==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING PROTEIN 07-APR-06 2GMM . COMPND 2 MOLECULE: LECTIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PTEROCARPUS ANGOLENSIS; . AUTHOR A.GARCIA-PINO,L.BUTS,L.WYNS,R.LORIS . 457 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17982.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 304 66.5 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 . 212 46.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 36 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 7 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 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 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 6 2 0 5 8 6 2 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 1 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 X 0 0 8 0, 0.0 56,-0.4 0, 0.0 236,-0.3 0.000 360.0 360.0 360.0 142.4 20.2 -6.7 -25.0 2 2 A D + 0 0 19 234,-1.8 224,-1.9 1,-0.1 2,-0.4 0.787 360.0 38.4 -73.6 -27.0 17.6 -9.5 -24.7 3 3 A S E +AB 225 236A 37 233,-1.3 233,-2.0 222,-0.2 2,-0.3 -0.969 65.7 169.9-128.8 141.9 18.7 -10.0 -21.1 4 4 A L E +AB 224 235A 7 220,-2.5 220,-2.2 -2,-0.4 2,-0.3 -0.991 2.2 166.9-150.3 139.6 19.6 -7.5 -18.4 5 5 A S E +AB 223 234A 28 229,-2.4 229,-2.7 -2,-0.3 2,-0.3 -0.992 3.0 171.8-153.7 151.6 20.2 -7.8 -14.7 6 6 A F E -AB 222 233A 6 216,-2.3 216,-2.7 -2,-0.3 2,-0.4 -0.985 14.5-149.3-158.2 152.6 21.6 -5.7 -11.9 7 7 A G E -AB 221 232A 8 225,-2.1 224,-1.8 -2,-0.3 225,-1.4 -0.989 9.7-173.2-136.7 132.0 21.9 -5.9 -8.1 8 8 A F E +A 220 0A 3 212,-3.1 212,-2.1 -2,-0.4 3,-0.1 -0.879 5.2 176.5-117.4 93.7 22.0 -3.2 -5.4 9 9 A P S S- 0 0 77 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.875 82.5 -11.2 -63.1 -33.2 22.7 -4.9 -2.0 10 10 A T S S- 0 0 59 -3,-0.1 20,-0.2 210,-0.1 221,-0.1 -0.863 74.4-112.8-149.9 177.7 22.8 -1.4 -0.7 11 11 A F - 0 0 0 18,-2.5 16,-0.2 -2,-0.3 18,-0.1 -0.718 31.4-167.8-124.5 79.4 22.9 2.1 -2.2 12 12 A P - 0 0 17 0, 0.0 3,-0.4 0, 0.0 14,-0.0 -0.271 35.9-109.1 -63.0 156.2 26.3 3.8 -1.4 13 13 A S S S+ 0 0 99 1,-0.2 2,-0.6 13,-0.0 13,-0.1 0.658 104.3 85.3 -61.5 -16.9 26.4 7.6 -2.2 14 14 A D + 0 0 66 2,-0.0 -1,-0.2 0, 0.0 -3,-0.0 -0.004 65.8 163.3 -79.6 34.3 28.7 7.0 -5.2 15 15 A Q + 0 0 28 -2,-0.6 -2,-0.0 -3,-0.4 -4,-0.0 -0.159 18.4 160.1 -59.9 143.2 25.8 6.3 -7.6 16 16 A K + 0 0 91 268,-0.1 -1,-0.1 3,-0.0 269,-0.0 0.581 69.7 49.2-130.8 -32.7 26.2 6.4 -11.4 17 17 A N S S+ 0 0 2 267,-0.1 36,-2.7 266,-0.1 2,-0.5 0.104 86.1 96.2-105.2 24.5 23.3 4.5 -13.0 18 18 A L E -R 52 0B 15 34,-0.2 2,-0.9 35,-0.1 34,-0.2 -0.940 61.8-145.2-116.1 132.9 20.3 6.0 -11.2 19 19 A I E -R 51 0B 56 32,-3.0 32,-0.9 -2,-0.5 2,-0.4 -0.856 21.9-154.6 -95.1 107.7 18.2 8.8 -12.6 20 20 A F E -R 50 0B 79 -2,-0.9 2,-0.3 30,-0.2 30,-0.2 -0.676 14.7-177.9 -84.1 134.5 17.1 10.8 -9.5 21 21 A Q E > -R 49 0B 28 28,-2.4 28,-1.8 -2,-0.4 3,-1.5 -0.970 50.5 -12.9-132.8 148.6 13.9 12.8 -9.8 22 22 A G E 3 S-R 48 0B 58 -2,-0.3 26,-0.3 1,-0.2 12,-0.1 -0.403 126.9 -22.6 64.9-134.8 12.2 15.2 -7.4 23 23 A D T 3 S+ 0 0 59 24,-3.1 -1,-0.2 10,-0.2 25,-0.2 0.431 96.3 132.4 -91.1 0.8 13.6 14.9 -3.9 24 24 A A < + 0 0 9 -3,-1.5 2,-0.3 23,-0.2 9,-0.2 -0.247 25.8 144.6 -57.4 135.3 15.1 11.5 -4.2 25 25 A Q E -C 32 0A 92 7,-1.4 7,-3.0 9,-0.1 2,-0.3 -0.973 49.1 -92.4-165.3 161.7 18.7 11.1 -3.0 26 26 A I E +C 31 0A 23 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.624 44.7 160.4 -84.9 139.1 21.0 8.7 -1.3 27 27 A K E > +C 30 0A 52 3,-2.8 3,-0.6 -2,-0.3 -16,-0.1 -0.899 64.9 1.9-161.1 127.1 21.4 8.8 2.5 28 28 A N T 3 S- 0 0 133 -2,-0.3 -17,-0.1 1,-0.2 3,-0.1 0.885 127.5 -60.4 61.8 41.6 22.8 6.2 4.9 29 29 A N T 3 S+ 0 0 96 1,-0.2 -18,-2.5 -18,-0.1 2,-0.3 0.762 121.9 92.7 57.4 29.9 23.5 3.8 2.1 30 30 A A E < S-C 27 0A 9 -3,-0.6 -3,-2.8 -20,-0.2 2,-0.7 -0.959 84.0-103.3-144.6 158.6 19.9 3.8 1.1 31 31 A V E -CD 26 217A 0 186,-2.6 186,-2.6 -2,-0.3 2,-1.1 -0.786 26.1-158.6 -88.8 117.8 17.7 5.7 -1.4 32 32 A Q E -CD 25 216A 14 -7,-3.0 -7,-1.4 -2,-0.7 184,-0.2 -0.822 9.7-175.2 -94.8 95.9 15.6 8.2 0.5 33 33 A L + 0 0 0 182,-2.3 2,-0.3 -2,-1.1 -10,-0.2 0.895 67.6 47.9 -59.9 -42.6 12.8 8.7 -2.0 34 34 A T S S- 0 0 1 181,-0.4 181,-0.3 -3,-0.1 -9,-0.1 -0.771 99.9 -91.3-104.5 149.6 11.2 11.5 -0.0 35 35 A K - 0 0 56 -2,-0.3 8,-1.5 173,-0.1 2,-0.3 -0.146 39.0-174.0 -58.8 144.3 12.8 14.5 1.6 36 36 A T B -X 42 0C 11 6,-0.2 -4,-0.0 -4,-0.1 -1,-0.0 -0.979 20.3-120.7-137.8 147.0 14.1 14.4 5.2 37 37 A D > - 0 0 61 4,-2.5 3,-1.4 -2,-0.3 -1,-0.1 0.093 47.9 -75.1 -74.9-166.8 15.6 17.2 7.3 38 38 A S T 3 S+ 0 0 127 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.697 133.2 51.1 -65.0 -21.6 19.0 17.5 8.9 39 39 A N T 3 S- 0 0 135 2,-0.1 -1,-0.3 3,-0.0 -2,-0.0 0.415 120.2-107.4 -96.3 0.3 18.0 15.0 11.6 40 40 A G S < S+ 0 0 34 -3,-1.4 -2,-0.1 1,-0.3 174,-0.1 0.669 71.9 144.3 82.7 17.4 16.8 12.5 9.1 41 41 A N - 0 0 77 1,-0.1 -4,-2.5 172,-0.0 -1,-0.3 -0.715 53.7-108.3 -92.7 140.0 13.1 13.1 9.9 42 42 A P B -X 36 0C 11 0, 0.0 2,-0.3 0, 0.0 -6,-0.2 -0.298 33.1-154.6 -64.0 147.4 10.5 13.0 7.1 43 43 A V - 0 0 40 -8,-1.5 170,-0.3 170,-0.2 3,-0.2 -0.834 18.3-102.5-121.5 161.5 8.9 16.3 6.0 44 44 A A S S+ 0 0 38 -2,-0.3 166,-0.2 1,-0.2 165,-0.2 -0.248 91.1 28.6 -78.2 168.9 5.5 17.1 4.4 45 45 A S S S+ 0 0 86 164,-2.9 2,-0.3 166,-0.2 164,-0.2 0.925 82.7 136.6 44.8 69.0 4.9 17.9 0.7 46 46 A T E - S 0 208B 3 162,-2.2 162,-2.4 -3,-0.2 2,-0.3 -0.999 29.1-176.6-144.6 141.9 7.7 15.9 -1.0 47 47 A V E + S 0 207B 24 -2,-0.3 -24,-3.1 160,-0.2 2,-0.3 -0.992 10.6 162.7-137.9 143.2 7.9 13.6 -4.0 48 48 A G E +RS 22 206B 0 158,-2.2 158,-1.8 -2,-0.3 2,-0.3 -0.979 7.0 175.5-161.0 148.6 10.8 11.6 -5.4 49 49 A R E -RS 21 205B 2 -28,-1.8 -28,-2.4 -2,-0.3 2,-0.3 -0.940 12.4-152.8-147.7 166.0 11.6 8.7 -7.7 50 50 A I E -RS 20 204B 0 154,-2.3 154,-1.5 -2,-0.3 2,-0.3 -0.968 6.2-168.6-139.6 154.9 14.5 6.8 -9.3 51 51 A L E -RS 19 203B 2 -32,-0.9 -32,-3.0 -2,-0.3 2,-0.3 -0.984 31.2-112.6-140.7 143.4 14.9 4.9 -12.5 52 52 A F E -R 18 0B 0 150,-2.7 150,-0.3 -2,-0.3 -34,-0.2 -0.631 28.1-132.7 -76.1 141.0 17.7 2.6 -13.5 53 53 A S S S+ 0 0 23 -36,-2.7 2,-0.3 -2,-0.3 -1,-0.1 0.867 84.4 79.6 -63.9 -40.0 19.5 4.3 -16.4 54 54 A A S S- 0 0 0 -37,-0.3 148,-0.3 1,-0.1 2,-0.1 -0.544 83.5-127.6 -72.7 132.3 19.7 1.2 -18.7 55 55 A Q - 0 0 22 -2,-0.3 2,-0.4 146,-0.1 146,-0.2 -0.484 15.6-130.4 -80.2 152.2 16.4 0.6 -20.5 56 56 A V E -Y 200 0D 4 144,-3.4 144,-2.6 -2,-0.1 2,-1.3 -0.863 7.1-136.8-105.3 133.2 14.7 -2.8 -20.4 57 57 A H E +Y 199 0D 12 -2,-0.4 142,-0.2 -56,-0.4 3,-0.1 -0.757 29.5 175.6 -90.6 94.2 13.5 -4.5 -23.6 58 58 A L - 0 0 2 140,-1.7 9,-3.4 -2,-1.3 2,-0.3 0.835 61.3 -9.3 -69.8 -38.9 10.1 -5.6 -22.2 59 59 A W E -E 66 0A 32 139,-1.3 2,-0.4 7,-0.3 7,-0.3 -0.982 55.8-145.9-157.5 160.9 8.8 -7.1 -25.5 60 60 A E E >> -E 65 0A 16 5,-3.1 5,-2.1 -2,-0.3 4,-0.7 -0.940 0.7-163.7-138.6 112.3 9.6 -7.3 -29.2 61 61 A K T >45S+ 0 0 151 -2,-0.4 3,-0.9 3,-0.2 -1,-0.1 0.929 87.9 57.1 -58.6 -51.0 6.9 -7.3 -31.8 62 62 A S T 345S+ 0 0 107 1,-0.3 -1,-0.2 2,-0.1 -2,-0.0 0.869 117.8 32.3 -50.8 -46.0 9.1 -8.5 -34.7 63 63 A S T 345S- 0 0 24 2,-0.1 -1,-0.3 -3,-0.1 -2,-0.2 0.462 105.5-126.3 -92.2 -2.5 10.2 -11.7 -32.9 64 64 A S T <<5 + 0 0 89 -3,-0.9 2,-0.3 -4,-0.7 -3,-0.2 0.899 60.7 146.3 59.4 40.4 6.9 -12.0 -31.1 65 65 A R E < -E 60 0A 23 -5,-2.1 -5,-3.1 161,-0.0 2,-0.4 -0.851 33.3-168.1-114.0 148.3 8.7 -12.2 -27.7 66 66 A V E -EF 59 227A 26 161,-1.9 161,-2.0 -2,-0.3 -7,-0.3 -0.985 26.9-111.5-131.5 142.8 7.8 -10.9 -24.3 67 67 A A E - F 0 226A 0 -9,-3.4 2,-0.5 -2,-0.4 159,-0.3 -0.436 10.6-147.6 -80.3 145.9 10.1 -10.6 -21.3 68 68 A N E + F 0 225A 53 157,-2.5 157,-1.9 -2,-0.2 2,-0.3 -0.937 35.0 174.9-103.4 125.2 10.0 -12.7 -18.1 69 69 A F E -GF 165 224A 3 96,-1.3 96,-2.6 -2,-0.5 2,-0.3 -0.952 23.7-161.7-138.2 159.7 11.3 -10.4 -15.3 70 70 A Q E -GF 164 223A 85 153,-2.4 153,-2.1 -2,-0.3 2,-0.4 -0.996 1.5-169.9-138.4 142.7 11.7 -10.3 -11.6 71 71 A S E -GF 163 222A 0 92,-2.8 92,-3.1 -2,-0.3 2,-0.4 -0.971 6.9-177.4-137.2 116.9 12.2 -7.3 -9.2 72 72 A Q E +GF 162 221A 86 149,-2.4 149,-2.8 -2,-0.4 2,-0.3 -0.956 16.6 151.4-116.6 134.1 13.2 -7.9 -5.6 73 73 A F E -GF 161 220A 2 88,-2.4 88,-3.5 -2,-0.4 2,-0.4 -0.986 30.6-141.8-158.1 164.5 13.5 -5.1 -3.1 74 74 A S E +GF 160 219A 16 145,-1.7 144,-2.6 -2,-0.3 145,-1.1 -0.984 21.9 165.3-133.3 142.8 13.3 -4.0 0.5 75 75 A F E -GF 159 217A 3 84,-1.2 84,-2.9 -2,-0.4 2,-0.3 -0.974 16.9-156.0-150.9 161.7 12.0 -0.8 2.1 76 76 A S E - 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