==== 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 07-APR-06 2GMP . COMPND 2 MOLECULE: LECTIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PTEROCARPUS ANGOLENSIS; . AUTHOR A.GARCIA-PINO,L.BUTS,L.WYNS,R.LORIS . 458 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17824.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 302 65.9 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 . 210 45.9 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 . 1 0.2 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 . 39 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 6 1.3 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+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 7 1 0 5 8 7 1 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 6 0, 0.0 56,-0.4 0, 0.0 237,-0.3 0.000 360.0 360.0 360.0 142.5 20.2 -6.5 -24.9 2 2 A D + 0 0 20 235,-1.9 225,-1.8 238,-0.1 2,-0.4 0.859 360.0 32.3 -69.5 -36.0 17.8 -9.4 -24.8 3 3 A S E +AB 226 237A 41 234,-1.2 234,-1.9 223,-0.3 2,-0.3 -0.941 67.3 172.1-126.0 147.6 18.6 -9.9 -21.1 4 4 A L E +AB 225 236A 8 221,-2.9 221,-2.7 -2,-0.4 2,-0.3 -0.985 2.5 164.1-153.1 139.2 19.6 -7.5 -18.4 5 5 A S E +AB 224 235A 27 230,-2.4 230,-2.8 -2,-0.3 2,-0.3 -0.986 2.8 170.6-154.6 153.7 20.1 -7.7 -14.6 6 6 A F E -AB 223 234A 4 217,-1.9 217,-2.8 -2,-0.3 2,-0.4 -0.961 15.2-149.3-158.3 158.2 21.7 -5.6 -11.9 7 7 A G E -AB 222 233A 6 226,-1.9 225,-2.2 -2,-0.3 226,-1.2 -0.992 10.9-170.1-143.4 134.3 21.8 -5.7 -8.2 8 8 A F E +A 221 0A 2 213,-3.5 213,-2.3 -2,-0.4 3,-0.1 -0.883 6.2 176.8-119.9 94.3 22.0 -3.1 -5.4 9 9 A P S S- 0 0 77 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.840 83.7 -5.9 -64.2 -28.4 22.6 -4.9 -2.1 10 10 A T S S- 0 0 58 -3,-0.1 20,-0.2 211,-0.1 211,-0.1 -0.889 73.7-116.6-149.9 177.5 22.8 -1.3 -0.9 11 11 A F - 0 0 0 18,-3.1 16,-0.1 -2,-0.3 18,-0.1 -0.689 29.8-168.5-126.5 77.9 22.8 2.2 -2.3 12 12 A P - 0 0 16 0, 0.0 3,-0.3 0, 0.0 14,-0.1 -0.244 36.9-107.8 -61.1 156.2 26.2 4.0 -1.6 13 13 A S S S+ 0 0 106 1,-0.2 2,-0.8 13,-0.1 13,-0.2 0.655 107.1 78.3 -63.9 -14.8 26.2 7.7 -2.4 14 14 A D + 0 0 52 2,-0.0 -1,-0.2 0, 0.0 2,-0.1 -0.211 65.3 160.8 -90.9 49.6 28.4 7.3 -5.4 15 15 A Q + 0 0 24 -2,-0.8 11,-0.0 -3,-0.3 -4,-0.0 -0.401 17.6 171.6 -69.5 142.0 25.6 6.1 -7.8 16 16 A K S S+ 0 0 97 269,-0.1 -1,-0.1 -2,-0.1 270,-0.0 0.633 73.6 47.2-119.9 -31.0 26.2 6.3 -11.5 17 17 A N S S+ 0 0 2 268,-0.1 36,-2.3 267,-0.1 2,-0.5 0.019 85.1 99.5-107.1 28.4 23.3 4.4 -13.0 18 18 A L E -R 52 0B 15 34,-0.2 2,-1.0 35,-0.1 34,-0.2 -0.961 61.5-146.0-115.1 127.2 20.3 5.9 -11.1 19 19 A I E -R 51 0B 57 32,-3.5 32,-0.8 -2,-0.5 2,-0.4 -0.823 21.9-152.1 -91.2 104.0 18.2 8.6 -12.7 20 20 A F E -R 50 0B 82 -2,-1.0 2,-0.4 30,-0.2 30,-0.2 -0.662 16.9-177.8 -81.3 126.8 17.3 10.8 -9.7 21 21 A Q E > -R 49 0B 27 28,-2.6 28,-1.9 -2,-0.4 3,-1.6 -0.950 50.0 -16.6-126.4 146.7 14.0 12.6 -10.0 22 22 A G E 3 S-R 48 0B 58 -2,-0.4 26,-0.3 1,-0.2 12,-0.1 -0.396 126.0 -22.9 64.2-134.8 12.3 15.0 -7.7 23 23 A D T 3 S+ 0 0 62 24,-3.3 -1,-0.2 10,-0.2 25,-0.2 0.378 96.0 130.9 -93.0 4.7 13.7 14.8 -4.2 24 24 A A < + 0 0 7 -3,-1.6 2,-0.3 25,-0.2 9,-0.2 -0.321 27.1 144.5 -61.5 135.1 15.1 11.3 -4.3 25 25 A Q E -C 32 0A 88 7,-1.8 7,-3.4 9,-0.1 2,-0.3 -0.982 48.8 -87.2-165.2 162.9 18.7 11.0 -3.1 26 26 A I E +C 31 0A 26 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.602 43.5 161.3 -82.8 134.3 21.1 8.7 -1.3 27 27 A K E > -C 30 0A 68 3,-2.9 3,-0.6 -2,-0.3 -16,-0.1 -0.930 69.2 -0.3-153.0 126.0 21.4 8.7 2.5 28 28 A N T 3 S- 0 0 149 -2,-0.3 -17,-0.1 1,-0.2 3,-0.1 0.891 128.7 -60.1 61.8 40.9 22.8 6.1 4.8 29 29 A N T 3 S+ 0 0 88 1,-0.2 -18,-3.1 -18,-0.1 2,-0.3 0.775 121.1 99.9 57.4 30.1 23.6 3.9 1.8 30 30 A A E < S-C 27 0A 8 -3,-0.6 -3,-2.9 -20,-0.2 2,-0.7 -0.917 80.7-107.1-137.8 161.9 19.9 3.8 0.9 31 31 A V E -CD 26 218A 0 187,-2.3 187,-2.7 -2,-0.3 2,-1.1 -0.849 23.7-159.6 -93.8 116.1 17.7 5.7 -1.5 32 32 A Q E -CD 25 217A 11 -7,-3.4 -7,-1.8 -2,-0.7 185,-0.2 -0.841 8.4-174.3 -94.2 96.8 15.5 8.2 0.3 33 33 A L S S+ 0 0 0 183,-2.3 2,-0.3 -2,-1.1 -10,-0.2 0.908 70.2 47.8 -57.5 -42.7 12.9 8.6 -2.3 34 34 A T S S- 0 0 1 182,-0.3 182,-0.2 -3,-0.2 -9,-0.1 -0.724 101.5 -89.7-103.3 152.3 11.3 11.4 -0.2 35 35 A K - 0 0 57 -2,-0.3 8,-1.8 8,-0.1 2,-0.3 -0.212 37.8-173.0 -61.9 141.4 12.9 14.3 1.4 36 36 A T B -X 42 0C 13 6,-0.2 -4,-0.0 -4,-0.1 -1,-0.0 -0.965 21.9-120.0-132.0 146.7 14.3 14.1 5.0 37 37 A D > - 0 0 57 4,-2.2 3,-1.8 -2,-0.3 -1,-0.1 0.041 48.1 -76.4 -74.6-169.3 15.7 17.1 7.0 38 38 A S T 3 S+ 0 0 121 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.513 135.4 51.6 -68.9 -3.4 19.2 17.4 8.5 39 39 A N T 3 S- 0 0 126 2,-0.2 -1,-0.3 3,-0.0 -2,-0.0 0.348 119.4-108.4-112.1 1.3 18.1 14.9 11.1 40 40 A G S < S+ 0 0 37 -3,-1.8 -2,-0.1 1,-0.3 175,-0.1 0.668 70.5 145.3 80.2 16.2 16.8 12.3 8.7 41 41 A N - 0 0 77 1,-0.1 -4,-2.2 173,-0.0 -1,-0.3 -0.690 55.3-109.3 -88.4 138.7 13.2 13.0 9.6 42 42 A P B -X 36 0C 10 0, 0.0 2,-0.3 0, 0.0 -6,-0.2 -0.370 36.9-155.1 -64.8 145.4 10.6 12.8 6.9 43 43 A V - 0 0 38 -8,-1.8 171,-0.3 171,-0.2 3,-0.1 -0.805 16.1 -99.9-120.3 164.0 9.2 16.1 5.8 44 44 A A S S+ 0 0 38 -2,-0.3 167,-0.2 1,-0.2 166,-0.2 -0.187 90.9 29.9 -77.1 171.7 5.9 17.2 4.1 45 45 A S S S+ 0 0 87 165,-2.2 2,-0.3 1,-0.2 165,-0.2 0.917 83.2 140.4 43.1 70.1 5.2 17.9 0.5 46 46 A T E + S 0 209B 3 163,-2.7 163,-2.4 -3,-0.1 2,-0.3 -0.999 28.5 179.0-144.0 142.9 7.8 15.7 -1.2 47 47 A V E + S 0 208B 24 -2,-0.3 -24,-3.3 161,-0.2 2,-0.3 -0.971 10.7 166.5-137.1 148.9 8.0 13.4 -4.2 48 48 A G E +RS 22 207B 0 159,-2.2 159,-2.0 -2,-0.3 2,-0.3 -0.949 6.3 175.8-164.9 143.4 10.9 11.4 -5.5 49 49 A R E -RS 21 206B 2 -28,-1.9 -28,-2.6 -2,-0.3 2,-0.3 -0.971 11.6-155.4-146.8 157.4 11.6 8.6 -8.0 50 50 A I E -RS 20 205B 0 155,-2.5 155,-1.1 -2,-0.3 2,-0.4 -0.954 5.9-167.5-132.6 155.9 14.6 6.7 -9.3 51 51 A L E -RS 19 204B 1 -32,-0.8 -32,-3.5 -2,-0.3 2,-0.3 -0.996 28.3-117.5-142.4 137.1 15.1 4.9 -12.6 52 52 A F E -R 18 0B 0 151,-2.5 151,-0.2 -2,-0.4 -34,-0.2 -0.601 27.7-133.4 -72.2 137.7 17.8 2.6 -13.6 53 53 A S S S+ 0 0 22 -36,-2.3 2,-0.3 -2,-0.3 -1,-0.1 0.888 83.8 82.3 -62.1 -41.0 19.6 4.2 -16.5 54 54 A A S S- 0 0 0 -37,-0.2 149,-0.3 1,-0.1 2,-0.1 -0.493 83.1-128.1 -69.9 129.3 19.7 1.1 -18.7 55 55 A Q - 0 0 29 -2,-0.3 2,-0.5 147,-0.1 147,-0.2 -0.464 17.0-129.6 -76.9 149.3 16.5 0.6 -20.5 56 56 A V E -Y 201 0D 1 145,-3.6 145,-2.5 -2,-0.1 2,-1.7 -0.869 5.6-137.7-103.4 131.9 14.7 -2.8 -20.3 57 57 A H E +Y 200 0D 11 -2,-0.5 143,-0.2 -56,-0.4 3,-0.1 -0.659 30.4 174.0 -88.9 84.1 13.6 -4.6 -23.5 58 58 A L - 0 0 2 -2,-1.7 9,-3.5 141,-1.3 2,-0.3 0.827 62.8 -11.3 -60.9 -38.0 10.3 -5.6 -21.9 59 59 A W E -E 66 0A 30 140,-1.3 2,-0.4 7,-0.3 7,-0.3 -0.990 56.5-143.4-161.3 160.3 9.0 -7.1 -25.2 60 60 A E E > -E 65 0A 14 5,-3.7 5,-1.9 -2,-0.3 4,-0.5 -0.969 1.6-165.4-135.7 119.9 9.7 -7.2 -28.9 61 61 A K T > 5S+ 0 0 153 -2,-0.4 3,-2.2 3,-0.2 -1,-0.2 0.982 88.7 56.8 -64.7 -58.2 7.1 -7.2 -31.7 62 62 A S T 3 5S+ 0 0 105 1,-0.3 -1,-0.2 2,-0.1 -2,-0.0 0.859 118.1 33.2 -39.4 -52.6 9.4 -8.4 -34.5 63 63 A S T 3 5S- 0 0 22 2,-0.1 -1,-0.3 1,-0.0 -2,-0.2 0.437 104.4-126.3 -89.1 0.6 10.4 -11.6 -32.7 64 64 A S T < 5 + 0 0 91 -3,-2.2 2,-0.3 -4,-0.5 -3,-0.2 0.856 62.8 142.8 58.0 34.7 7.0 -12.0 -30.9 65 65 A R E < -E 60 0A 17 -5,-1.9 -5,-3.7 164,-0.2 2,-0.3 -0.846 35.2-167.7-112.7 147.7 8.9 -12.1 -27.6 66 66 A V E -EF 59 228A 20 162,-1.8 162,-2.3 -2,-0.3 -7,-0.3 -0.941 28.4-107.7-127.5 149.6 8.0 -10.8 -24.2 67 67 A A E - F 0 227A 0 -9,-3.5 2,-0.6 -2,-0.3 160,-0.2 -0.488 11.0-148.2 -84.1 146.9 10.3 -10.5 -21.2 68 68 A N E + F 0 226A 43 158,-2.4 158,-1.5 -2,-0.2 2,-0.3 -0.967 36.8 174.8-105.2 118.1 10.2 -12.7 -18.1 69 69 A F E -GF 166 225A 1 97,-1.0 97,-2.3 -2,-0.6 2,-0.4 -0.944 23.3-161.5-133.2 156.2 11.4 -10.3 -15.4 70 70 A Q E -GF 165 224A 83 154,-2.7 154,-2.1 -2,-0.3 2,-0.4 -0.990 1.1-169.1-134.7 142.3 11.9 -10.2 -11.6 71 71 A S E -GF 164 223A 0 93,-2.9 93,-3.3 -2,-0.4 2,-0.4 -0.949 7.3-178.2-135.6 111.9 12.2 -7.3 -9.3 72 72 A Q E +GF 163 222A 72 150,-2.5 150,-2.7 -2,-0.4 2,-0.3 -0.898 16.4 149.7-110.2 140.0 13.3 -7.9 -5.7 73 73 A F E -GF 162 221A 1 89,-2.4 89,-3.9 -2,-0.4 2,-0.4 -0.988 31.4-144.0-164.9 157.7 13.6 -5.0 -3.2 74 74 A S E +GF 161 220A 24 146,-1.4 145,-2.0 -2,-0.3 146,-1.2 -0.969 22.8 166.1-127.8 143.1 13.3 -4.0 0.4 75 75 A F E -GF 160 218A 3 85,-1.2 85,-2.7 -2,-0.4 2,-0.3 -0.947 16.7-155.8-147.5 167.8 12.1 -0.8 1.9 76 76 A S E - F 0 217A 12 141,-1.3 141,-2.0 -2,-0.3 2,-0.5 -0.988 8.3-146.6-146.1 147.9 11.0 0.6 5.2 77 77 A L E + F 0 216A 5 81,-0.5 80,-2.5 78,-0.4 81,-0.4 -0.979 17.4 179.8-121.6 129.3 8.7 3.5 6.1 78 78 A K E + F 0 215A 67 137,-0.6 137,-2.9 -2,-0.5 -2,-0.0 -0.980 6.7 161.6-129.2 142.9 9.3 5.7 9.2 79 79 A S - 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