0 0 2 2 0 0 0 0 0 1 0 1 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 24 A A 0 0 21 0, 0.0 2,-0.6 0, 0.0 233,-0.2 0.000 360.0 360.0 360.0 113.9 4.8 26.3 5.3 2 25 A N E -A 233 0A 20 231,-0.9 231,-1.8 260,-0.1 2,-0.3 -0.683 360.0-167.4 -75.2 114.6 8.2 26.4 3.5 3 26 A L E +AB 232 261A 42 258,-1.3 258,-2.9 -2,-0.6 2,-0.3 -0.751 19.5 173.6-110.7 153.6 7.5 25.5 -0.1 4 27 A I E +AB 231 260A 16 227,-1.5 227,-2.4 -2,-0.3 2,-0.3 -0.911 12.8 155.4-157.6 128.9 9.6 24.5 -3.1 5 28 A S E +AB 230 259A 12 254,-2.9 254,-2.9 -2,-0.3 2,-0.3 -0.995 11.2 173.3-154.8 152.8 8.5 23.3 -6.5 6 29 A F E -AB 229 258A 4 223,-2.4 223,-2.5 -2,-0.3 2,-0.4 -0.963 14.4-154.4-159.7 148.1 9.5 23.1 -10.2 7 30 A T E -AB 228 257A 1 250,-2.2 250,-1.8 -2,-0.3 2,-0.6 -0.945 8.9-166.3-130.6 111.8 8.3 21.5 -13.4 8 31 A F E +A 227 0A 10 219,-3.7 219,-1.4 -2,-0.4 3,-0.2 -0.860 26.4 153.3 -95.0 122.2 10.6 20.6 -16.3 9 32 A K S S+ 0 0 75 -2,-0.6 2,-0.3 1,-0.3 -1,-0.2 0.436 84.7 32.2-112.1 -15.0 9.0 19.8 -19.7 10 33 A K S S- 0 0 105 -3,-0.2 -1,-0.3 217,-0.1 18,-0.1 -0.915 89.4-136.3-144.0 112.7 12.3 20.9 -21.4 11 34 A F - 0 0 18 -2,-0.3 2,-0.3 214,-0.3 16,-0.2 -0.312 17.1-169.6 -76.6 150.3 15.6 20.4 -19.6 12 35 A N - 0 0 44 1,-0.1 3,-0.4 -2,-0.1 13,-0.1 -0.990 24.2-141.7-137.2 145.6 18.5 22.8 -19.3 13 36 A E S > S+ 0 0 116 -2,-0.3 3,-2.1 1,-0.2 -1,-0.1 0.828 95.1 71.0 -72.8 -33.3 22.1 22.4 -18.1 14 37 A T T 3 S+ 0 0 62 1,-0.3 -1,-0.2 292,-0.0 294,-0.0 0.767 106.1 38.0 -59.4 -30.1 22.2 25.8 -16.4 15 38 A N T 3 S+ 0 0 14 -3,-0.4 36,-0.5 291,-0.1 2,-0.4 -0.055 105.0 86.4-110.5 31.4 19.8 24.6 -13.7 16 39 A L < - 0 0 10 -3,-2.1 2,-0.3 34,-0.2 34,-0.2 -0.994 64.5-143.5-134.4 129.5 21.2 21.1 -13.3 17 40 A I E -N 49 0B 55 32,-3.1 32,-2.2 -2,-0.4 2,-0.4 -0.669 17.4-154.8 -84.7 143.0 24.1 19.7 -11.2 18 41 A L E -N 48 0B 63 -2,-0.3 2,-0.4 30,-0.2 30,-0.2 -0.973 10.1-173.8-122.5 135.6 26.2 17.0 -12.7 19 42 A Q E -N 47 0B 25 28,-2.1 28,-0.6 -2,-0.4 2,-0.5 -0.997 57.0 -33.0-130.4 136.4 28.3 14.4 -10.8 20 43 A R E S+N 46 0B 118 -2,-0.4 26,-0.2 1,-0.2 -2,-0.0 -0.451 130.7 1.6 61.6-108.5 30.7 11.8 -12.2 21 44 A D S S+ 0 0 27 24,-3.0 -1,-0.2 -2,-0.5 12,-0.2 -0.052 93.7 134.6-106.2 31.7 29.6 10.6 -15.7 22 45 A A - 0 0 15 -3,-0.4 2,-0.3 25,-0.2 9,-0.2 -0.477 29.3-175.1 -80.9 150.8 26.4 12.8 -16.1 23 46 A T - 0 0 53 7,-0.7 2,-0.5 -2,-0.1 7,-0.2 -0.984 12.8-160.0-148.3 136.5 25.6 14.7 -19.3 24 47 A V + 0 0 11 -2,-0.3 2,-0.3 5,-0.1 -11,-0.2 -0.914 43.2 101.3-123.1 104.6 22.8 17.2 -20.2 25 48 A S B > +T 28 0C 79 -2,-0.5 3,-1.0 3,-0.5 5,-0.4 -0.972 43.6 50.4-164.0 172.4 21.9 17.7 -23.9 26 49 A S T 3 S- 0 0 88 -2,-0.3 -1,-0.1 1,-0.2 3,-0.0 0.907 111.5 -61.5 55.4 61.4 19.7 17.0 -26.9 27 50 A G T 3 S+ 0 0 65 -16,-0.2 2,-0.2 1,-0.1 -1,-0.2 0.478 120.3 59.6 55.5 6.5 16.1 17.6 -25.7 28 51 A K B < S-T 25 0C 64 -3,-1.0 2,-0.6 -18,-0.1 -3,-0.5 -0.846 87.8-100.8-147.9-178.8 16.3 14.9 -23.0 29 52 A L - 0 0 1 195,-1.4 2,-1.0 -2,-0.2 195,-0.5 -0.751 32.4-178.2-116.7 82.0 18.2 13.8 -19.9 30 53 A R - 0 0 82 -2,-0.6 -7,-0.7 -5,-0.4 193,-0.2 -0.723 4.9-171.6 -78.4 104.4 20.7 11.1 -20.9 31 54 A I + 0 0 1 191,-1.8 16,-0.3 -2,-1.0 2,-0.2 0.828 65.1 57.1 -72.5 -33.2 22.2 10.3 -17.5 32 55 A T S S- 0 0 6 190,-0.5 2,-1.5 14,-0.1 -10,-0.1 -0.657 102.0 -93.7 -98.2 155.8 24.9 8.0 -18.9 33 56 A K - 0 0 118 -2,-0.2 2,-0.3 -12,-0.2 8,-0.3 -0.518 52.4-171.5 -69.9 89.9 27.6 8.9 -21.4 34 57 A A - 0 0 35 -2,-1.5 -4,-0.0 -4,-0.1 187,-0.0 -0.640 16.0-125.0 -88.1 142.7 25.9 7.8 -24.6 35 58 A A > - 0 0 42 4,-1.5 3,-0.7 -2,-0.3 -1,-0.1 -0.150 26.4-103.8 -76.7 174.8 27.6 7.6 -28.0 36 59 A E T 3 S+ 0 0 198 1,-0.2 -1,-0.1 2,-0.1 -2,-0.0 0.839 121.4 53.6 -68.4 -35.2 26.5 9.3 -31.2 37 60 A N T 3 S- 0 0 151 2,-0.0 -1,-0.2 1,-0.0 -3,-0.0 0.524 126.4 -99.4 -76.8 -6.9 25.3 6.0 -32.7 38 61 A G < + 0 0 43 -3,-0.7 -2,-0.1 1,-0.2 183,-0.0 0.913 66.3 163.2 83.9 53.7 23.2 5.4 -29.6 39 62 A V - 0 0 73 181,-0.0 -4,-1.5 -6,-0.0 2,-0.4 -0.920 35.0-136.6-111.7 122.2 25.5 3.1 -27.8 40 63 A P - 0 0 21 0, 0.0 2,-0.4 0, 0.0 -6,-0.1 -0.651 21.4-144.8 -76.1 126.0 25.2 2.3 -24.0 41 64 A T - 0 0 70 -2,-0.4 2,-0.3 -8,-0.3 3,-0.2 -0.804 6.9-140.2 -98.3 130.5 28.6 2.3 -22.3 42 65 A A S S+ 0 0 33 -2,-0.4 172,-0.1 1,-0.2 174,-0.1 -0.632 79.0 42.8 -89.5 146.4 29.3 -0.1 -19.4 43 66 A G S S+ 0 0 42 170,-1.2 2,-0.3 -2,-0.3 -1,-0.2 0.890 86.9 129.1 85.2 49.2 31.3 1.0 -16.4 44 67 A S - 0 0 6 169,-0.2 168,-1.6 -3,-0.2 58,-0.3 -0.832 45.6-155.9-132.3 164.9 29.6 4.3 -15.9 45 68 A L E - O 0 211B 0 -2,-0.3 -24,-3.0 166,-0.2 2,-0.3 -0.788 13.1-167.8-148.2 100.4 27.9 6.4 -13.1 46 69 A G E +NO 20 210B 0 164,-2.0 164,-2.9 -2,-0.3 2,-0.3 -0.692 8.1 175.5 -91.3 141.8 25.4 9.1 -14.0 47 70 A R E +NO 19 209B 2 -28,-0.6 -28,-2.1 -2,-0.3 2,-0.5 -0.814 2.6 173.8-150.1 103.3 24.2 11.7 -11.5 48 71 A A E +NO 18 208B 3 160,-1.4 160,-2.5 -2,-0.3 2,-0.3 -0.951 14.7 169.6-114.2 127.8 21.9 14.6 -12.4 49 72 A F E -NO 17 207B 0 -32,-2.2 -32,-3.1 -2,-0.5 2,-0.2 -0.874 35.1-104.2-135.9 163.5 20.5 16.9 -9.6 50 73 A Y - 0 0 2 156,-2.0 156,-0.3 -2,-0.3 -34,-0.2 -0.632 32.0-124.9 -87.0 148.2 18.6 20.1 -8.9 51 74 A S S S+ 0 0 30 -36,-0.5 -1,-0.1 -2,-0.2 -35,-0.1 0.834 87.5 72.7 -65.8 -39.1 20.6 23.1 -7.6 52 75 A T S S- 0 0 0 154,-0.1 154,-0.4 217,-0.1 -2,-0.1 -0.654 81.3-127.5 -83.6 129.6 18.6 23.8 -4.4 53 76 A P - 0 0 5 0, 0.0 2,-0.5 0, 0.0 152,-0.2 -0.473 25.0-136.4 -66.5 147.3 18.9 21.4 -1.4 54 77 A I E -U 204 0D 5 150,-2.1 150,-1.1 -2,-0.1 2,-0.2 -0.946 10.0-129.0-118.4 125.3 15.6 20.2 -0.2 55 78 A Q E +U 203 0D 14 -2,-0.5 148,-0.2 148,-0.2 147,-0.1 -0.468 24.6 175.6 -75.0 137.8 14.7 20.0 3.5 56 79 A I + 0 0 2 146,-2.0 9,-4.0 1,-0.4 2,-0.3 0.737 68.3 2.6-107.9 -40.4 13.2 16.7 4.9 57 80 A W B -W 64 0E 48 145,-0.4 -1,-0.4 7,-0.3 7,-0.2 -0.995 65.2-129.8-151.3 151.3 13.0 17.5 8.7 58 81 A D - 0 0 23 5,-1.3 177,-0.0 -2,-0.3 7,-0.0 -0.548 2.5-159.0 -98.1 163.4 13.6 20.4 11.0 59 82 A N S S+ 0 0 115 -2,-0.2 -1,-0.1 3,-0.1 143,-0.0 0.718 89.5 54.8-108.5 -36.5 15.6 20.6 14.3 60 83 A T S S+ 0 0 120 1,-0.1 -2,-0.0 3,-0.1 -1,-0.0 0.669 132.6 12.4 -75.5 -18.6 14.1 23.6 16.0 61 84 A T S S- 0 0 58 2,-0.1 176,-0.1 175,-0.0 -1,-0.1 0.584 94.5-130.9-123.5 -33.2 10.6 22.3 15.8 62 85 A G + 0 0 53 1,-0.2 2,-0.5 174,-0.1 -3,-0.1 0.935 48.9 154.3 76.0 51.5 11.1 18.6 14.7 63 86 A T - 0 0 5 171,-0.2 -5,-1.3 172,-0.1 -1,-0.2 -0.955 37.0-136.6-119.3 126.0 8.7 18.5 11.8 64 87 A V B -W 57 0E 23 -2,-0.5 170,-0.6 -7,-0.2 2,-0.4 -0.520 19.6-128.9 -81.0 143.7 9.0 16.1 8.9 65 88 A A E -C 233 0A 0 -9,-4.0 2,-0.4 -2,-0.2 168,-0.2 -0.772 10.0-143.3 -98.0 135.7 8.4 17.4 5.3 66 89 A S E +C 232 0A 4 166,-1.8 166,-3.3 -2,-0.4 2,-0.3 -0.774 26.3 176.7 -92.7 140.8 6.1 15.8 2.8 67 90 A W E -CD 231 168A 6 101,-0.5 101,-2.8 -2,-0.4 2,-0.3 -0.967 16.3-161.6-144.3 158.1 7.1 15.8 -0.9 68 91 A A E -CD 230 167A 0 162,-3.0 162,-2.7 -2,-0.3 2,-0.3 -0.998 6.6-175.8-142.4 144.4 6.0 14.6 -4.3 69 92 A T E -CD 229 166A 0 97,-3.2 97,-2.5 -2,-0.3 2,-0.3 -0.972 4.6-170.4-138.5 153.4 7.7 14.0 -7.6 70 93 A S E +CD 228 165A 0 158,-2.6 158,-3.0 -2,-0.3 2,-0.3 -0.965 15.0 158.5-147.6 128.7 6.7 12.9 -11.2 71 94 A F E -CD 227 164A 0 93,-1.1 93,-3.2 -2,-0.3 2,-0.7 -0.983 38.5-131.7-148.0 156.0 8.8 12.0 -14.2 72 95 A T E + D 0 163A 9 154,-1.9 153,-2.3 -2,-0.3 2,-0.3 -0.795 39.4 176.1-110.0 86.1 8.7 10.1 -17.5 73 96 A F E -C 224 0A 7 -2,-0.7 89,-0.5 89,-0.6 2,-0.4 -0.676 14.2-150.5 -97.5 147.6 11.9 7.9 -17.4 74 97 A N E -C 223 0A 16 149,-3.1 149,-1.8 -2,-0.3 2,-0.5 -0.944 11.5-168.1-124.3 135.8 12.9 5.3 -20.0 75 98 A L E +C 222 0A 8 -2,-0.4 84,-2.5 85,-0.3 2,-0.4 -0.977 16.6 175.1-119.8 115.9 14.9 2.1 -19.9 76 99 A Q E +C 221 0A 99 145,-0.7 145,-2.4 -2,-0.5 82,-0.1 -0.982 3.7 174.2-127.7 125.1 15.8 0.7 -23.3 77 100 A A - 0 0 3 -2,-0.4 143,-0.1 143,-0.2 -2,-0.0 -0.989 26.3-148.3-129.6 136.8 18.0 -2.4 -23.9 78 101 A P S S+ 0 0 104 0, 0.0 2,-0.4 0, 0.0 -1,-0.2 0.988 89.4 48.5 -64.0 -60.9 18.9 -4.1 -27.2 79 102 A N - 0 0 87 3,-0.2 3,-0.4 140,-0.2 140,-0.1 -0.672 68.3-157.1 -84.3 133.7 19.2 -7.7 -25.7 80 103 A A S S+ 0 0 66 -2,-0.4 -1,-0.1 1,-0.2 -3,-0.0 0.692 92.1 58.4 -81.0 -21.3 16.4 -8.8 -23.5 81 104 A A S S+ 0 0 81 1,-0.2 -1,-0.2 0, 0.0 137,-0.1 0.534 107.3 49.1 -85.5 -8.1 18.6 -11.4 -21.7 82 105 A S + 0 0 9 -3,-0.4 137,-1.0 137,-0.1 2,-0.5 -0.565 63.8 152.3-136.0 72.0 21.1 -8.8 -20.6 83 106 A P - 0 0 6 0, 0.0 2,-0.3 0, 0.0 137,-0.1 -0.906 26.9-158.7-102.1 125.1 19.6 -5.7 -18.9 84 107 A A - 0 0 1 -2,-0.5 129,-0.5 43,-0.1 136,-0.5 -0.935 36.6 -38.9-159.2 132.3 21.8 -3.9 -16.3 85 108 A D E -P 212 0B 8 -2,-0.3 41,-1.6 127,-0.3 42,-0.6 -0.778 52.7-151.1-119.5 -45.1 21.4 -2.1 -14.1 86 109 A G E -PQ 211 125B 0 125,-1.1 125,-1.7 39,-0.2 2,-0.3 -0.872 22.4 -84.2 140.4-173.1 18.9 0.7 -13.7 87 110 A L E -PQ 210 124B 0 37,-0.6 37,-1.4 -2,-0.3 2,-0.3 -0.837 23.2-152.9-129.1 166.8 18.4 4.1 -11.9 88 111 A A E -PQ 209 123B 0 121,-2.0 121,-2.9 -2,-0.3 2,-1.4 -0.997 29.5-113.8-144.4 138.0 17.1 5.4 -8.5 89 112 A F E - 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