==== 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 3UJO . 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) . 33983.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 696 69.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 414 41.2 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 . 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 . 118 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 52 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 29 2.9 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 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 . 2 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 . 10 11 4 4 11 9 8 6 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 . 2 1 0 1 0 1 3 0 0 0 0 0 0 1 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,-0.4 0, 0.0 233,-0.2 0.000 360.0 360.0 360.0 119.9 5.0 25.7 -5.7 2 25 A N E -A 233 0A 31 231,-1.1 231,-2.1 260,-0.1 2,-0.3 -0.585 360.0-163.3 -71.9 121.2 8.2 25.5 -3.7 3 26 A L E +AB 232 261A 47 258,-2.1 258,-3.1 -2,-0.4 2,-0.3 -0.806 18.6 173.8-112.3 150.0 7.5 26.4 -0.1 4 27 A I E +AB 231 260A 16 227,-1.7 227,-2.3 -2,-0.3 2,-0.3 -0.961 15.0 149.2-150.1 137.3 9.6 27.4 2.9 5 28 A S E +AB 230 259A 14 254,-2.6 254,-2.3 -2,-0.3 2,-0.3 -0.986 14.1 176.8-160.8 161.2 8.6 28.6 6.3 6 29 A F E -AB 229 258A 6 223,-2.2 223,-2.3 -2,-0.3 2,-0.4 -0.945 15.7-148.5-166.2 154.6 9.4 28.7 10.1 7 30 A T E -AB 228 257A 4 250,-2.2 250,-2.0 -2,-0.3 2,-0.5 -0.911 11.6-167.6-134.7 107.8 8.1 30.2 13.3 8 31 A F E +A 227 0A 7 219,-4.2 219,-1.2 -2,-0.4 3,-0.1 -0.795 26.7 151.3 -89.9 130.4 10.4 31.2 16.2 9 32 A K S S+ 0 0 66 -2,-0.5 2,-0.3 1,-0.3 -1,-0.1 0.363 84.5 32.0-125.0 -13.0 9.0 32.0 19.6 10 33 A K S S- 0 0 93 217,-0.1 -1,-0.3 18,-0.0 18,-0.1 -0.903 90.7-135.6-144.4 112.4 12.2 30.9 21.4 11 34 A F - 0 0 15 16,-0.3 2,-0.3 -2,-0.3 16,-0.2 -0.208 17.2-167.2 -75.3 157.3 15.5 31.4 19.5 12 35 A N - 0 0 38 1,-0.1 3,-0.5 13,-0.0 13,-0.1 -0.998 25.6-143.1-143.3 143.1 18.4 29.1 19.1 13 36 A E S > S+ 0 0 116 -2,-0.3 3,-1.9 1,-0.2 -1,-0.1 0.817 96.8 71.2 -69.2 -32.2 22.0 29.5 17.8 14 37 A T T 3 S+ 0 0 56 1,-0.3 -1,-0.2 292,-0.0 294,-0.0 0.777 105.9 36.8 -60.2 -30.0 21.9 26.1 16.1 15 38 A N T 3 S+ 0 0 15 -3,-0.5 36,-0.8 291,-0.1 2,-0.3 0.081 108.4 79.5-110.8 24.7 19.6 27.3 13.4 16 39 A L E < -O 50 0B 10 -3,-1.9 2,-0.3 34,-0.2 34,-0.2 -0.975 63.9-144.1-129.7 144.9 21.0 30.9 13.1 17 40 A I E -O 49 0B 55 32,-3.7 32,-2.0 -2,-0.3 2,-0.3 -0.831 12.8-149.8-103.3 146.7 24.1 32.3 11.3 18 41 A L E -O 48 0B 69 -2,-0.3 2,-0.4 30,-0.2 30,-0.2 -0.892 9.8-170.9-113.2 145.0 26.2 35.1 12.6 19 42 A Q - 0 0 21 28,-1.1 2,-1.7 -2,-0.3 3,-0.2 -0.986 60.1 -34.5-138.1 128.9 28.2 37.7 10.5 20 43 A R S S+ 0 0 116 -2,-0.4 26,-0.2 1,-0.2 -2,-0.0 -0.461 133.0 3.0 68.7 -81.1 30.8 40.2 11.8 21 44 A D S S+ 0 0 27 24,-2.1 12,-0.5 -2,-1.7 -1,-0.2 0.014 91.4 130.9-132.8 30.0 29.4 41.2 15.2 22 45 A A - 0 0 15 -3,-0.2 2,-0.3 25,-0.2 9,-0.1 -0.335 30.1-171.1 -81.0 164.4 26.3 39.1 15.9 23 46 A T - 0 0 53 7,-0.3 2,-0.5 -2,-0.1 7,-0.2 -0.940 9.1-161.7-158.2 136.0 25.4 37.1 19.1 24 47 A V + 0 0 9 -2,-0.3 2,-0.3 5,-0.1 -11,-0.2 -0.943 37.8 108.2-127.7 110.6 22.7 34.6 20.1 25 48 A S B > +V 28 0C 83 3,-0.8 3,-0.8 -2,-0.5 5,-0.4 -0.982 44.2 43.5-167.8 163.7 21.9 33.8 23.7 26 49 A S T 3 S- 0 0 103 -2,-0.3 -1,-0.1 1,-0.2 3,-0.0 0.912 111.2 -60.8 60.9 58.0 19.5 34.1 26.7 27 50 A G T 3 S+ 0 0 48 -16,-0.2 -16,-0.3 -3,-0.1 2,-0.3 0.352 119.5 66.4 65.0 -5.8 15.9 33.5 25.3 28 51 A K B < S-V 25 0C 70 -3,-0.8 2,-1.0 -18,-0.1 -3,-0.8 -0.935 85.6-107.9-142.0 163.3 16.1 36.5 23.0 29 52 A L E -C 224 0A 1 195,-2.2 195,-1.2 -2,-0.3 2,-1.0 -0.752 32.7-178.5 -97.5 88.2 17.9 37.7 19.9 30 53 A R E -C 223 0A 96 -2,-1.0 -7,-0.3 -5,-0.4 193,-0.2 -0.780 1.2-176.9 -86.0 101.7 20.3 40.4 21.0 31 54 A I + 0 0 0 191,-2.2 2,-0.4 -2,-1.0 16,-0.2 0.796 63.6 66.0 -75.1 -30.3 21.8 41.5 17.7 32 55 A T S S- 0 0 7 190,-0.7 2,-1.3 14,-0.1 190,-0.1 -0.806 101.0-103.3 -95.5 133.7 24.2 44.0 19.2 33 56 A K - 0 0 107 -12,-0.5 2,-0.4 -2,-0.4 8,-0.3 -0.342 50.0-163.4 -54.3 88.3 27.0 42.8 21.5 34 57 A A - 0 0 44 -2,-1.3 -1,-0.1 -4,-0.2 -4,-0.0 -0.671 9.4-135.1 -88.8 129.0 25.3 43.9 24.7 35 58 A A - 0 0 45 4,-1.2 3,-0.5 -2,-0.4 4,-0.1 -0.214 29.9-102.4 -71.0 168.1 27.3 44.2 28.0 36 59 A E S S+ 0 0 200 1,-0.2 -1,-0.1 2,-0.1 -2,-0.0 0.854 122.0 52.6 -62.7 -37.8 26.0 42.8 31.3 37 60 A N S S- 0 0 154 2,-0.0 -1,-0.2 1,-0.0 -3,-0.0 0.770 124.7-100.9 -67.7 -27.7 25.0 46.3 32.5 38 61 A G + 0 0 43 -3,-0.5 -2,-0.1 1,-0.2 -4,-0.1 0.789 63.7 163.0 102.3 51.2 23.0 46.9 29.3 39 62 A V - 0 0 74 -4,-0.1 -4,-1.2 -6,-0.0 2,-0.4 -0.902 33.3-141.3-109.7 119.2 25.4 49.1 27.4 40 63 A P - 0 0 11 0, 0.0 2,-0.5 0, 0.0 -6,-0.1 -0.668 21.5-144.4 -75.3 126.5 25.1 49.7 23.6 41 64 A T - 0 0 77 -2,-0.4 3,-0.2 -8,-0.3 2,-0.2 -0.820 7.3-134.5-100.5 128.6 28.5 49.7 22.0 42 65 A A S S+ 0 0 30 -2,-0.5 172,-0.2 1,-0.2 174,-0.1 -0.475 82.8 43.4 -79.2 150.1 29.3 52.0 19.1 43 66 A G S S+ 0 0 44 170,-1.5 2,-0.2 1,-0.2 -1,-0.2 0.916 86.6 131.5 79.9 50.0 31.2 50.8 16.0 44 67 A S - 0 0 7 169,-0.2 168,-0.8 -3,-0.2 58,-0.3 -0.633 43.6-160.6-123.1 178.2 29.3 47.5 15.7 45 68 A L E - P 0 211B 0 -2,-0.2 -24,-2.1 166,-0.2 2,-0.2 -0.468 11.8-167.0-165.3 86.8 27.6 45.4 13.0 46 69 A G E + P 0 210B 0 164,-0.8 164,-3.1 -25,-0.2 2,-0.3 -0.569 8.4 177.2 -79.4 138.9 25.1 42.7 14.1 47 70 A R E + P 0 209B 4 -2,-0.2 -28,-1.1 162,-0.2 2,-0.5 -0.772 3.8 173.9-148.0 97.8 24.0 40.1 11.5 48 71 A A E +OP 18 208B 2 160,-2.2 160,-2.7 -2,-0.3 2,-0.3 -0.918 13.2 169.3-108.0 127.3 21.6 37.2 12.4 49 72 A F E -OP 17 207B 0 -32,-2.0 -32,-3.7 -2,-0.5 158,-0.2 -0.971 37.2-105.9-139.3 150.0 20.3 35.0 9.6 50 73 A Y E -O 16 0B 2 156,-2.0 156,-0.2 -2,-0.3 -34,-0.2 -0.443 34.9-122.4 -69.9 147.5 18.4 31.7 9.0 51 74 A S S S+ 0 0 29 -36,-0.8 -1,-0.1 -2,-0.1 -35,-0.1 0.770 89.6 74.7 -69.3 -29.5 20.7 28.9 7.8 52 75 A T S S- 0 0 0 -37,-0.2 154,-0.4 154,-0.1 217,-0.1 -0.742 81.8-127.8 -87.8 128.0 18.7 28.1 4.6 53 76 A P - 0 0 10 0, 0.0 2,-0.5 0, 0.0 152,-0.2 -0.481 24.6-135.3 -65.5 144.0 19.1 30.5 1.6 54 77 A I E -Q 204 0B 6 150,-2.7 150,-1.4 -2,-0.1 2,-0.3 -0.925 11.6-126.4-112.7 125.4 15.7 31.6 0.3 55 78 A Q E +Q 203 0B 15 -2,-0.5 148,-0.2 148,-0.2 3,-0.1 -0.503 25.1 178.7 -73.0 129.2 15.0 31.7 -3.4 56 79 A I + 0 0 3 146,-2.8 9,-3.4 1,-0.3 2,-0.3 0.865 67.3 3.1 -95.1 -50.5 13.7 35.1 -4.7 57 80 A W B -W 64 0D 52 145,-0.4 -1,-0.3 7,-0.2 7,-0.2 -0.999 67.6-129.0-143.4 144.9 13.3 34.4 -8.5 58 81 A D - 0 0 19 5,-2.1 7,-0.0 -2,-0.3 0, 0.0 -0.593 5.4-161.8 -91.5 151.5 13.7 31.4 -10.8 59 82 A N S S+ 0 0 117 -2,-0.2 -1,-0.1 3,-0.1 143,-0.0 0.809 88.2 54.6 -95.0 -41.2 15.8 31.3 -14.0 60 83 A T S S+ 0 0 116 1,-0.2 -1,-0.1 3,-0.1 -2,-0.0 0.756 129.7 15.1 -69.1 -28.8 14.3 28.1 -15.6 61 84 A T S S- 0 0 54 2,-0.1 176,-0.2 175,-0.0 -1,-0.2 0.641 95.3-130.2-114.2 -29.7 10.7 29.4 -15.4 62 85 A G + 0 0 57 1,-0.2 2,-0.4 174,-0.1 -3,-0.1 0.864 52.9 148.3 77.8 40.1 11.2 33.1 -14.7 63 86 A T - 0 0 6 171,-0.2 -5,-2.1 172,-0.1 -1,-0.2 -0.912 40.4-135.4-113.4 134.5 8.8 33.3 -11.8 64 87 A V B -W 57 0D 21 -2,-0.4 170,-0.8 -7,-0.2 2,-0.4 -0.568 19.6-123.9 -86.6 146.5 9.2 35.6 -8.8 65 88 A A E -D 233 0A 0 -9,-3.4 2,-0.5 -2,-0.2 168,-0.2 -0.754 12.9-146.6 -94.4 135.1 8.6 34.4 -5.2 66 89 A S E -D 232 0A 2 166,-2.2 166,-2.5 -2,-0.4 2,-0.3 -0.857 25.8-179.2 -96.4 132.5 6.1 36.1 -2.8 67 90 A W E -DE 231 168A 4 101,-0.5 101,-2.9 -2,-0.5 2,-0.3 -0.834 16.3-161.4-131.3 166.8 7.2 36.1 0.8 68 91 A A E -DE 230 167A 0 162,-2.8 162,-2.6 -2,-0.3 2,-0.3 -0.993 7.5-178.4-147.7 148.1 6.0 37.2 4.3 69 92 A T E -DE 229 166A 0 97,-2.9 97,-2.8 -2,-0.3 2,-0.4 -0.997 6.6-172.1-149.5 145.3 7.6 37.9 7.7 70 93 A S E +DE 228 165A 0 158,-1.8 158,-2.6 -2,-0.3 2,-0.3 -0.990 15.2 159.7-141.3 132.2 6.5 38.9 11.2 71 94 A F E -DE 227 164A 0 93,-1.3 93,-3.6 -2,-0.4 2,-0.6 -0.986 34.5-130.5-149.7 155.6 8.7 39.8 14.2 72 95 A T E + E 0 163A 8 154,-1.7 153,-3.0 -2,-0.3 154,-0.4 -0.926 38.4 170.8-113.7 108.6 8.6 41.6 17.5 73 96 A F E -DE 224 162A 4 89,-1.8 89,-1.2 -2,-0.6 2,-0.4 -0.796 20.7-152.5-123.5 158.9 11.5 44.1 18.0 74 97 A N E -D 223 0A 18 149,-1.5 149,-1.1 -2,-0.3 2,-0.6 -0.996 5.9-159.6-135.5 133.6 12.6 46.9 20.4 75 98 A L + 0 0 6 -2,-0.4 84,-1.1 85,-0.4 2,-0.5 -0.901 24.0 179.0-111.3 101.7 14.7 50.0 19.9 76 99 A Q + 0 0 96 -2,-0.6 145,-1.2 82,-0.2 82,-0.1 -0.908 9.2 171.4-115.1 122.8 15.9 51.1 23.3 77 100 A A - 0 0 5 -2,-0.5 143,-0.1 143,-0.2 -2,-0.0 -0.997 30.5-145.7-128.2 131.4 18.2 54.1 24.0 78 101 A P S S+ 0 0 113 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 0.801 99.1 46.3 -62.3 -32.0 19.1 55.5 27.5 79 102 A N S > S- 0 0 93 140,-0.4 3,-0.6 3,-0.2 140,-0.1 -0.974 70.7-167.6-113.7 118.2 19.2 59.0 26.0 80 103 A A T 3 S+ 0 0 47 -2,-0.5 -1,-0.1 1,-0.2 76,-0.0 0.771 83.4 61.1 -75.7 -29.0 16.2 59.7 23.7 81 104 A A T 3 S+ 0 0 92 1,-0.2 -1,-0.2 -4,-0.0 137,-0.0 0.594 107.2 47.0 -75.9 -12.5 17.6 62.8 22.1 82 105 A S S < S+ 0 0 14 -3,-0.6 137,-0.5 137,-0.1 2,-0.5 -0.643 70.6 158.2-133.4 77.3 20.6 60.9 20.6 83 106 A P - 0 0 5 0, 0.0 2,-0.3 0, 0.0 137,-0.1 -0.889 19.4-160.0-105.7 129.7 19.6 57.7 18.9 84 107 A A - 0 0 2 -2,-0.5 129,-0.6 43,-0.1 136,-0.5 -0.913 42.3 -39.6-159.3 131.7 21.8 55.9 16.2 85 108 A D E -R 212 0B 9 127,-0.3 41,-0.6 -2,-0.3 42,-0.4 -0.773 51.6-163.4-118.6 -44.2 21.2 54.0 14.2 86 109 A G E -R 211 0B 1 125,-1.1 125,-1.0 -2,-0.1 2,-0.2 -0.755 29.2 -71.5 125.8-173.8 18.9 50.9 14.2 87 110 A L E -R 210 0B 1 37,-0.3 37,-1.8 -2,-0.2 2,-0.3 -0.599 25.4-152.9-115.8 175.0 18.3 47.7 12.2 88 111 A A E -RS 209 123B 0 121,-1.7 121,-2.1 35,-0.2 2,-1.3 -0.941 30.1-114.9-152.4 128.6 16.9 46.6 8.9 89 112 A F E -RS 208 122B 0 33,-1.6 33,-0.8 -2,-0.3 119,-0.2 -0.472 50.9-156.7 -64.9 93.8 15.3 43.3 7.8 90 113 A A E -RS 207 121B 0 -2,-1.3 117,-2.0 117,-0.5 2,-0.3 -0.486 32.1-167.9 -89.0 143.0 18.0 42.4 5.4 91 114 A L E +RS 206 120B 6 29,-1.1 29,-0.5 115,-0.2 115,-0.2 -0.665 33.3 168.2-119.7 71.3 17.9 40.1 2.4 92 115 A V E -R 205 0B 1 113,-1.2 113,-3.1 -2,-0.3 27,-0.1 -0.478 39.8 -96.9 -86.1 153.6 21.7 39.9 1.8 93 116 A P E > -R 204 0B 10 0, 0.0 3,-0.7 0, 0.0 111,-0.2 -0.369 23.3-132.8 -65.4 150.2 23.5 37.5 -0.5 94 117 A V T 3 S+ 0 0 75 109,-0.5 2,-0.7 1,-0.3 110,-0.1 0.877 106.1 52.8 -70.4 -39.6 25.0 34.3 1.1 95 118 A G T 3 S+ 0 0 87 2,-0.0 2,-0.3 -3,-0.0 -1,-0.3 -0.331 97.9 85.1 -92.9 50.2 28.3 34.8 -0.7 96 119 A S < - 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