==== 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 06-APR-06 2GME . 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) . 18067.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 295 64.6 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 . 208 45.5 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 . 31 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 8 1.8 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 8 0 0 0 2 0 0 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 7 0, 0.0 56,-0.5 0, 0.0 236,-0.3 0.000 360.0 360.0 360.0 143.0 20.2 -6.4 -24.9 2 2 A D + 0 0 22 234,-1.8 224,-1.8 237,-0.1 2,-0.4 0.816 360.0 37.5 -69.4 -31.8 17.8 -9.3 -24.7 3 3 A S E +AB 225 236A 43 233,-1.2 233,-2.0 222,-0.2 2,-0.3 -0.956 65.9 171.1-126.4 143.0 18.8 -9.8 -21.1 4 4 A L E +AB 224 235A 8 220,-2.3 220,-2.0 -2,-0.4 2,-0.3 -0.980 2.0 168.7-150.9 134.2 19.7 -7.3 -18.4 5 5 A S E +AB 223 234A 31 229,-2.5 229,-2.6 -2,-0.3 2,-0.3 -0.995 1.6 170.2-147.8 149.5 20.3 -7.6 -14.7 6 6 A F E -AB 222 233A 5 216,-2.3 216,-2.7 -2,-0.3 2,-0.4 -0.986 13.8-153.0-156.1 152.4 21.6 -5.4 -11.9 7 7 A G E -AB 221 232A 7 225,-2.0 224,-1.9 -2,-0.3 225,-1.3 -0.982 9.9-173.2-140.0 130.5 21.9 -5.5 -8.1 8 8 A F E +A 220 0A 3 212,-3.4 212,-2.1 -2,-0.4 3,-0.1 -0.864 5.5 176.1-116.9 91.7 22.1 -2.9 -5.4 9 9 A P S S- 0 0 76 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.851 82.6 -8.2 -62.3 -30.3 22.7 -4.6 -2.0 10 10 A T S S- 0 0 59 -3,-0.1 20,-0.2 210,-0.1 221,-0.1 -0.894 74.7-114.4-151.0 174.8 22.9 -1.0 -0.7 11 11 A F - 0 0 0 18,-2.6 18,-0.1 -2,-0.3 4,-0.1 -0.718 30.2-166.9-123.2 81.3 23.0 2.5 -2.2 12 12 A P - 0 0 19 0, 0.0 3,-0.2 0, 0.0 15,-0.0 -0.198 35.4-108.0 -60.7 160.8 26.3 4.2 -1.5 13 13 A S S S+ 0 0 96 1,-0.2 2,-1.2 13,-0.1 13,-0.1 0.683 105.0 80.9 -67.2 -17.7 26.5 8.0 -2.3 14 14 A D + 0 0 53 2,-0.0 -1,-0.2 0, 0.0 2,-0.1 -0.228 65.5 165.7 -86.5 51.7 28.6 7.6 -5.4 15 15 A Q + 0 0 28 -2,-1.2 -2,-0.0 -3,-0.2 -4,-0.0 -0.381 15.9 164.8 -68.8 141.4 25.7 6.6 -7.7 16 16 A K S S+ 0 0 97 268,-0.1 -1,-0.1 -2,-0.1 269,-0.1 0.615 71.3 47.1-125.0 -33.4 26.3 6.7 -11.5 17 17 A N S S+ 0 0 2 267,-0.1 36,-2.9 266,-0.1 2,-0.5 0.127 86.9 97.4-103.4 19.7 23.4 4.8 -13.0 18 18 A L E -R 52 0B 16 34,-0.2 2,-0.8 35,-0.1 34,-0.2 -0.924 61.0-145.8-112.7 134.3 20.4 6.2 -11.2 19 19 A I E -R 51 0B 55 32,-3.1 32,-1.2 -2,-0.5 2,-0.4 -0.874 21.5-154.9 -94.7 111.7 18.2 9.0 -12.6 20 20 A F E -R 50 0B 78 -2,-0.8 2,-0.4 30,-0.2 30,-0.2 -0.773 13.9-176.6 -91.2 132.0 17.2 11.0 -9.6 21 21 A Q E > -R 49 0B 27 28,-2.8 28,-2.2 -2,-0.4 3,-1.5 -0.959 50.6 -15.1-128.9 146.5 13.9 13.0 -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 -0.391 126.4 -20.4 66.1-137.1 12.3 15.4 -7.5 23 23 A D T 3 S+ 0 0 61 24,-3.4 -1,-0.2 10,-0.2 25,-0.2 0.408 95.4 133.3 -88.0 2.1 13.6 15.3 -4.0 24 24 A A < + 0 0 9 -3,-1.5 2,-0.3 23,-0.2 9,-0.2 -0.263 25.6 145.9 -58.3 133.8 15.2 11.8 -4.3 25 25 A Q E -C 32 0A 86 7,-1.8 7,-3.3 9,-0.1 2,-0.4 -0.982 48.2 -92.7-162.4 163.9 18.7 11.5 -3.0 26 26 A I E +C 31 0A 24 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.718 45.3 156.7 -89.1 130.3 21.1 9.1 -1.2 27 27 A K E > +C 30 0A 53 3,-2.7 3,-1.0 -2,-0.4 -16,-0.1 -0.968 66.5 4.6-151.6 135.3 21.4 9.2 2.6 28 28 A N T 3 S- 0 0 140 -2,-0.3 -17,-0.1 1,-0.2 3,-0.1 0.855 127.2 -63.3 58.2 37.6 22.7 6.5 5.0 29 29 A N T 3 S+ 0 0 93 1,-0.2 -18,-2.6 -18,-0.1 2,-0.3 0.785 120.8 93.9 57.4 31.0 23.5 4.2 2.1 30 30 A A E < S-C 27 0A 7 -3,-1.0 -3,-2.7 -20,-0.2 2,-0.6 -0.946 84.1-101.6-143.5 160.7 19.9 4.1 1.0 31 31 A V E -CD 26 217A 0 186,-2.5 186,-2.7 -2,-0.3 2,-1.1 -0.786 25.4-158.0 -89.0 118.6 17.7 6.0 -1.4 32 32 A Q E -CD 25 216A 12 -7,-3.3 -7,-1.8 -2,-0.6 184,-0.2 -0.845 10.4-175.7 -94.9 99.1 15.6 8.6 0.5 33 33 A L + 0 0 0 182,-2.2 2,-0.3 -2,-1.1 -10,-0.2 0.900 69.2 45.3 -63.0 -42.2 12.8 9.0 -2.1 34 34 A T S S- 0 0 0 181,-0.4 181,-0.3 -3,-0.1 -9,-0.1 -0.747 103.0 -87.0-103.6 153.8 11.1 11.7 -0.1 35 35 A K - 0 0 54 -2,-0.3 8,-1.6 8,-0.1 2,-0.3 -0.228 39.5-173.6 -62.6 140.4 12.8 14.7 1.6 36 36 A T B -X 42 0C 9 6,-0.2 -4,-0.0 -4,-0.1 5,-0.0 -0.931 18.7-125.0-129.2 153.0 14.3 14.5 5.1 37 37 A D > - 0 0 58 4,-2.8 3,-1.8 -2,-0.3 -1,-0.1 -0.075 45.7 -72.9 -86.5-168.3 15.7 17.3 7.2 38 38 A S T 3 S+ 0 0 127 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.756 133.4 48.5 -57.2 -29.9 19.1 17.7 9.0 39 39 A N T 3 S- 0 0 137 2,-0.1 -1,-0.3 3,-0.0 0, 0.0 0.436 121.2-105.7 -92.0 -1.3 18.1 15.1 11.6 40 40 A G S < S+ 0 0 36 -3,-1.8 -2,-0.1 1,-0.3 174,-0.0 0.559 74.0 143.7 87.9 8.5 16.9 12.6 9.1 41 41 A N - 0 0 77 1,-0.1 -4,-2.8 172,-0.0 -1,-0.3 -0.597 53.5-109.3 -84.1 142.3 13.3 13.3 9.9 42 42 A P B -X 36 0C 11 0, 0.0 2,-0.3 0, 0.0 -6,-0.2 -0.293 32.2-153.7 -67.6 153.4 10.7 13.3 7.1 43 43 A V - 0 0 39 -8,-1.6 170,-0.3 170,-0.2 3,-0.2 -0.884 17.3-102.9-127.4 159.8 9.1 16.6 6.0 44 44 A A S S+ 0 0 34 -2,-0.3 166,-0.2 1,-0.2 165,-0.2 -0.300 90.5 30.6 -79.4 164.3 5.7 17.4 4.4 45 45 A S S S+ 0 0 83 164,-2.4 2,-0.3 166,-0.2 164,-0.2 0.955 82.9 136.3 54.4 64.7 5.1 18.3 0.7 46 46 A T E - S 0 208B 2 162,-2.0 162,-2.3 -3,-0.2 2,-0.3 -0.993 29.5-177.8-142.0 146.7 7.8 16.2 -1.0 47 47 A V E + S 0 207B 25 -2,-0.3 -24,-3.4 160,-0.2 2,-0.3 -0.996 10.9 164.2-142.2 142.8 8.0 13.9 -4.0 48 48 A G E +RS 22 206B 0 158,-2.2 158,-1.8 -2,-0.3 2,-0.3 -0.988 7.7 178.3-159.7 150.1 10.9 11.9 -5.4 49 49 A R E -RS 21 205B 2 -28,-2.2 -28,-2.8 -2,-0.3 2,-0.3 -0.965 10.8-156.1-148.4 161.4 11.7 9.1 -7.8 50 50 A I E -RS 20 204B 0 154,-2.2 154,-1.7 -2,-0.3 2,-0.3 -0.974 7.0-171.4-137.7 152.3 14.6 7.1 -9.2 51 51 A L E -RS 19 203B 2 -32,-1.2 -32,-3.1 -2,-0.3 2,-0.3 -0.984 31.8-111.6-139.6 144.8 14.9 5.1 -12.4 52 52 A F E -R 18 0B 0 150,-2.5 150,-0.3 -2,-0.3 -34,-0.2 -0.613 28.2-131.9 -75.9 142.1 17.8 2.8 -13.5 53 53 A S S S+ 0 0 23 -36,-2.9 2,-0.2 -2,-0.3 -1,-0.1 0.898 83.5 79.6 -63.7 -43.6 19.6 4.5 -16.4 54 54 A A S S- 0 0 0 -37,-0.3 148,-0.3 1,-0.1 2,-0.2 -0.486 82.3-126.2 -71.7 132.5 19.7 1.5 -18.7 55 55 A Q - 0 0 26 -2,-0.2 2,-0.4 146,-0.1 146,-0.2 -0.490 16.8-134.2 -77.9 146.4 16.5 0.8 -20.6 56 56 A V E -Y 200 0D 3 144,-3.0 144,-2.3 -2,-0.2 2,-1.3 -0.860 8.2-135.6-103.5 132.4 14.8 -2.6 -20.4 57 57 A H E +Y 199 0D 10 -56,-0.5 142,-0.2 -2,-0.4 3,-0.1 -0.738 30.1 175.5 -88.9 95.4 13.6 -4.3 -23.6 58 58 A L - 0 0 3 140,-1.9 9,-3.4 -2,-1.3 2,-0.3 0.807 61.5 -7.0 -70.6 -36.8 10.2 -5.5 -22.2 59 59 A W E -E 66 0A 30 139,-1.3 2,-0.4 7,-0.3 7,-0.2 -0.985 55.8-149.6-157.9 158.8 8.8 -6.9 -25.4 60 60 A E E >> -E 65 0A 16 5,-2.8 5,-2.1 -2,-0.3 4,-0.6 -0.946 0.9-164.6-139.2 115.1 9.6 -7.2 -29.1 61 61 A K T >45S+ 0 0 154 -2,-0.4 3,-1.0 1,-0.2 -1,-0.1 0.910 87.4 59.6 -63.9 -45.3 7.0 -7.4 -31.8 62 62 A S T 345S+ 0 0 108 1,-0.3 -1,-0.2 2,-0.1 -2,-0.0 0.838 117.4 31.6 -54.2 -38.2 9.2 -8.5 -34.6 63 63 A S T 345S- 0 0 22 -3,-0.2 -1,-0.3 2,-0.1 -2,-0.2 0.405 105.1-125.2-100.9 0.9 10.2 -11.7 -32.7 64 64 A S T <<5 + 0 0 93 -3,-1.0 2,-0.3 -4,-0.6 -3,-0.2 0.913 62.4 144.0 55.3 44.3 6.9 -12.1 -30.9 65 65 A R E < -E 60 0A 22 -5,-2.1 -5,-2.8 163,-0.2 2,-0.4 -0.857 34.6-169.3-116.7 151.7 8.8 -12.1 -27.6 66 66 A V E -EF 59 227A 23 161,-2.0 161,-1.4 -2,-0.3 -7,-0.3 -0.998 29.1-110.5-137.3 137.8 7.9 -10.8 -24.1 67 67 A A E - F 0 226A 0 -9,-3.4 2,-0.6 -2,-0.4 159,-0.3 -0.322 10.9-144.5 -74.1 148.8 10.3 -10.5 -21.2 68 68 A N E + F 0 225A 49 157,-2.6 157,-1.9 98,-0.1 2,-0.3 -0.953 36.9 176.1-103.9 123.0 10.2 -12.5 -18.0 69 69 A F E -GF 165 224A 4 96,-1.3 96,-2.5 -2,-0.6 2,-0.4 -0.951 23.6-162.9-136.9 157.5 11.3 -10.2 -15.3 70 70 A Q E -GF 164 223A 84 153,-2.6 153,-2.1 -2,-0.3 2,-0.4 -0.996 0.4-169.6-136.8 142.0 11.8 -10.0 -11.5 71 71 A S E -GF 163 222A 0 92,-2.7 92,-2.7 -2,-0.4 2,-0.4 -0.955 7.9-177.6-135.8 112.9 12.2 -7.0 -9.2 72 72 A Q E +GF 162 221A 106 149,-2.5 149,-2.8 -2,-0.4 2,-0.3 -0.927 16.5 150.2-112.5 134.5 13.2 -7.6 -5.6 73 73 A F E -GF 161 220A 2 88,-2.3 88,-3.1 -2,-0.4 2,-0.4 -0.991 31.3-142.9-158.7 162.6 13.6 -4.8 -3.1 74 74 A S E +GF 160 219A 14 145,-1.7 144,-2.6 -2,-0.3 145,-1.1 -0.991 21.5 169.4-132.6 140.0 13.3 -3.7 0.5 75 75 A F E -GF 159 217A 3 84,-1.6 84,-3.0 -2,-0.4 2,-0.3 -0.962 15.5-156.0-144.8 162.3 12.0 -0.5 2.0 76 76 A S E - 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