==== 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 09-APR-06 2GNB . COMPND 2 MOLECULE: LECTIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PTEROCARPUS ANGOLENSIS; . AUTHOR A.GARCIA-PINO,L.BUTS,L.WYNS,R.LORIS . 466 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18050.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 319 68.5 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 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 . 2 0.4 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 . 46 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 11 2.4 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 1 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 2 3 8 6 2 0 0 0 0 0 2 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 9 0, 0.0 56,-0.3 0, 0.0 246,-0.2 0.000 360.0 360.0 360.0 144.1 -5.7 2.6 15.2 2 2 A D + 0 0 20 244,-1.6 233,-1.8 247,-0.2 2,-0.4 0.834 360.0 37.2 -72.6 -35.2 -7.3 1.9 18.5 3 3 A S E +AB 234 246A 37 243,-1.4 243,-1.9 231,-0.2 2,-0.3 -0.945 66.0 167.9-123.6 143.2 -3.9 2.1 20.2 4 4 A L E +AB 233 245A 9 229,-2.5 229,-2.6 -2,-0.4 2,-0.3 -0.986 0.7 164.3-152.3 139.0 -0.9 4.4 19.5 5 5 A S E +AB 232 244A 27 239,-2.2 239,-2.5 -2,-0.3 2,-0.3 -0.989 4.3 174.5-155.3 150.6 2.3 5.2 21.4 6 6 A F E -AB 231 243A 3 225,-2.6 225,-2.9 -2,-0.3 2,-0.4 -0.985 13.0-151.5-154.3 152.2 5.6 6.9 20.6 7 7 A G E -AB 230 242A 7 235,-2.0 234,-1.5 -2,-0.3 235,-1.3 -0.989 10.1-171.1-137.9 131.3 8.7 7.8 22.6 8 8 A F E +A 229 0A 3 221,-3.2 221,-2.1 -2,-0.4 3,-0.1 -0.859 6.8 175.8-115.6 91.3 11.3 10.6 22.2 9 9 A P S S- 0 0 75 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.871 81.1 -9.1 -62.1 -33.1 14.1 9.9 24.7 10 10 A T S S- 0 0 56 -3,-0.1 20,-0.2 219,-0.1 231,-0.2 -0.886 77.1-109.1-149.7 175.7 15.9 12.8 23.0 11 11 A F - 0 0 0 18,-2.8 18,-0.2 -2,-0.3 16,-0.1 -0.709 29.9-167.1-120.7 82.0 15.3 15.0 19.9 12 12 A P - 0 0 19 0, 0.0 15,-0.0 0, 0.0 14,-0.0 -0.254 34.1-114.2 -60.8 153.6 17.9 14.3 17.2 13 13 A S S S+ 0 0 106 1,-0.2 2,-1.3 13,-0.1 13,-0.1 0.585 100.0 86.2 -68.6 -8.7 17.9 16.9 14.3 14 14 A D + 0 0 53 2,-0.0 2,-0.3 0, 0.0 -1,-0.2 -0.599 63.3 165.8 -93.3 75.6 16.7 14.3 11.8 15 15 A Q + 0 0 30 -2,-1.3 -2,-0.0 1,-0.1 -4,-0.0 -0.743 20.3 161.4 -98.2 140.5 12.9 14.6 12.4 16 16 A K S S+ 0 0 99 -2,-0.3 -1,-0.1 278,-0.1 278,-0.1 0.618 74.6 45.1-124.2 -26.8 10.2 13.2 10.2 17 17 A N S S+ 0 0 3 276,-0.1 36,-3.1 277,-0.1 2,-0.5 0.183 88.0 97.9-109.4 18.3 7.0 13.0 12.2 18 18 A L E -R 52 0B 15 34,-0.2 2,-0.7 35,-0.1 34,-0.2 -0.898 59.6-147.7-109.7 134.3 7.0 16.4 13.9 19 19 A I E -R 51 0B 54 32,-3.1 32,-1.4 -2,-0.5 2,-0.5 -0.894 17.9-156.1 -99.2 115.5 5.1 19.4 12.7 20 20 A F E -R 50 0B 80 -2,-0.7 2,-0.3 30,-0.2 30,-0.2 -0.813 12.8-177.5 -96.2 128.6 7.0 22.6 13.5 21 21 A Q E > -R 49 0B 30 28,-2.9 28,-2.2 -2,-0.5 3,-1.5 -0.941 51.8 -15.2-125.3 148.1 5.1 25.9 13.7 22 22 A G E 3 S-R 48 0B 56 -2,-0.3 26,-0.3 1,-0.2 12,-0.1 -0.384 125.9 -20.4 65.2-135.2 6.4 29.4 14.4 23 23 A D T 3 S+ 0 0 71 24,-3.3 -1,-0.2 10,-0.2 25,-0.2 0.345 95.2 131.4 -91.3 6.3 10.0 29.5 15.7 24 24 A A < + 0 0 9 -3,-1.5 2,-0.3 23,-0.2 9,-0.2 -0.336 27.5 148.0 -62.9 136.5 10.2 26.0 17.0 25 25 A Q E -C 32 0A 98 7,-1.7 7,-3.0 9,-0.1 2,-0.4 -0.989 46.4 -94.2-163.0 163.6 13.3 24.0 16.0 26 26 A I E +C 31 0A 27 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.682 42.7 160.4 -88.2 134.7 15.7 21.3 17.0 27 27 A K E > -C 30 0A 32 3,-2.4 3,-1.1 -2,-0.4 -16,-0.1 -0.945 66.5 -4.8-154.2 128.3 19.0 22.2 18.7 28 28 A N T 3 S- 0 0 156 -2,-0.3 -17,-0.1 1,-0.3 3,-0.1 0.905 126.2 -57.7 54.4 47.4 21.3 20.1 20.8 29 29 A N T 3 S+ 0 0 88 -18,-0.2 -18,-2.8 1,-0.2 2,-0.3 0.723 120.8 93.2 57.7 25.0 19.0 17.1 20.7 30 30 A A E < S-C 27 0A 10 -3,-1.1 -3,-2.4 -20,-0.2 2,-0.7 -0.933 80.5-106.8-140.4 162.8 16.1 19.1 22.2 31 31 A V E -CD 26 226A 0 195,-2.7 195,-2.7 -2,-0.3 2,-1.0 -0.840 23.3-159.7 -96.5 118.5 13.2 21.1 21.0 32 32 A Q E -CD 25 225A 21 -7,-3.0 -7,-1.7 -2,-0.7 193,-0.2 -0.850 9.5-177.0 -96.0 100.4 13.6 24.8 21.4 33 33 A L + 0 0 0 191,-2.2 2,-0.3 -2,-1.0 -10,-0.2 0.897 67.5 50.2 -65.9 -41.4 10.1 26.0 21.2 34 34 A T S S- 0 0 1 190,-0.4 190,-0.2 -3,-0.1 -9,-0.1 -0.768 101.0 -90.0-103.3 148.2 11.0 29.7 21.4 35 35 A K - 0 0 41 -2,-0.3 8,-1.3 182,-0.1 2,-0.3 -0.177 40.5-170.1 -55.8 137.4 13.7 31.5 19.3 36 36 A T B -X 42 0C 26 6,-0.2 -1,-0.0 -13,-0.2 -4,-0.0 -0.968 17.7-123.3-130.7 144.8 17.3 31.6 20.5 37 37 A D > - 0 0 63 4,-2.9 3,-1.7 -2,-0.3 -1,-0.0 -0.067 43.0 -84.9 -76.5-176.2 20.2 33.6 19.1 38 38 A S T 3 S+ 0 0 84 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.825 130.3 55.9 -59.6 -33.6 23.6 32.3 17.9 39 39 A N T 3 S- 0 0 142 2,-0.1 -1,-0.3 1,-0.0 -2,-0.0 0.528 121.2-109.7 -77.4 -5.2 24.9 32.3 21.5 40 40 A G S < S+ 0 0 42 -3,-1.7 -2,-0.1 1,-0.3 183,-0.1 0.716 73.1 140.1 83.4 21.4 21.9 30.1 22.5 41 41 A N - 0 0 67 1,-0.1 -4,-2.9 38,-0.0 -1,-0.3 -0.746 54.9-105.5-100.5 146.5 20.2 32.9 24.4 42 42 A P B -X 36 0C 11 0, 0.0 2,-0.3 0, 0.0 -6,-0.2 -0.290 31.4-157.5 -67.5 151.6 16.5 33.6 24.5 43 43 A V - 0 0 46 -8,-1.3 179,-0.3 179,-0.2 3,-0.2 -0.870 19.0-106.6-126.5 161.1 15.0 36.6 22.6 44 44 A A S S+ 0 0 39 -2,-0.3 175,-0.2 1,-0.2 174,-0.2 -0.331 90.2 33.9 -84.3 169.3 11.7 38.5 23.1 45 45 A S S S+ 0 0 105 173,-3.0 2,-0.3 175,-0.2 173,-0.2 0.953 83.3 136.0 50.9 64.2 8.6 38.3 20.9 46 46 A T E - S 0 217B 3 171,-2.0 171,-2.3 -3,-0.2 2,-0.4 -0.999 30.4-176.3-142.1 142.2 8.8 34.7 19.8 47 47 A V E + S 0 216B 24 -2,-0.3 -24,-3.3 169,-0.2 2,-0.3 -0.999 8.4 169.3-139.2 139.9 6.3 31.9 19.5 48 48 A G E +RS 22 215B 0 167,-2.1 167,-2.1 -2,-0.4 2,-0.3 -0.997 5.1 176.3-152.0 149.0 6.8 28.2 18.7 49 49 A R E -RS 21 214B 2 -28,-2.2 -28,-2.9 -2,-0.3 2,-0.3 -0.971 9.3-160.7-148.2 160.1 4.8 24.9 18.7 50 50 A I E -RS 20 213B 0 163,-2.2 163,-1.6 -2,-0.3 2,-0.3 -0.985 5.5-172.7-141.5 151.2 5.2 21.3 17.6 51 51 A L E -RS 19 212B 2 -32,-1.4 -32,-3.1 -2,-0.3 2,-0.4 -0.983 31.6-113.1-141.0 147.6 2.7 18.5 17.0 52 52 A F E -R 18 0B 0 159,-2.2 159,-0.3 -2,-0.3 -34,-0.2 -0.698 28.8-135.1 -79.6 137.4 3.1 14.8 16.3 53 53 A S S S+ 0 0 23 -36,-3.1 -1,-0.1 -2,-0.4 2,-0.1 0.882 81.1 84.9 -62.5 -41.0 2.0 14.2 12.7 54 54 A A S S- 0 0 1 -37,-0.3 2,-0.2 1,-0.1 -2,-0.1 -0.421 83.3-124.4 -65.9 134.3 -0.0 11.1 13.4 55 55 A Q - 0 0 31 -2,-0.1 2,-0.4 155,-0.1 155,-0.2 -0.575 18.6-134.7 -80.4 142.6 -3.6 11.9 14.5 56 56 A V E -Y 209 0D 3 153,-3.2 153,-2.7 -2,-0.2 2,-1.1 -0.826 8.8-134.5 -99.3 135.6 -4.8 10.5 17.8 57 57 A H E +Y 208 0D 11 -2,-0.4 151,-0.2 -56,-0.3 3,-0.1 -0.771 29.5 174.4 -90.8 98.8 -8.2 8.9 18.0 58 58 A L - 0 0 3 149,-2.0 9,-3.5 -2,-1.1 2,-0.3 0.861 61.8 -7.9 -74.8 -41.4 -9.5 10.5 21.2 59 59 A W E -E 66 0A 43 148,-1.3 2,-0.4 7,-0.3 7,-0.2 -0.987 55.2-143.6-154.7 160.3 -13.1 9.1 21.1 60 60 A E E >> -E 65 0A 11 5,-2.9 5,-1.5 -2,-0.3 4,-1.4 -0.905 3.1-167.7-134.2 104.9 -15.4 7.2 18.8 61 61 A K T >45S+ 0 0 83 -2,-0.4 3,-1.1 1,-0.2 -1,-0.2 0.952 88.9 61.2 -51.8 -54.4 -19.1 8.1 18.7 62 62 A S T 345S+ 0 0 117 1,-0.3 -1,-0.2 2,-0.1 -2,-0.0 0.824 118.9 25.1 -40.3 -48.0 -19.9 4.9 16.7 63 63 A S T 345S- 0 0 33 -3,-0.5 -1,-0.3 2,-0.1 -2,-0.2 0.425 101.8-122.6-103.4 -0.2 -18.6 2.6 19.5 64 64 A S T <<5 + 0 0 74 -4,-1.4 174,-0.9 -3,-1.1 2,-0.3 0.829 63.4 145.8 62.3 31.5 -19.1 4.9 22.5 65 65 A R E < -EF 60 237A 14 -5,-1.5 -5,-2.9 172,-0.2 2,-0.4 -0.769 32.0-168.0-103.9 149.3 -15.4 4.5 23.3 66 66 A V E -EF 59 236A 9 170,-2.1 170,-1.9 -2,-0.3 -7,-0.3 -0.995 26.2-110.7-134.7 138.1 -13.1 7.2 24.8 67 67 A A E - F 0 235A 0 -9,-3.5 2,-0.5 -2,-0.4 168,-0.3 -0.336 12.1-146.9 -74.5 148.2 -9.4 7.0 24.9 68 68 A N E + F 0 234A 44 166,-2.6 166,-2.1 107,-0.1 2,-0.3 -0.960 35.6 170.8-107.1 124.0 -7.2 6.5 28.0 69 69 A F E -GF 174 233A 4 105,-1.2 105,-2.4 -2,-0.5 2,-0.3 -0.905 24.5-168.9-137.4 166.2 -4.0 8.4 27.5 70 70 A Q E -GF 173 232A 81 162,-2.0 162,-1.7 -2,-0.3 2,-0.5 -0.928 4.6-163.8-157.5 131.8 -0.8 9.6 29.2 71 71 A S E -GF 172 231A 0 101,-2.5 101,-2.6 -2,-0.3 2,-0.5 -0.974 6.9-169.9-117.7 124.7 1.9 12.0 28.1 72 72 A Q E +GF 171 230A 110 158,-2.8 158,-2.9 -2,-0.5 2,-0.3 -0.962 20.5 153.0-116.1 130.3 5.2 12.0 29.9 73 73 A F E -GF 170 229A 3 97,-2.3 97,-3.6 -2,-0.5 2,-0.4 -0.982 30.3-146.6-153.5 165.2 7.7 14.8 29.3 74 74 A S E +GF 169 228A 6 154,-1.7 153,-2.6 -2,-0.3 154,-1.2 -0.988 20.8 166.6-135.5 141.1 10.5 16.8 30.6 75 75 A F E -GF 168 226A 3 93,-1.5 93,-3.0 -2,-0.4 2,-0.3 -0.962 15.6-157.7-148.5 165.1 11.5 20.5 30.0 76 76 A S E - F 0 225A 15 149,-1.6 149,-2.1 -2,-0.3 2,-0.4 -0.979 8.6-147.0-144.3 151.4 13.7 23.2 31.4 77 77 A L E - F 0 224A 6 86,-0.5 88,-3.7 89,-0.4 89,-0.3 -0.958 19.4-179.7-122.0 140.6 13.6 26.9 31.3 78 78 A K E + F 0 223A 58 145,-0.8 145,-2.6 -2,-0.4 3,-0.1 -0.985 8.8 161.9-142.9 151.5 16.7 29.1 31.2 79 79 A S - 0 0 6 -2,-0.3 143,-0.1 143,-0.2 5,-0.1 -0.945 43.5-125.8-166.4 145.8 17.6 32.8 31.1 80 80 A P S S+ 0 0 89 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.823 99.0 69.1 -63.3 -31.0 20.6 35.1 31.8 81 81 A L S S- 0 0 83 2,-0.2 -2,-0.1 140,-0.1 0, 0.0 -0.481 100.6-107.9 -86.2 160.4 18.2 37.1 34.0 82 82 A S S S+ 0 0 125 -2,-0.2 2,-0.3 -4,-0.1 82,-0.2 0.668 98.9 24.2 -63.2 -19.6 16.9 35.7 37.3 83 83 A N - 0 0 53 138,-0.1 2,-0.3 80,-0.1 138,-0.2 -0.939 67.8-171.4-142.7 164.6 13.3 35.2 35.9 84 84 A G - 0 0 0 -2,-0.3 2,-0.3 47,-0.2 138,-0.2 -0.902 13.2 -80.4-149.7 177.7 11.6 34.7 32.6 85 85 A A - 0 0 0 -2,-0.3 2,-0.1 47,-0.1 20,-0.1 -0.926 57.6 -13.2-148.9 168.2 8.4 34.5 30.6 86 86 A D - 0 0 33 -2,-0.3 45,-1.3 131,-0.2 46,-0.3 -0.915 69.7-121.5-104.1 -27.5 5.9 33.6 29.4 87 87 A G E -TU 130 216B 0 129,-1.0 129,-1.4 43,-0.2 2,-0.3 -0.802 9.4 -99.3 147.8 170.9 5.6 29.8 29.7 88 88 A I E -TU 129 215B 1 41,-1.2 41,-2.8 -2,-0.2 2,-0.3 -0.876 28.7-167.9-123.2 155.1 5.2 26.4 28.1 89 89 A A E -TU 128 214B 0 125,-2.6 125,-2.5 -2,-0.3 2,-0.4 -0.991 19.8-143.7-150.9 139.4 2.1 24.2 27.5 90 90 A F E -TU 127 213B 4 37,-2.0 37,-2.6 -2,-0.3 2,-0.3 -0.811 38.2-179.7 -92.8 135.8 1.2 20.7 26.5 91 91 A F E -TU 126 212B 1 121,-2.4 121,-1.9 -2,-0.4 2,-0.4 -0.981 31.7-151.1-146.0 160.1 -2.0 20.8 24.5 92 92 A I E +TU 125 211B 6 33,-2.6 33,-2.0 -2,-0.3 119,-0.2 -0.994 36.0 146.5-125.7 127.3 -4.6 18.7 22.6 93 93 A A E - 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