==== 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 LECTIN 27-JAN-93 1RIN . COMPND 2 MOLECULE: PEA LECTIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PISUM SATIVUM; . AUTHOR J.M.RINI,K.D.HARDMAN,H.EINSPAHR,F.L.SUDDATH,J.P.CARVER . 456 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18027.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 334 73.2 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 . 4 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 56 12.3 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 . 16 3.5 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+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 . 4 4 2 2 4 4 7 4 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 . 1 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 60 0, 0.0 237,-2.2 0, 0.0 238,-0.5 0.000 360.0 360.0 360.0 123.5 52.8 8.5 49.6 2 2 A E E -AB 227 237A 14 225,-2.3 225,-2.7 235,-0.2 2,-0.4 -0.994 360.0-171.3-145.6 132.3 51.5 6.6 46.7 3 3 A T E -AB 226 236A 21 233,-2.0 233,-1.7 -2,-0.4 2,-0.4 -0.959 4.7-176.1-127.8 140.6 51.5 7.4 43.0 4 4 A T E +AB 225 235A 4 221,-1.9 221,-2.7 -2,-0.4 2,-0.3 -0.993 17.7 156.5-132.6 141.6 49.9 5.8 40.1 5 5 A S E +AB 224 234A 17 229,-1.8 229,-2.1 -2,-0.4 2,-0.3 -0.991 9.9 167.3-157.8 153.3 50.5 6.9 36.6 6 6 A F E -AB 223 233A 4 217,-2.0 217,-2.2 -2,-0.3 2,-0.4 -0.970 14.8-155.4-161.6 157.7 50.3 5.7 33.0 7 7 A L E +AB 222 232A 54 225,-1.9 225,-2.2 -2,-0.3 2,-0.5 -0.979 9.4 177.6-140.5 128.1 50.3 7.0 29.5 8 8 A I E +AB 221 231A 0 213,-2.7 213,-2.4 -2,-0.4 223,-0.2 -0.908 2.7 174.5-126.3 101.3 48.9 5.4 26.3 9 9 A T S S+ 0 0 55 221,-2.5 2,-0.3 -2,-0.5 222,-0.1 0.649 76.7 18.5 -81.7 -18.8 49.4 7.6 23.2 10 10 A K S S- 0 0 131 220,-0.3 -1,-0.3 211,-0.1 2,-0.2 -0.924 82.5-125.7-148.4 130.3 48.0 5.0 20.8 11 11 A F B -P 29 0B 5 18,-2.0 18,-1.4 208,-0.4 4,-0.0 -0.537 23.0-147.3 -80.2 146.1 45.9 2.0 21.6 12 12 A S > - 0 0 26 -2,-0.2 3,-0.5 16,-0.2 16,-0.1 -0.625 25.8-114.8-107.1 161.1 47.0 -1.4 20.5 13 13 A P T 3 S+ 0 0 86 0, 0.0 2,-0.5 0, 0.0 13,-0.3 0.847 118.3 46.3 -63.8 -24.4 44.9 -4.6 19.4 14 14 A D T 3 + 0 0 82 13,-0.1 2,-1.6 1,-0.0 3,-0.1 -0.627 69.5 162.0-118.2 72.2 46.4 -6.2 22.6 15 15 A Q X + 0 0 4 -3,-0.5 3,-1.3 -2,-0.5 -4,-0.0 -0.617 6.2 169.1 -92.5 78.3 45.9 -3.6 25.2 16 16 A Q T 3 + 0 0 63 -2,-1.6 -1,-0.2 1,-0.3 263,-0.0 0.463 64.7 68.1 -76.0 -3.8 46.3 -5.9 28.2 17 17 A N T 3 S+ 0 0 3 260,-0.1 30,-3.0 -3,-0.1 31,-0.3 0.409 93.5 76.3 -91.1 3.6 46.5 -3.2 30.9 18 18 A L E < S-Q 46 0C 11 -3,-1.3 2,-0.5 28,-0.2 28,-0.2 -0.761 72.1-142.0-106.7 156.8 42.9 -2.4 30.2 19 19 A I E -Q 45 0C 52 26,-2.6 26,-2.6 -2,-0.3 2,-0.3 -0.973 19.6-151.6-116.5 115.0 39.7 -4.2 31.3 20 20 A F E -Q 44 0C 69 -2,-0.5 2,-0.3 24,-0.2 24,-0.2 -0.693 14.4-178.9 -92.6 142.1 36.9 -4.2 28.7 21 21 A Q E > -Q 43 0C 33 22,-2.8 22,-2.9 -2,-0.3 3,-1.6 -0.985 56.9 -8.5-132.8 146.8 33.2 -4.5 29.5 22 22 A G E 3 S-Q 42 0C 52 -2,-0.3 20,-0.3 1,-0.2 12,-0.1 -0.455 129.5 -24.3 70.2-132.2 30.3 -4.6 27.2 23 23 A D T 3 S+ 0 0 91 18,-3.0 -1,-0.2 10,-0.3 19,-0.2 0.301 97.6 132.6 -97.2 9.1 31.3 -3.9 23.6 24 24 A G < + 0 0 8 -3,-1.6 2,-0.3 19,-0.2 9,-0.2 -0.337 26.5 151.1 -61.1 134.2 34.4 -2.0 24.5 25 25 A Y E -C 32 0A 96 7,-2.4 7,-2.6 -5,-0.1 2,-0.4 -0.978 38.7-123.1-159.5 156.8 37.4 -3.1 22.5 26 26 A T E +C 31 0A 14 -2,-0.3 5,-0.2 -13,-0.3 2,-0.2 -0.835 27.0 178.5-102.3 144.3 40.7 -1.8 21.2 27 27 A T - 0 0 35 3,-2.9 2,-0.5 -2,-0.4 -13,-0.1 -0.479 52.8 -51.2-120.7-166.3 41.7 -1.8 17.6 28 28 A K S S- 0 0 138 -2,-0.2 2,-1.8 1,-0.1 -16,-0.2 -0.698 125.5 -13.9 -66.4 122.9 44.7 -0.6 15.7 29 29 A E B S+P 11 0B 116 -18,-1.4 -18,-2.0 -2,-0.5 2,-0.2 -0.364 124.1 71.3 81.7 -55.7 44.9 3.0 16.9 30 30 A K - 0 0 69 -2,-1.8 -3,-2.9 -20,-0.1 2,-0.7 -0.588 64.3-140.7-102.4 150.0 41.5 3.5 18.6 31 31 A L E -CD 26 218A 0 187,-2.4 187,-2.2 -2,-0.2 2,-0.5 -0.925 29.8-157.2 -97.1 111.8 39.7 2.4 21.7 32 32 A T E +CD 25 217A 7 -7,-2.6 -7,-2.4 -2,-0.7 185,-0.2 -0.799 22.9 171.1 -94.0 121.4 36.1 1.8 20.5 33 33 A L E S+ 0 0 0 183,-2.7 2,-0.4 -2,-0.5 -10,-0.3 0.832 72.2 6.4 -95.3 -48.1 33.4 1.9 23.2 34 34 A T E - D 0 216A 0 182,-1.3 182,-1.5 8,-0.1 -1,-0.4 -0.997 63.6-142.8-133.2 139.3 30.3 1.8 21.0 35 35 A K - 0 0 124 -2,-0.4 2,-1.9 180,-0.2 179,-0.4 -0.404 52.7 -83.6 -75.6 175.8 29.9 1.3 17.2 36 36 A A S S+ 0 0 37 177,-0.1 2,-0.3 -2,-0.1 179,-0.2 -0.582 90.6 118.2 -88.5 80.0 27.1 3.4 15.7 37 37 A V - 0 0 65 -2,-1.9 3,-0.4 177,-0.4 177,-0.3 -0.936 66.4 -84.1-138.1 163.8 24.3 1.0 16.6 38 38 A K S S- 0 0 119 -2,-0.3 173,-0.2 1,-0.2 175,-0.1 -0.352 94.3 -3.7 -72.5 147.3 21.1 0.9 18.7 39 39 A N S S+ 0 0 114 171,-2.9 2,-0.3 173,-0.2 171,-0.2 0.826 90.4 145.7 39.2 61.4 20.9 0.2 22.5 40 40 A T - 0 0 16 -3,-0.4 169,-2.2 169,-0.1 2,-0.3 -0.802 33.0-161.7-127.1 154.8 24.5 -0.6 23.2 41 41 A V E + R 0 208C 37 -2,-0.3 -18,-3.0 167,-0.2 2,-0.4 -0.999 8.0 176.6-135.8 144.5 27.1 -0.2 26.0 42 42 A G E +QR 22 207C 0 165,-2.0 165,-1.9 -2,-0.3 2,-0.3 -0.992 3.3 175.7-146.0 134.4 30.9 -0.3 26.1 43 43 A R E -QR 21 206C 1 -22,-2.9 -22,-2.8 -2,-0.4 2,-0.3 -0.977 9.0-168.8-138.0 148.6 33.2 0.3 29.0 44 44 A A E -QR 20 205C 0 161,-1.7 161,-2.2 -2,-0.3 2,-0.3 -0.976 10.2-168.4-141.5 131.5 37.0 0.1 29.4 45 45 A L E -QR 19 204C 3 -26,-2.6 -26,-2.6 -2,-0.3 2,-0.3 -0.894 29.7-111.6-121.3 141.9 38.8 0.3 32.7 46 46 A Y E -Q 18 0C 0 157,-2.1 157,-0.3 -2,-0.3 -28,-0.2 -0.637 34.9-132.2 -69.9 130.2 42.5 0.6 33.8 47 47 A S S S+ 0 0 11 -30,-3.0 -1,-0.1 -2,-0.3 -29,-0.1 0.758 80.6 78.6 -59.3 -28.5 43.4 -2.8 35.3 48 48 A S S S- 0 0 0 -31,-0.3 155,-0.3 230,-0.1 198,-0.1 -0.695 82.4-121.4 -89.6 130.4 45.1 -1.5 38.5 49 49 A P - 0 0 5 0, 0.0 2,-0.4 0, 0.0 153,-0.2 -0.451 27.3-139.6 -61.8 141.4 43.1 -0.3 41.5 50 50 A I E -S 201 0C 0 151,-2.9 151,-2.2 -2,-0.1 2,-1.4 -0.860 7.1-133.8-105.5 134.6 43.9 3.4 42.4 51 51 A H E +S 200 0C 4 -2,-0.4 149,-0.3 149,-0.2 148,-0.1 -0.707 33.1 170.3 -86.6 94.6 44.2 4.5 46.1 52 52 A I + 0 0 1 147,-1.4 9,-2.9 -2,-1.4 2,-0.3 0.795 60.4 0.1 -81.2 -28.0 42.2 7.7 45.9 53 53 A W B -X 60 0D 48 146,-1.2 2,-0.4 7,-0.2 7,-0.2 -0.984 67.5-123.9-152.3 168.2 42.0 8.5 49.6 54 54 A D > - 0 0 16 5,-3.0 4,-1.6 -2,-0.3 5,-0.2 -0.939 3.3-154.5-126.2 139.1 43.1 7.2 53.1 55 55 A R T 4 S+ 0 0 93 -2,-0.4 3,-0.3 2,-0.2 -1,-0.2 0.991 92.3 46.7 -64.9 -63.8 41.5 6.2 56.3 56 56 A E T 4 S+ 0 0 121 1,-0.3 -1,-0.2 2,-0.1 -2,-0.0 0.824 128.7 26.0 -55.9 -37.3 44.3 6.7 59.0 57 57 A T T 4 S- 0 0 84 2,-0.1 -1,-0.3 171,-0.1 -2,-0.2 0.714 93.4-132.7 -92.6 -25.4 45.2 10.1 57.7 58 58 A G < + 0 0 20 -4,-1.6 -3,-0.2 -3,-0.3 -2,-0.1 0.585 53.1 161.1 74.5 10.9 42.0 11.2 56.1 59 59 A N - 0 0 53 -5,-0.2 -5,-3.0 169,-0.1 2,-0.4 -0.301 25.9-155.9 -68.5 144.5 44.3 12.2 53.2 60 60 A V B -X 53 0D 23 -7,-0.2 -7,-0.2 -3,-0.1 168,-0.2 -0.939 15.2-115.8-125.2 145.1 42.8 12.6 49.7 61 61 A A - 0 0 0 -9,-2.9 2,-0.5 -2,-0.4 166,-0.2 -0.440 9.2-141.9 -82.4 152.4 44.6 12.4 46.4 62 62 A N E +E 226 0A 72 164,-1.6 164,-2.1 105,-0.1 2,-0.3 -0.936 34.0 171.0 -98.8 131.3 45.2 15.0 43.8 63 63 A F E -EF 225 166A 8 103,-1.5 103,-2.9 -2,-0.5 2,-0.3 -0.957 20.9-167.3-139.8 164.4 44.8 13.5 40.2 64 64 A V E -EF 224 165A 57 160,-1.9 160,-1.8 -2,-0.3 2,-0.4 -0.993 6.4-176.6-149.8 138.2 44.7 14.6 36.6 65 65 A T E -EF 223 164A 0 99,-2.9 99,-2.8 -2,-0.3 2,-0.4 -0.992 3.7-167.5-136.7 148.0 43.7 12.8 33.4 66 66 A S E +EF 222 163A 38 156,-2.0 156,-2.1 -2,-0.4 2,-0.3 -0.997 11.8 165.4-137.9 139.1 43.7 13.7 29.8 67 67 A F E -EF 221 162A 3 95,-1.5 95,-3.0 -2,-0.4 2,-0.5 -0.997 28.7-137.7-151.6 151.8 42.1 12.1 26.8 68 68 A T E +EF 220 161A 17 152,-1.2 151,-3.1 -2,-0.3 152,-0.8 -0.944 31.2 177.2-104.2 129.6 41.2 12.7 23.2 69 69 A F E -EF 218 160A 2 91,-2.1 91,-2.5 -2,-0.5 2,-0.4 -0.932 18.5-154.9-132.3 162.7 37.8 11.4 22.0 70 70 A V E -EF 217 159A 5 147,-2.5 147,-2.1 -2,-0.3 2,-0.4 -0.999 2.8-160.9-130.7 127.1 35.7 11.4 18.9 71 71 A I E -E 216 0A 4 87,-0.6 86,-2.6 -2,-0.4 2,-0.4 -0.938 10.5-170.8-104.2 140.0 31.9 11.1 18.7 72 72 A N E -E 215 0A 67 143,-2.4 143,-2.7 -2,-0.4 3,-0.1 -0.862 5.4-179.5-133.2 94.5 30.7 10.0 15.2 73 73 A A - 0 0 4 -2,-0.4 141,-0.2 141,-0.3 3,-0.1 -0.865 22.4-150.9 -97.2 125.6 26.9 10.2 14.6 74 74 A P S S+ 0 0 99 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.864 98.7 42.6 -63.0 -32.6 25.6 9.0 11.1 75 75 A N S > S- 0 0 82 3,-0.3 3,-0.8 138,-0.3 138,-0.1 -0.915 78.2-158.4-110.0 108.8 22.8 11.5 11.6 76 76 A S T 3 S+ 0 0 59 -2,-0.6 3,-0.2 1,-0.2 -1,-0.1 0.512 91.1 52.0 -66.3 1.9 24.1 14.7 13.1 77 77 A Y T 3 S+ 0 0 188 1,-0.2 2,-0.7 -3,-0.0 -1,-0.2 0.654 104.6 53.7-107.9 -22.2 20.6 15.5 14.4 78 78 A N S < S+ 0 0 69 -3,-0.8 135,-0.7 135,-0.1 2,-0.5 -0.727 73.8 155.9-117.2 80.7 19.8 12.2 16.2 79 79 A V - 0 0 3 -2,-0.7 2,-0.3 43,-0.3 135,-0.1 -0.931 21.0-161.6-115.0 120.5 22.8 11.9 18.5 80 80 A A - 0 0 0 -2,-0.5 2,-0.2 43,-0.1 134,-0.1 -0.970 32.6 -13.0-153.3 162.0 22.6 9.8 21.7 81 81 A D - 0 0 7 -2,-0.3 41,-1.6 132,-0.2 42,-0.9 -0.841 65.7-142.7-102.9 -32.7 23.6 8.9 24.4 82 82 A G E -TU 121 208C 0 126,-1.3 126,-1.7 -2,-0.2 2,-0.3 -0.862 10.3 -82.2 143.1-169.5 27.0 10.1 25.4 83 83 A F E -TU 120 207C 0 37,-2.0 37,-2.4 -2,-0.3 2,-0.3 -0.945 27.7-170.5-138.8 144.1 30.3 9.4 27.1 84 84 A T E -TU 119 206C 0 122,-2.7 122,-1.9 -2,-0.3 2,-0.5 -0.973 21.5-147.9-134.5 154.8 31.8 9.5 30.6 85 85 A F E -TU 118 205C 3 33,-1.6 33,-2.6 -2,-0.3 2,-0.3 -0.989 40.8-173.7-104.1 128.2 35.1 9.3 32.5 86 86 A F E -TU 117 204C 0 118,-3.0 118,-2.3 -2,-0.5 2,-0.4 -0.891 34.2-151.9-134.3 162.3 34.3 7.7 35.9 87 87 A I E +TU 116 203C 4 29,-2.1 29,-1.9 -2,-0.3 116,-0.2 -1.000 38.7 152.3-124.5 113.5 35.6 6.7 39.2 88 88 A A E - 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