==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING PROTEIN 03-NOV-99 1DBN . COMPND 2 MOLECULE: PROTEIN (LEUKOAGGLUTININ); . SOURCE 2 ORGANISM_SCIENTIFIC: MAACKIA AMURENSIS; . AUTHOR A.IMBERTY,C.GAUTIER,J.LESCAR,R.LORIS . 478 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18681.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 312 65.3 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 . 194 40.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 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 . 48 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 8.4 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 . 4 0.8 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 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 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 8 0 2 4 6 4 4 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 . 4 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 1 A S 0 0 67 0, 0.0 56,-0.2 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 137.1 49.0 -0.2 33.7 2 2 A D + 0 0 110 1,-0.4 237,-3.2 237,-0.1 2,-0.3 0.536 360.0 20.6-101.9 -12.3 50.5 0.9 30.3 3 3 A E E +A 238 0A 119 235,-0.2 -1,-0.4 236,-0.1 2,-0.4 -0.926 68.8 179.1-156.3 127.3 47.0 1.4 28.8 4 4 A L E +A 237 0A 25 233,-2.1 233,-2.5 -2,-0.3 2,-0.3 -1.000 5.7 168.5-134.0 134.9 43.8 1.9 30.6 5 5 A S E +A 236 0A 64 -2,-0.4 2,-0.3 231,-0.2 231,-0.2 -0.965 0.2 165.4-150.3 128.8 40.4 2.5 29.1 6 6 A F E -A 235 0A 16 229,-2.4 229,-2.6 -2,-0.3 2,-0.4 -1.000 15.1-163.7-146.2 145.0 36.9 2.5 30.5 7 7 A T E -A 234 0A 87 -2,-0.3 2,-0.6 227,-0.2 227,-0.2 -0.994 0.8-171.0-128.9 125.9 33.5 3.6 29.3 8 8 A I E +A 233 0A 10 225,-3.2 225,-1.4 -2,-0.4 3,-0.2 -0.904 10.5 170.7-118.0 99.5 30.5 4.1 31.7 9 9 A N S S+ 0 0 121 -2,-0.6 2,-0.4 1,-0.3 -1,-0.1 0.806 75.4 19.9 -77.7 -30.0 27.4 4.7 29.6 10 10 A N S S- 0 0 111 223,-0.1 -1,-0.3 222,-0.0 2,-0.1 -0.970 77.2-136.5-144.4 124.7 25.1 4.4 32.6 11 11 A F - 0 0 4 19,-1.3 -3,-0.0 -2,-0.4 3,-0.0 -0.448 18.4-149.8 -77.6 154.4 26.0 4.8 36.3 12 12 A V > - 0 0 70 -2,-0.1 3,-2.2 17,-0.0 14,-0.1 -0.922 32.3 -84.7-125.1 148.5 24.5 2.3 38.8 13 13 A P T 3 S- 0 0 67 0, 0.0 3,-0.2 0, 0.0 14,-0.1 -0.281 115.5 -0.7 -55.0 130.9 23.7 2.9 42.5 14 14 A N T 3 S- 0 0 141 12,-0.4 4,-0.2 1,-0.2 6,-0.1 0.735 93.2-151.6 58.0 25.6 26.8 2.4 44.6 15 15 A E X - 0 0 20 -3,-2.2 3,-1.5 1,-0.1 -1,-0.2 0.064 5.1-140.4 -31.6 112.3 28.7 1.6 41.4 16 16 A A T 3 S+ 0 0 100 1,-0.3 -1,-0.1 -3,-0.2 -2,-0.0 0.753 95.6 56.9 -53.5 -34.3 31.5 -0.8 42.5 17 17 A D T 3 S+ 0 0 54 35,-0.1 36,-2.3 36,-0.1 2,-0.4 0.079 95.9 83.2 -90.4 27.9 34.2 0.7 40.2 18 18 A L E < -H 52 0B 8 -3,-1.5 2,-0.7 34,-0.3 34,-0.2 -0.995 66.6-147.6-132.3 132.7 33.8 4.2 41.7 19 19 A L E -H 51 0B 73 32,-3.6 32,-2.0 -2,-0.4 2,-0.4 -0.896 21.4-155.0 -99.9 116.3 35.3 5.6 44.9 20 20 A F E -H 50 0B 62 -2,-0.7 2,-0.4 30,-0.2 30,-0.2 -0.739 12.9-176.9 -95.8 139.1 32.9 8.1 46.5 21 21 A Q E > -H 49 0B 25 28,-2.9 28,-2.6 -2,-0.4 3,-1.1 -0.992 55.4 -11.8-132.5 139.9 34.0 10.9 48.8 22 22 A G E 3 S-H 48 0B 64 -2,-0.4 26,-0.3 26,-0.2 13,-0.1 -0.506 124.3 -24.7 76.1-138.4 31.7 13.4 50.6 23 23 A E T 3 S+ 0 0 74 24,-2.4 -1,-0.2 -2,-0.2 25,-0.2 0.255 99.0 127.5 -96.5 12.5 28.1 13.5 49.6 24 24 A A < + 0 0 9 -3,-1.1 2,-0.3 23,-0.3 10,-0.2 -0.299 25.5 135.6 -68.6 153.8 28.6 12.2 46.1 25 25 A S E -B 33 0A 48 8,-1.6 8,-2.9 10,-0.1 2,-0.5 -0.952 51.5-100.3 178.5 170.2 26.6 9.2 44.9 26 26 A V E -B 32 0A 11 -2,-0.3 -12,-0.4 6,-0.3 6,-0.2 -0.953 38.1-127.2-114.2 130.5 24.7 7.9 41.9 27 27 A S > - 0 0 17 4,-2.5 3,-2.3 -2,-0.5 -1,-0.0 -0.175 27.3-104.3 -69.3 165.8 20.9 8.1 42.0 28 28 A S T 3 S+ 0 0 119 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.682 123.2 62.2 -64.5 -15.8 18.5 5.3 41.4 29 29 A T T 3 S- 0 0 108 2,-0.1 -1,-0.3 -17,-0.1 -18,-0.1 0.413 122.0-106.3 -90.6 1.0 18.0 6.8 38.0 30 30 A G S < S+ 0 0 16 -3,-2.3 -19,-1.3 1,-0.3 2,-0.4 0.691 73.5 132.3 86.8 18.5 21.7 6.3 37.1 31 31 A V - 0 0 22 -21,-0.1 -4,-2.5 2,-0.0 2,-1.0 -0.868 58.2-125.8-106.5 139.2 23.1 9.8 37.4 32 32 A L E -BC 26 230A 0 198,-2.6 198,-2.4 -2,-0.4 2,-1.0 -0.714 26.8-162.0 -81.0 105.1 26.3 10.5 39.2 33 33 A Q E -BC 25 229A 30 -8,-2.9 -8,-1.6 -2,-1.0 196,-0.2 -0.805 11.8-176.7 -95.0 102.0 25.2 13.2 41.6 34 34 A L S S+ 0 0 0 194,-2.0 2,-0.3 -2,-1.0 -1,-0.2 0.945 74.5 38.5 -61.7 -51.1 28.4 14.9 42.8 35 35 A T S S- 0 0 0 193,-0.2 193,-0.3 -3,-0.1 -10,-0.1 -0.746 105.3 -89.3-101.4 153.1 26.5 17.2 45.2 36 36 A K - 0 0 79 -2,-0.3 7,-3.1 7,-0.1 2,-0.4 -0.317 41.1-176.5 -65.8 134.1 23.5 16.1 47.2 37 37 A V E -N 42 0C 22 5,-0.3 2,-0.4 -4,-0.1 -4,-0.0 -0.983 5.2-167.7-129.0 141.3 20.0 16.4 45.8 38 38 A E E > S-N 41 0C 86 3,-2.3 3,-1.3 -2,-0.4 -2,-0.0 -0.986 77.1 -7.9-133.4 121.5 16.8 15.6 47.6 39 39 A N T 3 S- 0 0 164 -2,-0.4 -1,-0.1 1,-0.3 0, 0.0 0.733 131.6 -56.9 66.7 21.0 13.5 15.3 45.8 40 40 A G T 3 S+ 0 0 56 1,-0.3 -1,-0.3 0, 0.0 -3,-0.0 0.535 114.2 119.0 86.9 7.8 15.2 16.6 42.7 41 41 A Q E < -N 38 0C 107 -3,-1.3 -3,-2.3 185,-0.0 -1,-0.3 -0.918 66.2-122.8-110.2 123.7 16.4 19.8 44.5 42 42 A P E -N 37 0C 10 0, 0.0 2,-0.3 0, 0.0 -5,-0.3 -0.417 29.6-133.0 -66.3 136.6 20.1 20.6 44.9 43 43 A Q - 0 0 52 -7,-3.1 3,-0.5 -2,-0.1 183,-0.2 -0.666 18.7-104.5 -95.3 147.8 21.1 21.0 48.6 44 44 A K S S+ 0 0 120 -2,-0.3 177,-0.2 1,-0.2 176,-0.1 -0.225 92.2 10.0 -67.0 152.1 23.3 23.8 50.1 45 45 A Y S S+ 0 0 127 175,-1.8 2,-0.4 1,-0.2 -1,-0.2 0.878 84.2 155.7 44.0 55.0 26.9 23.5 51.1 46 46 A S - 0 0 0 -3,-0.5 173,-2.9 -10,-0.1 2,-0.4 -0.877 22.0-172.6-110.3 139.4 27.4 20.0 49.6 47 47 A V E + I 0 218B 25 -2,-0.4 -24,-2.4 171,-0.2 2,-0.3 -0.996 11.6 168.5-133.4 128.9 30.8 18.7 48.6 48 48 A G E -HI 22 217B 0 169,-2.5 169,-2.1 -2,-0.4 2,-0.3 -0.984 15.3-173.1-143.5 155.1 31.4 15.5 46.7 49 49 A R E -HI 21 216B 2 -28,-2.6 -28,-2.9 -2,-0.3 2,-0.4 -0.991 2.1-170.7-148.5 134.4 34.0 13.6 44.8 50 50 A A E -HI 20 215B 0 165,-2.0 165,-2.4 -2,-0.3 2,-0.4 -0.990 9.0-174.9-126.5 135.4 34.0 10.4 42.7 51 51 A L E -HI 19 214B 4 -32,-2.0 -32,-3.6 -2,-0.4 163,-0.2 -0.976 34.3-105.4-132.0 144.8 37.0 8.5 41.4 52 52 A Y E -H 18 0B 39 161,-2.5 161,-0.3 -2,-0.4 -34,-0.3 -0.486 37.8-123.1 -65.0 134.2 37.5 5.5 39.1 53 53 A A S S+ 0 0 34 -36,-2.3 -1,-0.1 -2,-0.2 -35,-0.1 0.814 89.5 73.6 -50.7 -38.3 38.5 2.6 41.4 54 54 A A S S- 0 0 38 -37,-0.3 159,-0.3 1,-0.0 -2,-0.1 -0.677 81.8-126.3 -90.0 127.9 41.8 1.9 39.6 55 55 A P - 0 0 48 0, 0.0 2,-0.4 0, 0.0 157,-0.3 -0.345 27.0-132.3 -63.1 148.5 44.8 4.1 40.0 56 56 A V E -O 211 0D 1 155,-4.1 155,-1.6 -54,-0.0 2,-0.7 -0.893 6.8-128.8-110.6 134.1 46.3 5.3 36.6 57 57 A R E +O 210 0D 28 -2,-0.4 153,-0.2 -56,-0.2 152,-0.1 -0.705 27.6 177.0 -80.6 115.7 50.0 5.1 35.6 58 58 A I - 0 0 0 151,-2.8 9,-3.7 -2,-0.7 2,-0.3 0.715 62.7 -5.5 -92.7 -27.6 50.9 8.6 34.3 59 59 A W B -P 66 0E 50 150,-0.8 2,-0.4 7,-0.3 -1,-0.3 -0.984 56.3-139.7-161.0 162.4 54.6 8.1 33.7 60 60 A G > - 0 0 1 5,-2.1 4,-3.4 -2,-0.3 5,-0.2 -0.981 3.1-166.1-132.9 121.1 57.4 5.6 34.1 61 61 A N T 4 S+ 0 0 118 -2,-0.4 -1,-0.1 2,-0.2 5,-0.0 0.845 97.4 53.6 -72.5 -32.1 60.9 6.5 35.2 62 62 A T T 4 S+ 0 0 121 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 0.844 121.0 33.3 -67.1 -33.1 62.1 3.1 34.1 63 63 A T T 4 S- 0 0 88 2,-0.2 -2,-0.2 1,-0.0 -1,-0.2 0.768 94.6-141.1 -92.4 -33.6 60.5 3.8 30.7 64 64 A G < + 0 0 40 -4,-3.4 -3,-0.1 1,-0.3 2,-0.1 0.188 61.2 120.5 89.0 -15.7 61.1 7.5 30.5 65 65 A S - 0 0 39 -5,-0.2 -5,-2.1 -6,-0.0 2,-0.3 -0.298 50.8-146.2 -83.5 164.2 57.6 8.0 28.9 66 66 A V B -P 59 0E 27 -7,-0.2 -7,-0.3 173,-0.2 2,-0.1 -0.951 24.8-104.7-128.7 147.7 54.6 9.9 29.9 67 67 A A - 0 0 0 -9,-3.7 2,-0.4 -2,-0.3 172,-0.2 -0.408 21.2-157.4 -76.3 144.2 50.9 9.1 29.5 68 68 A S E +D 238 0A 31 170,-1.6 170,-2.6 -2,-0.1 2,-0.3 -0.931 25.5 173.5-112.3 141.1 48.7 10.8 26.9 69 69 A F E -DE 237 175A 11 106,-1.1 106,-2.8 -2,-0.4 2,-0.3 -0.911 24.1-162.5-144.8 174.7 45.0 10.7 27.7 70 70 A S E -DE 236 174A 47 166,-2.0 166,-1.7 -2,-0.3 2,-0.4 -0.938 8.2-171.1-158.9 133.5 41.5 11.8 26.7 71 71 A T E -DE 235 173A 1 102,-2.9 102,-3.0 -2,-0.3 2,-0.3 -0.979 1.7-173.8-131.0 146.2 38.3 11.9 28.6 72 72 A S E +DE 234 172A 26 162,-2.1 162,-2.8 -2,-0.4 2,-0.3 -0.989 14.1 158.2-136.5 141.0 34.7 12.7 27.5 73 73 A F E -DE 233 171A 2 98,-2.2 98,-2.8 -2,-0.3 2,-0.4 -0.982 31.1-131.5-159.2 155.2 31.7 13.0 29.7 74 74 A T E +DE 232 170A 23 158,-1.0 157,-3.0 -2,-0.3 158,-1.0 -0.916 31.7 170.2-113.0 140.9 28.2 14.5 29.6 75 75 A F E -DE 230 169A 1 94,-1.8 94,-2.9 -2,-0.4 2,-0.4 -0.966 22.7-146.7-147.2 164.4 26.9 16.6 32.5 76 76 A V E -D 229 0A 20 153,-2.6 153,-2.2 -2,-0.3 2,-0.5 -0.999 2.4-167.1-135.9 136.1 24.1 18.9 33.6 77 77 A V + 0 0 2 90,-0.5 89,-1.8 87,-0.4 2,-0.6 -0.896 18.6 178.2-123.6 95.6 24.1 21.9 35.9 78 78 A K - 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