==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LECTIN 18-OCT-05 2C4D . COMPND 2 MOLECULE: PSATHYRELLA VELUTINA LECTIN PVL; . SOURCE 2 ORGANISM_SCIENTIFIC: PSATHYRELLA VELUTINA; . AUTHOR G.CIOCI,E.P.MITCHELL,V.CHAZALET,C.GAUTIER,S.OSCARSON, . 401 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15217.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 237 59.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 133 33.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 11 2.7 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 . 1 0.2 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 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 3.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 7 1.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.2 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 . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 8 1 6 8 7 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 ANTIPARALLEL BRIDGES PER LADDER . 0 1 6 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 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 34 0, 0.0 176,-0.6 0, 0.0 179,-0.1 0.000 360.0 360.0 360.0 112.4 -34.0 57.9 -2.1 2 2 A V + 0 0 79 174,-0.1 2,-0.3 13,-0.1 231,-0.2 0.415 360.0 118.3 -50.0 -15.4 -31.8 54.8 -2.9 3 3 A V + 0 0 37 179,-0.1 174,-0.5 235,-0.1 2,-0.4 -0.486 40.0 177.9 -69.4 127.0 -34.9 52.7 -1.8 4 4 A V - 0 0 37 -2,-0.3 2,-0.4 172,-0.1 172,-0.2 -0.996 13.3-159.1-130.1 132.3 -36.3 50.5 -4.6 5 5 A I E +A 175 0A 3 170,-2.9 170,-2.2 -2,-0.4 2,-0.3 -0.915 18.8 172.1-113.4 135.1 -39.3 48.1 -4.2 6 6 A S E -A 174 0A 15 3,-1.5 3,-0.2 -2,-0.4 168,-0.2 -0.974 46.3-114.1-140.7 152.5 -39.7 45.2 -6.6 7 7 A Q S S+ 0 0 57 166,-0.9 -1,-0.1 -2,-0.3 167,-0.1 0.937 120.6 44.4 -41.2 -54.2 -41.8 42.1 -7.2 8 8 A A S S+ 0 0 89 1,-0.3 -1,-0.2 2,-0.1 3,-0.1 0.824 129.8 24.1 -65.4 -35.3 -38.7 40.0 -6.8 9 9 A L + 0 0 85 -3,-0.2 -3,-1.5 1,-0.1 -1,-0.3 -0.732 64.3 162.1-139.4 76.6 -37.5 41.9 -3.7 10 10 A P S S+ 0 0 20 0, 0.0 110,-0.4 0, 0.0 -1,-0.1 0.543 70.4 64.0 -76.2 -8.7 -40.4 43.6 -1.9 11 11 A V S S- 0 0 13 -5,-0.1 385,-0.2 -3,-0.1 53,-0.1 -0.874 79.6-157.6-119.0 96.8 -38.4 44.0 1.2 12 12 A P - 0 0 55 0, 0.0 386,-0.4 0, 0.0 2,-0.3 -0.366 4.9-144.3 -73.5 154.6 -35.4 46.3 0.5 13 13 A T - 0 0 42 384,-0.1 2,-0.2 -2,-0.0 384,-0.0 -0.764 20.1-101.4-114.4 159.8 -32.3 46.2 2.6 14 14 A R - 0 0 93 -2,-0.3 329,-0.4 329,-0.1 5,-0.2 -0.584 23.4-129.2 -89.6 147.6 -30.0 49.0 3.7 15 15 A I S S+ 0 0 34 1,-0.2 2,-0.1 -2,-0.2 -13,-0.1 -0.969 103.7 30.6-132.0 109.3 -26.6 49.9 2.3 16 16 A P S S+ 0 0 80 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.628 104.7 123.9 -74.3 158.4 -24.6 50.1 4.6 17 17 A G - 0 0 8 -2,-0.1 329,-1.9 332,-0.1 2,-0.3 -0.974 61.1-133.1-174.4 160.7 -26.2 47.5 6.9 18 18 A V - 0 0 65 -2,-0.3 326,-0.3 327,-0.2 16,-0.3 -0.781 42.3-156.6-125.3 85.3 -26.0 44.4 8.8 19 19 A A - 0 0 1 324,-2.1 379,-0.3 -2,-0.3 2,-0.2 -0.255 2.6-142.6 -74.1 151.3 -29.1 42.6 7.7 20 20 A D E -E 397 0B 4 377,-3.4 377,-2.4 13,-0.1 2,-0.4 -0.448 17.1-115.6 -96.0 175.9 -30.8 40.0 9.6 21 21 A L E -EF 396 32B 8 11,-1.9 11,-2.5 375,-0.2 2,-0.4 -0.955 26.8-167.8-115.9 139.0 -32.5 36.9 8.3 22 22 A V E -EF 395 31B 0 373,-2.8 373,-2.9 -2,-0.4 2,-0.4 -0.991 2.7-170.2-131.4 131.0 -36.2 36.3 8.7 23 23 A G E -EF 394 30B 0 7,-2.5 7,-3.1 -2,-0.4 2,-1.0 -0.978 17.2-158.1-125.7 131.0 -38.2 33.2 8.1 24 24 A F E +EF 393 29B 0 369,-3.3 369,-1.5 -2,-0.4 5,-0.2 -0.859 38.3 171.0-101.2 89.3 -41.9 32.7 8.0 25 25 A G E > - F 0 28B 0 3,-2.1 3,-0.7 -2,-1.0 24,-0.5 -0.201 47.8 -82.3 -95.2-174.1 -41.9 29.0 8.7 26 26 A N T 3 S+ 0 0 45 1,-0.2 24,-2.0 22,-0.2 25,-1.8 0.922 125.4 38.5 -59.2 -49.6 -44.6 26.5 9.5 27 27 A G T 3 S- 0 0 22 23,-0.2 2,-0.3 1,-0.2 -1,-0.2 0.380 125.1 -76.5 -88.5 3.1 -45.0 27.2 13.2 28 28 A G E < S-F 25 0B 0 -3,-0.7 -3,-2.1 17,-0.2 2,-0.4 -0.969 72.6 -20.1 143.5-152.3 -44.5 31.0 13.0 29 29 A V E -FG 24 44B 0 15,-2.6 14,-3.0 -2,-0.3 15,-1.2 -0.801 50.6-175.9-104.7 132.1 -41.9 33.7 12.6 30 30 A Y E -FG 23 42B 52 -7,-3.1 -7,-2.5 -2,-0.4 2,-0.4 -0.928 4.4-161.7-125.9 145.8 -38.2 33.2 13.3 31 31 A I E -FG 22 41B 2 10,-2.4 10,-1.6 -2,-0.3 2,-0.5 -0.963 16.9-157.1-129.2 150.5 -35.3 35.5 13.2 32 32 A I E -F 21 0B 9 -11,-2.5 -11,-1.9 -2,-0.4 2,-0.5 -0.957 25.6-145.9-117.8 106.7 -31.5 35.3 13.0 33 33 A R - 0 0 77 -2,-0.5 2,-0.6 6,-0.5 6,-0.2 -0.618 19.8-120.1 -78.4 121.7 -30.2 38.5 14.5 34 34 A N S S+ 0 0 55 -2,-0.5 2,-0.3 -16,-0.3 4,-0.1 -0.523 72.9 99.5 -65.2 109.9 -27.0 39.6 12.7 35 35 A S S S- 0 0 56 -2,-0.6 0, 0.0 2,-0.1 0, 0.0 -0.940 90.5 -67.0-174.8-179.5 -24.6 39.6 15.6 36 36 A L S S+ 0 0 186 -2,-0.3 2,-0.6 1,-0.1 -2,-0.1 0.680 118.2 61.9 -63.4 -23.4 -21.8 37.6 17.5 37 37 A L S S- 0 0 104 -4,-0.1 2,-0.7 2,-0.1 -4,-0.1 -0.956 72.2-165.2-109.1 119.5 -24.4 35.1 18.5 38 38 A I + 0 0 71 -2,-0.6 2,-0.3 339,-0.1 -4,-0.1 -0.896 32.7 126.7-112.1 106.9 -25.9 33.3 15.6 39 39 A Q - 0 0 95 -2,-0.7 -6,-0.5 -6,-0.2 2,-0.3 -0.962 57.2-105.8-148.6 157.7 -29.1 31.3 16.6 40 40 A V - 0 0 38 -2,-0.3 2,-0.4 -8,-0.1 -8,-0.2 -0.735 33.0-170.7 -85.4 140.9 -32.7 31.0 15.5 41 41 A V E -G 31 0B 44 -10,-1.6 -10,-2.4 -2,-0.3 2,-0.3 -0.988 18.4-139.0-135.7 122.7 -35.4 32.7 17.7 42 42 A K E +G 30 0B 94 -2,-0.4 -12,-0.2 -12,-0.2 3,-0.1 -0.653 30.0 166.7 -78.5 135.5 -39.2 32.2 17.3 43 43 A V E + 0 0 19 -14,-3.0 50,-0.6 1,-0.3 2,-0.4 0.559 57.7 35.9-126.8 -21.5 -40.8 35.5 17.9 44 44 A I E -G 29 0B 0 -15,-1.2 -15,-2.6 2,-0.1 2,-1.7 -0.969 57.6-150.4-141.3 123.0 -44.3 35.2 16.7 45 45 A N S S+ 0 0 92 -2,-0.4 2,-0.3 -17,-0.2 -17,-0.2 -0.525 81.3 57.9 -84.6 69.0 -46.6 32.3 16.9 46 46 A N + 0 0 35 -2,-1.7 6,-0.2 50,-0.1 -2,-0.1 -0.962 62.7 68.9-178.3 175.1 -48.4 33.4 13.8 47 47 A F S S+ 0 0 0 4,-0.5 2,-0.3 -2,-0.3 5,-0.2 0.682 82.4 126.7 65.2 23.5 -47.9 34.2 10.1 48 48 A G S S- 0 0 0 3,-2.0 6,-2.3 -21,-0.1 5,-0.2 -0.793 77.3-117.0-118.4 152.1 -47.2 30.5 9.6 49 49 A Y S S+ 0 0 58 -24,-0.5 -23,-0.1 342,-0.4 -22,-0.1 0.883 124.9 18.6 -43.7 -50.2 -48.5 27.8 7.4 50 50 A D S S+ 0 0 108 -24,-2.0 2,-1.5 3,-0.2 -1,-0.2 0.735 117.7 73.3 -93.8 -28.8 -49.8 26.0 10.5 51 51 A A S S- 0 0 13 -25,-1.8 -3,-2.0 -26,-0.2 -4,-0.5 -0.508 129.4 -16.0 -87.6 72.8 -49.7 29.1 12.7 52 52 A G S S- 0 0 56 -2,-1.5 -1,-0.2 -6,-0.2 -2,-0.1 0.535 103.9 -89.2 109.9 8.5 -52.7 31.0 11.3 53 53 A G - 0 0 34 -5,-0.2 -4,-0.3 -3,-0.2 -3,-0.2 0.795 62.1-178.8 60.2 32.6 -53.2 29.1 8.1 54 54 A W - 0 0 14 -6,-2.3 2,-0.4 -28,-0.2 -1,-0.2 -0.424 5.9-164.8 -73.7 139.1 -50.9 31.3 6.0 55 55 A R >> - 0 0 66 -2,-0.1 4,-2.8 1,-0.1 3,-2.2 -0.977 25.5-146.9-131.8 119.0 -50.6 30.4 2.3 56 56 A V T 34 S+ 0 0 48 334,-0.5 -1,-0.1 -2,-0.4 335,-0.1 0.889 105.0 50.7 -41.6 -46.8 -48.0 31.5 -0.3 57 57 A E T 34 S+ 0 0 101 333,-0.2 56,-0.3 1,-0.2 -1,-0.3 0.334 123.8 26.0 -80.5 4.0 -50.8 31.3 -3.0 58 58 A K T <4 S+ 0 0 47 -3,-2.2 2,-0.3 1,-0.3 48,-0.3 0.524 117.7 44.5-135.3 -23.6 -53.3 33.5 -1.0 59 59 A H < - 0 0 13 -4,-2.8 2,-0.4 46,-0.1 -1,-0.3 -0.880 61.7-137.6-134.8 160.6 -51.4 35.8 1.4 60 60 A V E -H 77 0C 31 17,-1.5 17,-3.5 -2,-0.3 2,-0.4 -0.975 12.4-165.4-127.8 127.6 -48.4 38.1 1.4 61 61 A R E +H 76 0C 5 -2,-0.4 2,-0.2 15,-0.2 15,-0.2 -0.971 21.5 150.4-118.0 128.8 -45.8 38.4 4.2 62 62 A L E -H 75 0C 3 13,-2.8 13,-2.7 -2,-0.4 2,-0.4 -0.819 36.6-122.8-139.3 176.4 -43.3 41.3 4.5 63 63 A L E +H 74 0C 7 -2,-0.2 2,-0.3 11,-0.2 11,-0.2 -0.987 38.2 145.9-128.0 143.1 -41.3 43.4 6.8 64 64 A A E -H 73 0C 14 9,-2.0 9,-2.2 -2,-0.4 2,-1.0 -0.940 53.0-101.3-171.1 147.1 -41.5 47.2 7.1 65 65 A D + 0 0 27 -2,-0.3 64,-1.9 7,-0.3 7,-0.2 -0.652 40.5 168.6 -76.0 104.6 -41.2 50.0 9.6 66 66 A T S S+ 0 0 1 -2,-1.0 82,-0.4 62,-0.2 80,-0.3 0.418 74.4 41.6 -95.1 -2.2 -44.9 50.9 10.2 67 67 A T S S- 0 0 56 4,-0.4 80,-0.2 60,-0.2 61,-0.1 0.622 105.0-114.8-118.8 -31.9 -44.2 53.3 13.2 68 68 A G S S+ 0 0 35 3,-0.3 60,-0.1 59,-0.2 4,-0.1 0.624 81.3 112.8 103.7 21.4 -41.1 55.3 12.2 69 69 A D S S- 0 0 68 2,-0.3 332,-0.1 58,-0.0 3,-0.1 0.230 89.2-108.3-104.8 13.6 -38.5 54.2 14.7 70 70 A N S S+ 0 0 88 57,-0.3 331,-2.7 1,-0.3 2,-0.4 0.706 84.4 120.2 60.1 23.6 -36.2 52.3 12.1 71 71 A Q B -K 400 0D 44 329,-0.2 2,-0.4 330,-0.2 -4,-0.4 -0.944 64.4-124.2-111.8 143.2 -37.3 49.0 13.5 72 72 A S - 0 0 11 327,-1.9 -7,-0.3 -2,-0.4 2,-0.2 -0.716 21.5-157.5 -97.5 131.0 -39.0 46.7 11.2 73 73 A D E -H 64 0C 0 -9,-2.2 -9,-2.0 -2,-0.4 2,-0.4 -0.621 24.0-109.3-104.3 160.1 -42.4 45.2 11.9 74 74 A V E -HI 63 85C 1 11,-2.5 11,-2.2 -2,-0.2 2,-0.4 -0.786 36.3-170.4 -94.2 136.2 -44.0 42.0 10.5 75 75 A V E -HI 62 84C 0 -13,-2.7 -13,-2.8 -2,-0.4 2,-0.4 -0.995 5.4-174.0-132.3 128.2 -46.8 42.7 8.1 76 76 A G E -HI 61 83C 0 7,-2.7 7,-2.7 -2,-0.4 2,-1.1 -0.982 21.6-150.1-129.8 129.1 -49.2 40.1 6.7 77 77 A F E +HI 60 82C 0 -17,-3.5 -17,-1.5 -2,-0.4 5,-0.2 -0.830 43.6 177.5 -95.0 94.9 -51.8 40.5 4.0 78 78 A G - 0 0 0 3,-2.2 28,-1.6 -2,-1.1 29,-0.1 0.266 42.5 -77.8 -87.5-156.4 -54.1 37.8 5.4 79 79 A E S S+ 0 0 66 26,-0.2 28,-3.2 27,-0.2 29,-0.2 0.822 123.6 13.8 -72.9 -42.0 -57.4 36.3 4.6 80 80 A N S S- 0 0 103 1,-0.2 2,-0.3 26,-0.2 -1,-0.1 0.338 128.5 -28.7-121.4 1.4 -59.6 39.0 6.2 81 81 A G S S- 0 0 0 21,-0.2 -3,-2.2 23,-0.1 2,-0.5 -0.990 77.6 -54.5 172.9-169.4 -57.3 42.0 6.7 82 82 A V E -IJ 77 101C 0 19,-1.8 18,-3.2 -2,-0.3 19,-0.7 -0.913 45.5-162.5-108.4 123.3 -53.9 43.3 7.3 83 83 A W E -IJ 76 99C 82 -7,-2.7 -7,-2.7 -2,-0.5 2,-0.4 -0.899 5.7-171.6-114.7 123.3 -52.1 42.0 10.4 84 84 A I E -IJ 75 98C 7 14,-1.9 14,-3.1 -2,-0.5 2,-0.5 -0.941 15.2-169.7-118.5 135.2 -49.2 43.7 11.9 85 85 A S E -I 74 0C 0 -11,-2.2 -11,-2.5 -2,-0.4 10,-0.1 -0.939 28.6-145.8-113.5 101.7 -46.9 42.4 14.7 86 86 A T - 0 0 43 -2,-0.5 8,-2.1 -13,-0.2 2,-0.4 -0.257 19.6-100.8 -71.8 154.9 -44.8 45.5 15.7 87 87 A N B -L 93 0E 10 6,-0.2 6,-0.3 -16,-0.1 -1,-0.1 -0.617 21.6-157.5 -78.0 124.7 -41.2 45.2 16.8 88 88 A N - 0 0 81 4,-3.1 5,-0.1 -2,-0.4 -1,-0.1 0.437 40.4-114.5 -81.7 -2.0 -40.7 45.5 20.6 89 89 A G S S+ 0 0 37 3,-0.4 4,-0.1 1,-0.0 -2,-0.1 0.390 99.1 72.4 93.1 -1.1 -37.0 46.6 20.3 90 90 A N S S- 0 0 91 2,-0.4 3,-0.1 0, 0.0 -1,-0.0 -0.272 122.4 -75.5-145.0 39.4 -35.4 43.6 21.9 91 91 A N S S+ 0 0 53 1,-0.2 2,-0.3 308,-0.0 -60,-0.1 0.772 107.3 100.6 60.8 27.9 -35.7 40.6 19.4 92 92 A T - 0 0 51 -48,-0.0 -4,-3.1 0, 0.0 -2,-0.4 -0.974 55.2-154.4-135.7 157.6 -39.4 40.3 20.3 93 93 A F B -L 87 0E 8 -50,-0.6 -6,-0.2 -2,-0.3 -7,-0.1 -0.977 36.4 -89.3-131.8 140.0 -42.6 41.4 18.6 94 94 A V - 0 0 36 -8,-2.1 4,-0.1 -2,-0.4 -51,-0.0 -0.212 56.1-133.6 -37.4 125.6 -46.1 42.1 19.8 95 95 A D S S+ 0 0 77 1,-0.1 -10,-0.1 2,-0.1 -1,-0.0 -0.956 81.7 33.7-143.1 120.9 -47.9 38.7 19.6 96 96 A P S S- 0 0 88 0, 0.0 -1,-0.1 0, 0.0 -50,-0.1 0.501 96.6-123.8 -78.7 166.4 -50.7 38.2 18.5 97 97 A P - 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