==== 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 PLANT PROTEIN 17-AUG-98 1BQP . COMPND 2 MOLECULE: PROTEIN (LECTIN); . SOURCE 2 ORGANISM_SCIENTIFIC: PISUM SATIVUM; . AUTHOR S.N.RUZEINIKOV,I.Y.MIKHAILOVA,I.N.TSYGANNIK,W.PANGBORN,W.DUA . 456 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17285.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 327 71.7 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 46.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 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 . 48 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 14 3.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.1 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 2 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 . 3 5 2 2 4 4 8 3 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 1 1 0 0 0 0 0 0 0 1 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 T 0 0 63 0, 0.0 238,-2.1 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 136.7 -5.9 30.0 22.0 2 2 A E E -AB 228 238A 31 226,-2.0 226,-2.5 236,-0.2 2,-0.3 -0.997 360.0-179.5-135.9 128.4 -3.9 27.1 20.7 3 3 A T E -AB 227 237A 21 234,-1.8 234,-1.8 -2,-0.4 2,-0.4 -0.959 11.9-168.9-131.2 149.3 -4.4 23.6 22.1 4 4 A T E +AB 226 236A 5 222,-1.3 222,-2.0 -2,-0.3 2,-0.3 -0.990 17.2 167.4-135.3 129.4 -2.8 20.3 21.3 5 5 A S E +AB 225 235A 15 230,-2.2 230,-2.3 -2,-0.4 2,-0.3 -0.979 5.7 163.9-143.5 151.8 -4.2 17.0 22.5 6 6 A F E -AB 224 234A 5 218,-2.0 218,-2.4 -2,-0.3 2,-0.3 -0.961 14.9-162.6-161.8 158.2 -3.8 13.3 21.9 7 7 A L E +AB 223 233A 53 226,-1.8 226,-1.9 -2,-0.3 2,-0.5 -0.955 6.3 179.5-148.6 126.6 -4.6 10.0 23.5 8 8 A I E +AB 222 232A 0 214,-2.6 214,-2.8 -2,-0.3 224,-0.2 -0.961 4.0 173.8-129.8 105.4 -3.0 6.7 22.7 9 9 A T S S+ 0 0 45 222,-2.4 2,-0.3 -2,-0.5 223,-0.1 0.612 76.1 19.4 -89.4 -12.5 -4.5 4.0 24.8 10 10 A K S S- 0 0 78 221,-0.5 -1,-0.3 212,-0.1 20,-0.2 -0.890 79.7-132.5-158.7 121.6 -2.6 1.2 23.0 11 11 A F B -P 29 0B 4 18,-1.4 18,-2.4 209,-0.4 19,-0.1 -0.328 18.5-150.7 -74.2 156.4 0.5 1.5 20.9 12 12 A S - 0 0 12 16,-0.2 3,-0.2 17,-0.1 16,-0.2 -0.907 29.1-109.0-126.4 155.7 0.7 -0.2 17.5 13 13 A P S S+ 0 0 69 0, 0.0 2,-0.7 0, 0.0 13,-0.3 0.804 117.9 49.4 -51.9 -32.2 3.7 -1.5 15.5 14 14 A D S S+ 0 0 76 13,-0.1 2,-1.1 3,-0.0 3,-0.1 -0.766 70.1 165.9-112.7 82.5 3.3 1.4 13.1 15 15 A Q > + 0 0 5 -2,-0.7 3,-1.1 -3,-0.2 -4,-0.0 -0.729 3.0 170.8-100.3 85.7 3.1 4.4 15.4 16 16 A Q T 3 + 0 0 74 -2,-1.1 -1,-0.2 1,-0.3 264,-0.0 0.594 66.6 67.4 -75.4 -13.1 3.6 7.2 12.9 17 17 A N T 3 S+ 0 0 0 261,-0.1 30,-2.9 -3,-0.1 2,-0.3 0.275 94.7 76.7 -90.3 19.1 2.7 10.1 15.2 18 18 A L E < -Q 46 0C 12 -3,-1.1 2,-0.5 28,-0.3 28,-0.2 -0.923 69.9-143.3-128.6 147.1 5.8 9.3 17.2 19 19 A I E -Q 45 0C 55 26,-2.7 26,-2.4 -2,-0.3 2,-0.3 -0.953 21.0-153.0-109.9 124.9 9.5 10.0 16.6 20 20 A F E +Q 44 0C 69 -2,-0.5 2,-0.3 24,-0.2 24,-0.2 -0.779 15.5 176.5-101.8 145.0 11.9 7.3 17.8 21 21 A Q E > -Q 43 0C 32 22,-2.4 22,-2.8 -2,-0.3 3,-1.6 -0.967 55.7 -1.7-141.4 155.1 15.5 7.7 18.8 22 22 A G E 3 S-Q 42 0C 49 -2,-0.3 20,-0.3 20,-0.2 12,-0.1 -0.410 129.6 -25.4 63.6-139.6 18.0 5.3 20.2 23 23 A D T 3 S+ 0 0 74 18,-3.1 -1,-0.2 10,-0.3 19,-0.2 0.212 97.9 134.2 -90.6 11.2 16.5 1.8 20.7 24 24 A G < + 0 0 10 -3,-1.6 2,-0.3 19,-0.2 9,-0.2 -0.413 22.3 146.6 -66.8 137.3 13.0 3.0 21.1 25 25 A Y E -C 32 0A 88 7,-2.1 7,-3.0 -2,-0.1 2,-0.3 -0.970 36.9-122.5-160.5 162.3 10.3 1.1 19.1 26 26 A T E +C 31 0A 13 -13,-0.3 5,-0.2 -2,-0.3 2,-0.2 -0.806 21.4 179.9-112.7 165.0 6.7 0.1 19.4 27 27 A T - 0 0 58 3,-2.3 2,-0.4 -2,-0.3 -13,-0.1 -0.621 54.3 -53.1-142.7-174.6 5.1 -3.2 19.2 28 28 A K S S- 0 0 111 -2,-0.2 2,-1.2 -16,-0.2 -16,-0.2 -0.676 125.2 -8.0 -73.5 124.0 1.5 -4.4 19.5 29 29 A E B S+P 11 0B 88 -18,-2.4 -18,-1.4 -2,-0.4 2,-0.3 -0.249 124.1 69.0 85.7 -46.0 0.2 -2.8 22.8 30 30 A K - 0 0 62 -2,-1.2 -3,-2.3 -20,-0.2 2,-0.6 -0.791 61.2-143.4-119.7 156.2 3.5 -1.4 24.1 31 31 A L E -CD 26 219A 0 188,-2.9 188,-2.6 -2,-0.3 2,-0.6 -0.939 24.3-154.2-106.5 120.2 6.2 1.2 23.5 32 32 A T E +CD 25 218A 5 -7,-3.0 -7,-2.1 -2,-0.6 186,-0.2 -0.887 21.6 173.3-104.3 119.2 9.7 -0.0 24.4 33 33 A L E S- 0 0 0 184,-2.6 2,-0.3 -2,-0.6 -10,-0.3 0.871 73.4 -0.3 -86.1 -47.8 12.3 2.5 25.3 34 34 A T E - D 0 217A 1 183,-1.4 183,-1.6 175,-0.1 -1,-0.3 -0.985 61.9-136.9-143.0 153.3 15.0 -0.0 26.3 35 35 A K - 0 0 110 -2,-0.3 2,-1.8 181,-0.2 180,-0.4 -0.435 51.2 -85.5 -90.9 177.7 15.5 -3.8 26.4 36 36 A A S S+ 0 0 39 -2,-0.2 2,-0.3 178,-0.1 180,-0.2 -0.537 90.9 117.0 -88.2 69.9 17.2 -5.3 29.5 37 37 A V - 0 0 59 -2,-1.8 3,-0.5 178,-0.4 178,-0.3 -0.952 68.4 -92.8-136.2 154.1 20.7 -4.8 28.0 38 38 A K S S+ 0 0 121 -2,-0.3 174,-0.2 1,-0.2 176,-0.1 -0.203 92.3 2.9 -67.9 157.6 23.6 -2.8 29.1 39 39 A N S S+ 0 0 119 172,-2.1 2,-0.2 174,-0.3 -1,-0.2 0.744 87.6 134.1 35.5 56.4 24.4 0.7 28.0 40 40 A T - 0 0 25 -3,-0.5 170,-2.0 -5,-0.1 58,-0.5 -0.736 35.7-159.5-122.0 173.4 21.5 1.6 25.8 41 41 A V E - R 0 209C 31 -2,-0.2 -18,-3.1 168,-0.2 2,-0.3 -0.973 7.9-177.8-149.1 143.6 19.2 4.6 25.4 42 42 A G E +QR 22 208C 0 166,-1.8 166,-1.3 -2,-0.3 2,-0.3 -0.978 4.7 177.2-146.5 135.3 15.7 4.8 23.8 43 43 A R E -QR 21 207C 1 -22,-2.8 -22,-2.4 -2,-0.3 2,-0.3 -0.956 11.3-167.4-138.8 159.0 13.5 7.8 23.3 44 44 A A E -QR 20 206C 0 162,-1.8 162,-2.3 -2,-0.3 2,-0.3 -0.973 8.9-170.6-146.3 133.2 10.2 8.6 21.8 45 45 A L E -QR 19 205C 3 -26,-2.4 -26,-2.7 -2,-0.3 2,-0.3 -0.901 32.4-107.8-123.2 153.8 8.8 12.0 21.1 46 46 A Y E -Q 18 0C 0 158,-2.5 -28,-0.3 -2,-0.3 158,-0.3 -0.679 35.8-127.3 -77.7 139.3 5.3 13.1 20.0 47 47 A S S S+ 0 0 9 -30,-2.9 -1,-0.1 -2,-0.3 -29,-0.1 0.855 84.6 71.8 -57.9 -43.3 5.7 14.2 16.3 48 48 A S S S- 0 0 0 -31,-0.3 156,-0.3 231,-0.1 199,-0.1 -0.597 83.0-122.4 -84.4 134.7 4.1 17.6 16.5 49 49 A P - 0 0 7 0, 0.0 2,-0.4 0, 0.0 154,-0.2 -0.335 29.0-137.1 -63.4 157.9 5.9 20.5 18.2 50 50 A I E -W 202 0D 0 152,-3.1 152,-2.3 196,-0.0 2,-1.0 -0.964 7.1-129.4-126.7 133.0 3.8 22.0 21.0 51 51 A H E +W 201 0D 5 -2,-0.4 150,-0.2 150,-0.2 -49,-0.1 -0.779 35.5 167.8 -82.9 104.5 3.4 25.7 21.6 52 52 A I - 0 0 0 148,-2.1 9,-3.3 -2,-1.0 2,-0.3 0.772 61.1 -3.2 -91.6 -33.9 4.2 26.0 25.4 53 53 A W B -X 60 0E 38 147,-1.2 2,-0.4 7,-0.3 -1,-0.3 -0.966 62.9-133.6-153.2 164.4 4.6 29.7 25.9 54 54 A D > - 0 0 19 5,-2.2 4,-2.9 -2,-0.3 5,-0.4 -0.974 2.9-156.7-131.4 121.8 4.5 32.9 23.8 55 55 A R T 4 S+ 0 0 102 -2,-0.4 -1,-0.1 1,-0.2 140,-0.0 0.861 94.2 60.0 -60.2 -37.6 6.9 35.7 23.9 56 56 A E T 4 S+ 0 0 108 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 0.935 124.0 16.9 -58.3 -51.8 4.4 38.1 22.4 57 57 A T T 4 S- 0 0 75 2,-0.1 -1,-0.2 -3,-0.1 -2,-0.2 0.633 93.8-132.2 -95.8 -19.0 1.8 37.7 25.2 58 58 A G < + 0 0 23 -4,-2.9 -3,-0.2 1,-0.3 2,-0.1 0.556 56.3 147.7 75.9 6.4 4.1 36.2 27.8 59 59 A N - 0 0 64 -5,-0.4 -5,-2.2 -6,-0.0 2,-0.4 -0.451 34.6-153.4 -74.8 151.1 1.4 33.5 28.4 60 60 A V B -X 53 0E 20 -7,-0.2 169,-0.3 -2,-0.1 -7,-0.3 -0.939 20.3-109.5-124.4 145.8 2.4 30.0 29.4 61 61 A A - 0 0 0 -9,-3.3 2,-0.4 -2,-0.4 167,-0.2 -0.450 14.0-137.9 -79.9 146.1 0.4 26.9 28.7 62 62 A N E +E 227 0A 61 165,-1.9 165,-1.8 -2,-0.2 2,-0.3 -0.824 37.6 173.3 -91.9 136.5 -1.4 24.7 31.3 63 63 A F E -EF 226 166A 7 103,-1.4 103,-2.7 -2,-0.4 2,-0.3 -0.964 23.2-168.2-147.0 160.7 -0.8 21.1 30.4 64 64 A V E -EF 225 165A 55 161,-2.0 161,-1.6 -2,-0.3 2,-0.4 -0.970 5.4-174.4-148.3 136.4 -1.4 17.6 31.7 65 65 A T E -EF 224 164A 0 99,-2.6 99,-2.4 -2,-0.3 2,-0.4 -0.976 1.8-170.5-133.3 145.2 0.0 14.3 30.6 66 66 A S E +EF 223 163A 40 157,-1.9 157,-2.7 -2,-0.4 2,-0.3 -0.992 14.6 157.3-135.1 140.2 -0.9 10.8 31.8 67 67 A F E -EF 222 162A 3 95,-1.6 95,-2.9 -2,-0.4 2,-0.4 -0.963 31.2-137.1-156.5 161.4 1.0 7.6 31.0 68 68 A T E +EF 221 161A 14 153,-1.3 152,-3.2 -2,-0.3 153,-0.9 -0.997 28.5 179.7-126.1 127.4 1.4 4.1 32.4 69 69 A F E -EF 219 160A 2 91,-1.8 91,-2.8 -2,-0.4 2,-0.4 -0.864 15.7-153.3-127.7 164.3 4.8 2.6 32.4 70 70 A V E -E 218 0A 9 148,-2.3 148,-2.2 -2,-0.3 2,-0.5 -0.998 2.1-158.3-137.7 134.5 6.4 -0.6 33.5 71 71 A I E -E 217 0A 3 87,-0.5 86,-3.5 -2,-0.4 2,-0.5 -0.970 11.1-172.1-112.1 128.1 10.0 -1.3 34.6 72 72 A N E -E 216 0A 74 144,-2.3 144,-2.7 -2,-0.5 3,-0.1 -0.907 1.8-173.7-125.5 102.1 11.1 -4.9 34.3 73 73 A A - 0 0 5 -2,-0.5 3,-0.2 142,-0.2 142,-0.2 -0.830 20.4-154.4 -97.5 126.4 14.4 -5.7 35.8 74 74 A P S S+ 0 0 90 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 0.808 99.0 45.1 -67.1 -29.7 15.8 -9.2 35.3 75 75 A N S S- 0 0 71 139,-0.4 3,-0.3 3,-0.3 139,-0.1 -0.911 80.8-161.4-112.3 100.8 17.8 -8.6 38.5 76 76 A S S S+ 0 0 51 -2,-0.7 3,-0.2 1,-0.2 -1,-0.1 0.647 87.7 44.3 -59.7 -13.7 15.3 -7.1 40.9 77 77 A Y S S+ 0 0 185 1,-0.2 2,-0.9 -3,-0.0 -1,-0.2 0.804 107.9 55.6-100.9 -33.9 18.0 -5.7 43.1 78 78 A N S S+ 0 0 72 -3,-0.3 136,-0.6 136,-0.1 2,-0.4 -0.781 74.3 159.5-103.1 90.4 20.4 -4.3 40.6 79 79 A V - 0 0 2 -2,-0.9 2,-0.3 43,-0.3 136,-0.1 -0.932 19.7-146.6-120.0 136.7 18.3 -1.9 38.5 80 80 A A - 0 0 1 -2,-0.4 135,-0.2 43,-0.1 2,-0.1 -0.968 38.0 -23.7-157.2 153.9 19.4 1.1 36.3 81 81 A D - 0 0 7 -2,-0.3 41,-1.2 133,-0.2 42,-0.8 -0.909 64.7-127.5-114.4 -25.5 19.0 3.7 35.2 82 82 A G E -ST 121 209C 0 127,-1.0 127,-1.5 39,-0.2 2,-0.3 -0.778 12.4 -95.1 144.0-179.7 15.5 5.1 35.0 83 83 A F E -ST 120 208C 0 37,-1.9 37,-2.3 -2,-0.2 2,-0.3 -0.914 30.2-169.5-134.7 147.5 12.8 6.7 32.8 84 84 A T E -ST 119 207C 0 123,-2.6 123,-1.7 -2,-0.3 2,-0.5 -0.973 22.3-143.4-141.0 156.4 11.8 10.3 32.3 85 85 A F E -ST 118 206C 4 33,-1.9 33,-2.4 -2,-0.3 2,-0.3 -0.981 39.7-175.6-111.4 129.0 9.1 12.5 30.7 86 86 A F E -ST 117 205C 0 119,-2.9 119,-1.9 -2,-0.5 2,-0.5 -0.927 32.7-152.9-134.7 161.3 10.8 15.5 29.2 87 87 A I E +ST 116 204C 7 29,-2.7 29,-2.1 -2,-0.3 117,-0.2 -0.990 36.7 154.3-128.8 114.1 10.1 18.8 27.5 88 88 A A E - 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