==== 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 21-NOV-00 1G8W . COMPND 2 MOLECULE: LEUCOAGGLUTINATING PHYTOHEMAGGLUTININ; . SOURCE 2 ORGANISM_SCIENTIFIC: PHASEOLUS VULGARIS; . AUTHOR L.BUTS,T.W.HAMELRYCK,M.DAO-THI,R.LORIS,L.WYNS,M.E.ETZLER . 932 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34090.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 642 68.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 0.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 404 43.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 16 1.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 103 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 28 3.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 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 4 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 . 4 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 . 6 12 0 4 10 8 12 4 4 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 4 0 0 0 0 0 0 0 2 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 39 0, 0.0 2,-0.8 0, 0.0 232,-0.2 0.000 360.0 360.0 360.0 124.8 23.9 11.5 32.0 2 2 A N E -A 232 0A 32 230,-1.8 230,-0.9 240,-0.1 240,-0.2 -0.850 360.0-176.2-106.2 97.0 26.6 9.5 33.7 3 3 A D E -AB 231 241A 23 -2,-0.8 238,-2.2 238,-0.8 2,-0.3 -0.481 16.9-176.3 -94.4 162.3 26.4 6.1 32.1 4 4 A I E +AB 230 240A 14 226,-1.6 226,-2.4 236,-0.2 2,-0.3 -0.963 8.0 169.0-153.8 139.3 28.3 2.8 32.6 5 5 A Y E +AB 229 239A 79 234,-2.5 234,-2.3 -2,-0.3 2,-0.3 -0.936 0.4 165.8-156.9 132.3 28.0 -0.4 30.7 6 6 A F E -AB 228 238A 0 222,-2.2 222,-1.8 -2,-0.3 2,-0.3 -0.978 13.9-164.6-145.9 157.7 30.0 -3.6 30.6 7 7 A N E -AB 227 237A 20 230,-2.0 230,-1.0 -2,-0.3 2,-0.6 -0.932 2.9-169.6-147.0 118.4 29.6 -7.1 29.3 8 8 A F E +A 226 0A 12 218,-3.9 218,-2.5 -2,-0.3 3,-0.2 -0.940 17.1 167.3-114.0 115.0 31.7 -10.1 30.3 9 9 A Q S S+ 0 0 113 -2,-0.6 2,-0.3 1,-0.3 -1,-0.1 0.410 85.3 27.8 -99.3 -0.4 31.3 -13.3 28.3 10 10 A R S S- 0 0 60 216,-0.1 -1,-0.3 -3,-0.1 19,-0.2 -0.889 85.9-134.6-159.3 122.9 34.5 -14.6 30.0 11 11 A F + 0 0 6 17,-2.8 2,-0.3 -2,-0.3 18,-0.0 -0.438 19.9 179.1 -85.3 158.2 35.7 -13.5 33.4 12 12 A N > - 0 0 49 -2,-0.1 3,-0.9 16,-0.0 13,-0.1 -0.963 31.3-128.1-152.8 140.0 39.2 -12.6 34.6 13 13 A E G > S+ 0 0 99 -2,-0.3 3,-1.2 1,-0.2 5,-0.1 0.580 90.4 82.9 -72.5 -8.5 40.2 -11.5 38.1 14 14 A T G 3 S+ 0 0 59 1,-0.3 -1,-0.2 3,-0.1 275,-0.0 0.731 100.7 33.8 -72.2 -19.2 42.0 -8.3 37.2 15 15 A N G < S+ 0 0 11 -3,-0.9 37,-1.8 272,-0.1 2,-0.3 -0.021 109.6 83.7-121.6 30.6 38.8 -6.1 37.0 16 16 A L E < -P 51 0B 16 -3,-1.2 2,-0.7 35,-0.2 35,-0.2 -0.951 68.5-138.2-132.6 148.0 37.0 -8.0 39.8 17 17 A I E -P 50 0B 67 33,-3.0 33,-1.9 -2,-0.3 2,-0.4 -0.945 27.9-163.7-106.2 112.5 37.0 -7.8 43.6 18 18 A L E -P 49 0B 59 -2,-0.7 2,-0.4 31,-0.2 31,-0.2 -0.821 4.5-166.1-101.6 138.9 37.0 -11.4 44.9 19 19 A Q E > -P 48 0B 20 29,-2.8 29,-1.8 -2,-0.4 3,-1.4 -0.986 50.9 -36.9-128.2 132.7 36.0 -12.2 48.5 20 20 A R E 3 S-P 47 0B 153 -2,-0.4 27,-0.2 1,-0.2 13,-0.1 -0.358 127.4 -0.2 61.5-129.0 36.5 -15.5 50.4 21 21 A D T 3 S+ 0 0 30 25,-2.3 -1,-0.2 -2,-0.1 26,-0.2 0.487 98.5 119.6 -73.3 -4.1 36.0 -18.6 48.3 22 22 A A < + 0 0 9 -3,-1.4 2,-0.3 24,-0.3 10,-0.2 -0.315 36.0 154.8 -61.8 145.2 35.2 -16.7 45.0 23 23 A S E -C 31 0A 54 8,-1.6 8,-3.0 10,-0.1 2,-0.6 -0.982 42.6-115.1-166.0 161.2 37.6 -17.4 42.1 24 24 A V E -C 30 0A 20 -2,-0.3 6,-0.2 6,-0.2 -11,-0.1 -0.924 32.5-134.3-111.5 117.1 37.8 -17.4 38.3 25 25 A S > - 0 0 27 4,-2.4 3,-1.8 -2,-0.6 -14,-0.0 -0.103 26.3-107.7 -61.2 164.2 38.4 -20.8 36.7 26 26 A S T 3 S+ 0 0 137 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.778 121.1 61.7 -64.4 -25.0 41.0 -21.2 34.0 27 27 A S T 3 S- 0 0 82 2,-0.1 -1,-0.3 1,-0.0 -2,-0.1 0.311 124.3-102.3 -84.5 8.4 38.0 -21.5 31.6 28 28 A G S < S+ 0 0 8 -3,-1.8 -17,-2.8 1,-0.2 2,-0.4 0.735 73.9 141.0 80.4 23.9 36.9 -18.0 32.5 29 29 A Q - 0 0 62 -19,-0.2 -4,-2.4 -18,-0.0 2,-0.9 -0.808 53.0-128.6-103.1 141.0 34.0 -18.8 34.8 30 30 A L E -CD 24 223A 1 193,-2.1 193,-2.8 -2,-0.4 2,-0.8 -0.771 26.6-168.7 -87.1 106.7 33.2 -16.9 38.0 31 31 A R E -CD 23 222A 61 -8,-3.0 -8,-1.6 -2,-0.9 191,-0.2 -0.855 8.6-174.6-102.2 103.4 32.9 -19.6 40.6 32 32 A L + 0 0 0 189,-2.2 2,-0.3 -2,-0.8 177,-0.2 0.790 65.8 45.6 -68.0 -31.1 31.4 -18.1 43.8 33 33 A T S S- 0 0 4 188,-0.3 188,-0.2 1,-0.1 177,-0.1 -0.883 81.9-111.8-121.6 150.8 31.9 -21.2 46.0 34 34 A N - 0 0 46 -2,-0.3 8,-0.5 1,-0.1 2,-0.2 0.214 20.7-160.5 -60.8-175.0 34.7 -23.7 46.7 35 35 A L - 0 0 57 6,-0.3 2,-0.2 185,-0.1 -1,-0.1 -0.643 4.6-163.3-146.5-160.6 35.1 -27.4 45.9 36 36 A N - 0 0 90 1,-0.4 3,-0.1 -2,-0.2 6,-0.0 -0.813 47.8 -17.9-166.8-154.1 37.4 -30.1 47.2 37 37 A G S > S+ 0 0 41 -2,-0.2 2,-6.1 1,-0.2 3,-1.6 -0.012 126.9 18.9 -57.1 173.6 38.7 -33.6 46.3 38 38 A N T 3 S- 0 0 154 1,-0.3 -1,-0.2 -3,-0.1 -3,-0.0 -0.051 127.1 -81.6 57.2 -47.6 36.7 -35.5 43.6 39 39 A G T 3 S+ 0 0 43 -2,-6.1 -1,-0.3 1,-0.1 -2,-0.2 0.645 80.4 153.0 118.6 46.3 35.3 -32.1 42.6 40 40 A E < - 0 0 83 -3,-1.6 2,-0.2 1,-0.0 -1,-0.1 -0.783 53.9 -96.1-108.6 147.5 32.5 -31.6 45.1 41 41 A P - 0 0 11 0, 0.0 -6,-0.3 0, 0.0 179,-0.1 -0.413 47.7-122.0 -59.9 121.2 30.9 -28.4 46.4 42 42 A R > - 0 0 99 -8,-0.5 3,-0.6 -2,-0.2 2,-0.3 -0.248 25.9-110.1 -62.6 153.3 32.7 -27.7 49.7 43 43 A V T 3 S+ 0 0 58 1,-0.2 170,-0.2 175,-0.1 -1,-0.1 -0.654 96.0 14.0 -87.1 143.8 30.5 -27.4 52.8 44 44 A G T 3 S+ 0 0 20 168,-2.8 -1,-0.2 -2,-0.3 2,-0.2 0.839 87.2 163.4 63.9 35.1 30.0 -24.0 54.4 45 45 A S < - 0 0 0 -3,-0.6 166,-1.7 167,-0.3 2,-0.3 -0.578 16.2-177.2 -87.1 149.1 31.5 -22.1 51.5 46 46 A L E + Q 0 210B 3 164,-0.2 -25,-2.3 -2,-0.2 2,-0.3 -0.961 7.6 164.9-147.4 126.8 30.9 -18.4 51.0 47 47 A G E -PQ 20 209B 0 162,-2.1 162,-1.7 -2,-0.3 2,-0.3 -0.997 10.8-174.8-147.9 140.7 32.1 -16.3 48.1 48 48 A R E -PQ 19 208B 1 -29,-1.8 -29,-2.8 -2,-0.3 2,-0.3 -0.956 2.6-171.6-132.5 151.7 31.4 -12.8 46.7 49 49 A A E +PQ 18 207B 2 158,-2.3 158,-2.5 -2,-0.3 2,-0.3 -0.994 6.1 177.5-144.9 136.8 32.5 -11.0 43.6 50 50 A F E -PQ 17 206B 4 -33,-1.9 -33,-3.0 -2,-0.3 2,-0.3 -0.917 39.3 -95.5-136.3 161.9 32.1 -7.4 42.5 51 51 A Y E -P 16 0B 2 154,-2.1 154,-0.3 -2,-0.3 -35,-0.2 -0.634 39.4-125.4 -75.4 132.9 33.2 -5.1 39.6 52 52 A S S S+ 0 0 26 -37,-1.8 -36,-0.1 -2,-0.3 -1,-0.1 0.527 89.5 71.9 -61.2 -6.5 36.3 -3.3 40.7 53 53 A A S S- 0 0 0 -38,-0.2 152,-0.3 152,-0.1 -2,-0.1 -0.944 85.3-120.1-115.8 129.9 34.8 0.2 39.9 54 54 A P - 0 0 16 0, 0.0 2,-0.4 0, 0.0 150,-0.2 -0.222 22.8-143.3 -61.2 153.3 32.1 1.7 42.1 55 55 A I E -R 203 0B 4 148,-2.7 148,-2.7 -4,-0.1 2,-0.8 -0.951 10.0-131.4-119.1 138.9 28.8 2.6 40.4 56 56 A Q E +R 202 0B 24 -2,-0.4 146,-0.3 146,-0.2 3,-0.1 -0.827 26.1 176.5 -93.3 114.0 26.8 5.7 41.3 57 57 A I - 0 0 0 144,-2.4 9,-3.3 -2,-0.8 2,-0.3 0.721 65.5 -1.3 -89.4 -23.4 23.2 4.6 41.9 58 58 A W B -W 65 0C 30 143,-1.4 2,-0.5 7,-0.3 -1,-0.3 -0.981 60.5-131.3-163.7 155.7 21.9 8.0 42.9 59 59 A D > - 0 0 18 5,-2.5 4,-1.3 -2,-0.3 5,-0.4 -0.950 4.6-162.8-116.0 123.3 22.9 11.6 43.6 60 60 A N T 4 S+ 0 0 109 -2,-0.5 -1,-0.1 1,-0.2 5,-0.0 0.620 90.9 54.7 -79.5 -11.0 21.9 13.4 46.8 61 61 A T T 4 S+ 0 0 123 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.793 121.2 27.6 -89.8 -30.9 22.6 16.9 45.3 62 62 A T T 4 S- 0 0 79 2,-0.1 -2,-0.2 -3,-0.1 -1,-0.1 0.511 99.5-133.0-104.3 -10.5 20.3 16.5 42.2 63 63 A G < + 0 0 48 -4,-1.3 2,-0.2 1,-0.2 -3,-0.2 0.604 57.7 139.0 68.9 12.4 18.0 14.0 43.9 64 64 A T - 0 0 42 -5,-0.4 -5,-2.5 132,-0.0 2,-0.3 -0.563 39.9-151.7 -92.2 153.6 18.1 11.7 40.9 65 65 A V B -W 58 0C 20 -7,-0.2 168,-0.5 -2,-0.2 -7,-0.3 -0.913 20.0-116.3-120.8 149.8 18.3 7.9 40.9 66 66 A A E -E 232 0A 0 -9,-3.3 2,-0.4 -2,-0.3 166,-0.2 -0.508 15.1-139.6 -86.0 151.7 19.8 5.7 38.2 67 67 A S E +E 231 0A 42 164,-2.2 164,-2.5 -2,-0.2 2,-0.3 -0.829 32.0 177.7-102.1 147.3 17.9 3.2 36.1 68 68 A F E -EF 230 167A 12 99,-1.7 99,-3.3 -2,-0.4 2,-0.3 -0.981 22.9-167.9-150.3 164.3 19.7 -0.0 35.5 69 69 A A E -EF 229 166A 35 160,-2.3 160,-2.2 -2,-0.3 2,-0.3 -0.984 8.5-179.2-150.0 142.6 19.5 -3.5 34.0 70 70 A T E -EF 228 165A 2 95,-2.5 95,-2.7 -2,-0.3 2,-0.4 -0.986 4.0-171.1-143.0 149.2 21.7 -6.5 34.4 71 71 A S E +EF 227 164A 47 156,-2.3 156,-2.3 -2,-0.3 2,-0.3 -0.996 12.7 163.3-142.3 140.3 21.6 -9.9 32.8 72 72 A F E -EF 226 163A 2 91,-1.4 91,-3.1 -2,-0.4 2,-0.5 -0.987 29.8-133.7-153.8 159.3 23.7 -13.0 33.7 73 73 A T E +EF 225 162A 22 152,-1.6 151,-3.5 -2,-0.3 152,-0.9 -0.978 28.4 179.3-118.7 123.0 23.7 -16.7 33.2 74 74 A F E -EF 223 161A 2 87,-2.1 87,-2.8 -2,-0.5 2,-0.4 -0.840 16.4-153.6-122.7 161.5 24.4 -18.9 36.1 75 75 A N E -E 222 0A 21 147,-2.6 147,-1.8 -2,-0.3 2,-0.5 -0.954 6.4-170.6-138.9 115.7 24.6 -22.7 36.6 76 76 A I - 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