==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JUN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING PROTEIN 03-DEC-98 2SBA . COMPND 2 MOLECULE: LECTIN; . SOURCE 2 ORGANISM_SCIENTIFIC: GLYCINE MAX; . AUTHOR A.DESSEN,D.GUPTA,S.SABESAN,C.F.BREWER,J.C.SACCHETTINI . 231 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9448.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 152 65.8 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 . 98 42.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 1.3 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 . 23 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 4 1.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 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 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 . 2 3 0 2 3 2 3 1 1 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 . 0 0 0 0 0 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 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 95 0, 0.0 2,-0.6 0, 0.0 228,-0.0 0.000 360.0 360.0 360.0-164.6 -12.9 126.8 62.5 2 2 A E E -A 230 0A 91 228,-1.9 228,-1.8 56,-0.1 2,-0.4 -0.906 360.0-177.7-112.7 127.5 -10.2 125.8 65.0 3 3 A T E +A 229 0A 110 -2,-0.6 2,-0.3 226,-0.2 226,-0.2 -0.961 11.2 159.6-127.5 141.5 -6.7 125.3 63.9 4 4 A V E +A 228 0A 43 224,-1.4 224,-2.5 -2,-0.4 2,-0.3 -0.994 4.1 165.6-150.0 152.6 -3.5 124.3 65.4 5 5 A S E +A 227 0A 82 -2,-0.3 2,-0.3 222,-0.2 222,-0.2 -0.956 4.9 177.3-161.1 153.6 -0.2 122.9 64.2 6 6 A F E -A 226 0A 14 220,-2.2 220,-2.9 -2,-0.3 2,-0.3 -0.981 4.0-171.8-154.8 156.0 3.3 122.4 65.4 7 7 A S E -A 225 0A 70 -2,-0.3 2,-0.3 218,-0.2 218,-0.2 -0.942 2.9-178.8-156.2 131.8 6.5 120.8 64.1 8 8 A W E -A 224 0A 42 216,-1.9 216,-1.7 -2,-0.3 3,-0.1 -0.999 18.3-169.9-132.8 134.1 10.0 120.0 65.6 9 9 A N S S+ 0 0 102 -2,-0.3 2,-0.3 214,-0.2 -1,-0.1 0.655 86.7 13.3 -89.3 -19.1 13.1 118.5 63.8 10 10 A K S S- 0 0 62 214,-0.1 2,-0.4 21,-0.0 -1,-0.2 -0.952 79.9-110.3-150.4 159.6 14.7 118.1 67.3 11 11 A F - 0 0 10 19,-2.3 212,-0.0 -2,-0.3 211,-0.0 -0.785 24.2-145.4-100.4 134.3 13.7 118.2 71.0 12 12 A V > - 0 0 53 -2,-0.4 3,-1.3 17,-0.0 16,-0.1 -0.918 25.7-116.7-102.2 121.2 15.0 121.1 73.2 13 13 A P T 3 S+ 0 0 71 0, 0.0 14,-0.1 0, 0.0 19,-0.0 -0.277 97.5 12.3 -59.1 138.9 15.8 120.1 76.7 14 14 A K T 3 S+ 0 0 98 1,-0.2 11,-0.0 12,-0.1 -3,-0.0 0.825 85.6 172.1 61.7 36.0 13.6 121.8 79.2 15 15 A Q X - 0 0 26 -3,-1.3 3,-0.5 1,-0.1 -1,-0.2 -0.654 33.6-139.5 -79.8 130.7 11.2 123.1 76.6 16 16 A P T 3 S+ 0 0 127 0, 0.0 -1,-0.1 0, 0.0 3,-0.0 0.112 94.4 62.7 -72.9 13.1 8.1 124.8 78.1 17 17 A N T 3 S+ 0 0 55 37,-0.1 37,-4.0 36,-0.0 2,-0.3 0.663 93.5 62.7-110.7 -29.2 5.7 123.2 75.4 18 18 A M E < S-I 53 0B 22 -3,-0.5 2,-0.5 35,-0.2 35,-0.2 -0.665 72.3-146.9 -92.6 146.1 6.2 119.6 76.2 19 19 A I E -I 52 0B 57 33,-2.4 33,-3.1 -2,-0.3 2,-0.3 -0.977 15.6-146.6-112.8 122.0 5.2 118.2 79.6 20 20 A L E -I 51 0B 71 -2,-0.5 2,-0.3 31,-0.2 31,-0.2 -0.663 15.0-172.6 -93.6 139.3 7.3 115.3 80.9 21 21 A Q E > -I 50 0B 33 29,-2.4 3,-2.1 -2,-0.3 29,-1.7 -0.944 48.6 -23.0-129.4 152.6 6.1 112.4 83.0 22 22 A G E 3 S-I 49 0B 57 -2,-0.3 27,-0.3 1,-0.3 13,-0.1 -0.216 127.6 -13.2 56.5-140.4 7.7 109.6 84.8 23 23 A D T 3 S+ 0 0 66 25,-1.4 -1,-0.3 11,-0.1 26,-0.3 0.438 103.1 127.1 -67.7 -8.8 11.1 108.6 83.5 24 24 A A < + 0 0 7 -3,-2.1 2,-0.3 24,-0.2 10,-0.2 -0.341 30.8 152.8 -59.4 131.8 10.5 110.7 80.4 25 25 A I E -B 33 0A 70 8,-2.3 8,-2.7 10,-0.1 2,-0.5 -0.989 41.4-118.5-158.0 157.0 13.2 113.2 79.6 26 26 A V E -B 32 0A 22 -2,-0.3 6,-0.2 6,-0.2 -12,-0.1 -0.858 29.7-141.9-104.6 126.1 14.9 115.2 76.8 27 27 A T - 0 0 19 4,-2.2 3,-0.3 -2,-0.5 -16,-0.1 -0.249 22.3-117.0 -77.3 168.4 18.6 114.7 76.0 28 28 A S S S+ 0 0 113 1,-0.2 -1,-0.1 2,-0.1 -17,-0.0 0.979 116.4 62.4 -63.8 -51.8 21.2 117.2 75.0 29 29 A S S S- 0 0 85 1,-0.1 -1,-0.2 -17,-0.1 -18,-0.0 0.724 123.7-107.1 -43.3 -30.1 21.5 115.3 71.7 30 30 A G S S+ 0 0 8 -3,-0.3 -19,-2.3 1,-0.3 2,-0.3 0.474 72.4 136.0 111.9 8.1 17.9 116.2 71.2 31 31 A K - 0 0 73 -21,-0.1 -4,-2.2 1,-0.0 2,-1.0 -0.616 55.1-130.3 -86.5 143.5 16.0 112.9 71.7 32 32 A L E -BC 26 221A 3 189,-2.8 189,-3.4 -2,-0.3 2,-0.7 -0.814 31.9-162.1 -87.6 107.4 12.8 112.4 73.6 33 33 A Q E -BC 25 220A 37 -8,-2.7 -8,-2.3 -2,-1.0 187,-0.2 -0.865 14.0-177.5-100.6 113.0 13.9 109.5 75.7 34 34 A L + 0 0 0 185,-1.9 2,-0.3 -2,-0.7 174,-0.2 0.851 59.2 41.6 -81.0 -38.9 11.1 107.7 77.2 35 35 A N S S- 0 0 0 184,-0.3 2,-0.3 13,-0.1 -10,-0.1 -0.754 86.8 -96.5-115.1 158.9 12.5 105.1 79.3 36 36 A K - 0 0 37 8,-0.3 8,-2.4 -2,-0.3 2,-0.3 -0.564 41.6-169.8 -78.4 136.9 15.5 104.9 81.7 37 37 A V B -P 43 0C 49 -2,-0.3 5,-0.1 6,-0.2 -1,-0.0 -0.959 20.9-111.2-133.2 147.2 18.8 103.5 80.5 38 38 A D > - 0 0 45 4,-3.9 3,-4.3 -2,-0.3 6,-0.0 -0.211 34.2-112.0 -66.6 152.7 22.3 102.4 81.8 39 39 A E T 3 S+ 0 0 121 1,-0.3 -1,-0.1 2,-0.2 -2,-0.0 0.858 125.2 63.6 -53.1 -28.8 25.4 104.3 81.2 40 40 A N T 3 S- 0 0 97 1,-0.1 -1,-0.3 2,-0.1 -2,-0.1 0.559 127.1-109.1 -70.3 -6.7 26.2 101.2 79.1 41 41 A G S < S+ 0 0 30 -3,-4.3 -2,-0.2 1,-0.3 177,-0.1 0.257 74.0 143.4 94.5 -4.3 23.2 102.4 77.1 42 42 A T - 0 0 53 -5,-0.1 -4,-3.9 1,-0.1 -1,-0.3 -0.287 52.1-115.9 -68.8 144.8 21.0 99.5 78.4 43 43 A P B -P 37 0C 1 0, 0.0 -6,-0.2 0, 0.0 173,-0.1 -0.497 24.8-134.0 -79.4 151.6 17.4 99.8 79.3 44 44 A K > - 0 0 41 -8,-2.4 3,-0.9 -2,-0.2 -8,-0.3 -0.911 23.0-114.3-111.3 123.6 16.3 99.3 82.9 45 45 A P T 3 S+ 0 0 66 0, 0.0 167,-0.2 0, 0.0 166,-0.1 0.157 94.9 27.7 -46.1 162.8 13.3 97.1 83.7 46 46 A S T 3 S+ 0 0 51 165,-5.1 166,-0.1 168,-0.4 2,-0.1 0.605 88.5 146.0 47.3 25.2 10.1 98.4 85.2 47 47 A S < + 0 0 4 -3,-0.9 163,-1.1 164,-0.4 58,-0.5 -0.407 22.4 176.4 -81.1 152.5 10.8 101.8 83.5 48 48 A L E + J 0 209B 24 161,-0.2 -25,-1.4 -2,-0.1 2,-0.3 -0.653 5.8 175.3-169.7 113.5 8.0 104.0 82.2 49 49 A G E -IJ 22 208B 0 159,-1.3 159,-2.3 -27,-0.3 2,-0.3 -0.827 4.9-172.6-114.9 149.1 7.9 107.6 80.7 50 50 A R E -IJ 21 207B 2 -29,-1.7 -29,-2.4 -2,-0.3 2,-0.3 -0.882 5.4-161.5-132.6 163.4 5.1 109.7 79.2 51 51 A A E -IJ 20 206B 2 155,-2.1 155,-1.8 -2,-0.3 2,-0.3 -0.908 6.2-169.1-158.8 122.2 5.2 113.0 77.3 52 52 A L E -IJ 19 205B 2 -33,-3.1 -33,-2.4 -2,-0.3 2,-0.6 -0.683 23.7-123.6-115.9 163.1 2.5 115.6 76.6 53 53 A Y E -I 18 0B 29 151,-1.6 151,-0.4 -2,-0.3 -35,-0.2 -0.929 24.5-140.0-107.1 119.5 2.0 118.6 74.6 54 54 A S S S+ 0 0 32 -37,-4.0 -1,-0.2 -2,-0.6 -36,-0.1 0.933 78.5 73.9 -45.9 -71.4 1.0 121.6 76.6 55 55 A T S S- 0 0 47 -38,-0.2 2,-0.1 1,-0.1 -2,-0.1 -0.253 84.0-127.6 -52.0 140.9 -1.7 123.3 74.6 56 56 A P - 0 0 49 0, 0.0 2,-0.5 0, 0.0 147,-0.2 -0.428 17.0-125.6 -86.7 159.6 -4.9 121.4 74.7 57 57 A I E -K 202 0B 5 145,-3.7 145,-2.8 -2,-0.1 2,-1.1 -0.960 1.6-141.9-119.4 123.4 -6.8 120.3 71.7 58 58 A H E +K 201 0B 18 -2,-0.5 143,-0.3 143,-0.2 142,-0.1 -0.739 29.7 170.2 -80.9 99.5 -10.3 121.0 71.0 59 59 A I - 0 0 1 141,-2.1 9,-3.4 -2,-1.1 2,-0.3 0.706 61.0 -0.6 -86.6 -29.0 -11.1 117.7 69.4 60 60 A W B -Q 67 0D 42 140,-1.8 2,-0.5 7,-0.2 -1,-0.3 -0.985 63.5-131.0-162.1 156.0 -14.9 118.1 69.2 61 61 A D > - 0 0 42 5,-2.4 4,-1.2 -2,-0.3 134,-0.0 -0.985 2.9-157.9-124.1 128.4 -17.5 120.5 70.1 62 62 A K T 4 S+ 0 0 56 -2,-0.5 -1,-0.1 2,-0.2 3,-0.1 0.892 91.4 48.6 -69.2 -47.5 -20.7 119.8 71.9 63 63 A E T 4 S+ 0 0 101 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 0.956 123.6 32.0 -58.7 -49.1 -22.9 122.7 70.9 64 64 A T T 4 S- 0 0 59 2,-0.1 -1,-0.2 1,-0.1 -2,-0.2 0.468 93.9-132.0 -92.1 -3.0 -22.1 122.3 67.2 65 65 A G < + 0 0 53 -4,-1.2 -3,-0.1 1,-0.2 130,-0.1 0.226 55.1 152.5 74.7 -20.0 -21.6 118.5 66.9 66 66 A S - 0 0 14 -6,-0.1 -5,-2.4 1,-0.1 2,-0.4 -0.034 30.1-158.0 -48.5 141.3 -18.4 119.3 64.9 67 67 A V B -Q 60 0D 30 -7,-0.2 -7,-0.2 165,-0.1 101,-0.1 -0.981 14.0-123.2-125.9 131.8 -15.5 116.7 65.0 68 68 A A - 0 0 0 -9,-3.4 2,-0.3 -2,-0.4 162,-0.2 -0.304 11.8-148.7 -75.4 168.0 -11.9 117.4 64.4 69 69 A S E +D 229 0A 37 160,-1.7 160,-2.1 98,-0.1 2,-0.4 -0.874 27.5 167.9-122.3 150.5 -9.6 115.9 61.9 70 70 A F E -DE 228 166A 16 96,-2.0 96,-2.4 -2,-0.3 2,-0.3 -0.999 23.7-156.6-163.5 166.1 -6.1 115.5 62.6 71 71 A A E -DE 227 165A 33 156,-2.5 156,-2.2 -2,-0.4 2,-0.3 -0.991 7.6-174.2-154.3 146.0 -2.8 114.1 61.7 72 72 A A E -DE 226 164A 2 92,-2.1 92,-2.2 -2,-0.3 2,-0.4 -0.997 1.3-171.3-142.3 141.6 0.5 113.3 63.4 73 73 A S E +DE 225 163A 37 152,-2.4 152,-2.4 -2,-0.3 2,-0.3 -0.986 6.6 173.4-135.1 151.8 3.9 112.1 62.5 74 74 A F E - E 0 162A 0 88,-1.2 88,-2.8 -2,-0.4 2,-0.5 -0.991 28.0-136.7-156.5 147.8 7.1 111.0 64.3 75 75 A N E + E 0 161A 43 148,-0.4 147,-3.1 -2,-0.3 148,-1.0 -0.935 42.0 166.2 -93.8 120.0 10.6 109.5 63.8 76 76 A F E -FE 221 160A 0 84,-2.3 84,-2.6 -2,-0.5 2,-0.3 -0.998 19.3-179.4-146.9 150.1 11.2 106.8 66.4 77 77 A T E -F 220 0A 15 143,-1.7 143,-1.4 -2,-0.3 2,-0.3 -0.822 11.7-149.8-127.2 175.0 13.5 104.0 67.4 78 78 A F E -F 219 0A 4 80,-0.3 79,-2.1 77,-0.3 2,-0.5 -0.980 8.9-142.7-146.7 147.1 14.0 101.5 70.0 79 79 A Y E -F 218 0A 77 139,-0.8 139,-2.9 -2,-0.3 77,-0.0 -0.961 15.4-175.0-116.6 121.4 17.0 99.8 71.4 80 80 A A - 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