==== 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-JUL-05 2BWR . COMPND 2 MOLECULE: PSATHYRELLA VELUTINA LECTIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PSATHYRELLA VELUTINA; . AUTHOR G.CIOCI,E.P.MITCHELL,V.CHAZALET,C.GAUTIER,S.OSCARSON, . 802 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28722.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 482 60.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 266 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 . 12 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 23 2.9 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 . 87 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 15 1.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 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 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 . 15 0 14 16 14 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 0 12 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 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 32 0, 0.0 14,-0.4 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0-133.2 12.3 -13.5 2.0 2 2 A V - 0 0 41 12,-0.1 2,-0.6 1,-0.1 231,-0.1 -0.567 360.0 -80.6-124.8 161.5 9.4 -14.5 4.3 3 3 A V + 0 0 74 -2,-0.2 174,-0.5 9,-0.1 2,-0.4 -0.499 49.5 163.6 -73.1 113.1 8.6 -15.7 7.9 4 4 A V E -A 176 0A 29 -2,-0.6 2,-0.5 172,-0.1 172,-0.2 -0.992 20.6-158.9-124.6 136.2 9.4 -19.3 8.6 5 5 A I E +A 175 0A 4 170,-2.6 170,-2.4 -2,-0.4 2,-0.3 -0.972 19.5 171.3-113.2 124.0 9.7 -20.8 12.1 6 6 A S E -A 174 0A 16 3,-1.7 168,-0.1 -2,-0.5 224,-0.0 -0.795 47.0-111.6-128.4 166.5 11.6 -24.0 12.4 7 7 A Q S S+ 0 0 59 166,-0.5 -1,-0.1 -2,-0.3 111,-0.1 0.905 121.0 45.6 -63.5 -38.9 12.9 -26.2 15.2 8 8 A A S S+ 0 0 89 1,-0.3 -1,-0.2 2,-0.1 -3,-0.0 0.831 128.7 25.5 -70.3 -35.3 16.5 -25.3 14.2 9 9 A L + 0 0 93 1,-0.1 -3,-1.7 386,-0.0 -1,-0.3 -0.719 66.7 161.1-135.0 76.1 15.7 -21.6 13.9 10 10 A P + 0 0 19 0, 0.0 110,-0.4 0, 0.0 -1,-0.1 0.589 66.4 66.5 -77.3 -7.3 12.8 -20.7 16.1 11 11 A V S S- 0 0 13 385,-0.1 385,-0.2 108,-0.1 53,-0.1 -0.905 80.3-151.1-113.7 97.7 13.5 -17.0 16.0 12 12 A P - 0 0 50 0, 0.0 386,-0.4 0, 0.0 2,-0.3 -0.360 5.1-148.0 -66.0 152.1 13.1 -15.6 12.5 13 13 A T - 0 0 41 384,-0.1 2,-0.2 -2,-0.0 4,-0.0 -0.850 19.5-108.2-121.2 154.2 15.1 -12.7 11.3 14 14 A R - 0 0 88 -2,-0.3 329,-0.4 329,-0.1 5,-0.2 -0.528 20.9-126.2 -87.4 150.7 14.0 -10.1 8.8 15 15 A I S S+ 0 0 21 -14,-0.4 2,-0.1 1,-0.3 477,-0.1 -0.968 102.3 29.8-135.2 112.7 15.1 -9.5 5.3 16 16 A P S S+ 0 0 37 0, 0.0 -1,-0.3 0, 0.0 2,-0.3 0.572 104.1 117.2 -72.0 161.7 16.1 -6.7 4.9 17 17 A G - 0 0 8 -2,-0.1 329,-2.0 2,-0.1 2,-0.4 -0.985 63.7-122.5-177.9 169.4 17.3 -6.0 8.3 18 18 A V - 0 0 7 -2,-0.3 16,-0.3 382,-0.2 326,-0.3 -0.786 43.2-155.6-122.5 81.8 20.1 -5.2 10.8 19 19 A A - 0 0 1 324,-2.4 379,-0.2 -2,-0.4 2,-0.1 -0.295 1.6-143.3 -71.4 145.2 19.9 -8.1 13.2 20 20 A D E -E 397 0B 1 377,-2.6 377,-2.5 380,-0.1 2,-0.4 -0.415 16.5-118.6 -89.7 168.0 21.2 -7.9 16.7 21 21 A L E -EF 396 32B 1 11,-2.5 11,-2.8 375,-0.2 2,-0.4 -0.946 27.0-169.4-112.2 134.3 22.9 -10.6 18.6 22 22 A V E -EF 395 31B 1 373,-2.7 373,-2.3 -2,-0.4 2,-0.4 -0.993 1.0-168.6-124.9 135.1 21.3 -12.0 21.8 23 23 A G E -EF 394 30B 0 7,-3.0 7,-2.5 -2,-0.4 2,-1.0 -0.982 17.1-157.7-127.8 125.8 23.0 -14.4 24.3 24 24 A F E +EF 393 29B 0 369,-3.4 369,-1.5 -2,-0.4 5,-0.2 -0.862 40.0 170.5 -94.3 94.2 21.4 -16.2 27.2 25 25 A G E > - F 0 28B 0 3,-2.4 24,-1.1 -2,-1.0 3,-0.8 -0.175 49.9 -81.5 -97.2-169.1 24.5 -16.7 29.2 26 26 A N T 3 S+ 0 0 63 360,-0.3 25,-2.3 1,-0.2 24,-1.9 0.888 127.3 39.5 -58.1 -42.4 25.4 -17.9 32.6 27 27 A G T 3 S- 0 0 18 23,-0.2 2,-0.3 1,-0.2 -1,-0.2 0.330 123.7 -84.1 -95.1 -0.3 24.6 -14.6 34.3 28 28 A G E < S-F 25 0B 0 -3,-0.8 -3,-2.4 17,-0.2 2,-0.4 -0.967 73.6 -16.0 133.6-150.4 21.5 -13.7 32.3 29 29 A V E -FG 24 44B 1 15,-2.5 14,-2.8 -2,-0.3 15,-1.4 -0.859 52.9-179.3-105.1 132.6 20.6 -12.0 29.0 30 30 A Y E -FG 23 42B 51 -7,-2.5 -7,-3.0 -2,-0.4 2,-0.4 -0.961 7.4-159.1-128.6 143.4 23.1 -10.0 27.1 31 31 A I E -FG 22 41B 2 10,-2.7 10,-2.4 -2,-0.4 2,-0.5 -0.935 16.0-157.6-125.5 150.2 22.7 -8.1 23.8 32 32 A I E -F 21 0B 1 -11,-2.8 -11,-2.5 -2,-0.4 2,-0.3 -0.944 26.9-147.4-117.6 102.3 25.0 -6.8 21.0 33 33 A R - 0 0 27 -2,-0.5 2,-0.9 6,-0.4 6,-0.3 -0.528 19.0-117.4 -70.7 135.0 23.0 -4.1 19.4 34 34 A N S S+ 0 0 3 -16,-0.3 2,-0.3 -2,-0.3 -1,-0.1 -0.613 72.6 105.0 -78.6 105.1 23.7 -3.8 15.6 35 35 A S S S- 0 0 2 -2,-0.9 712,-0.1 402,-0.1 402,-0.1 -0.954 89.2 -74.8-165.9 175.8 25.1 -0.3 15.5 36 36 A L S S+ 0 0 8 710,-0.7 2,-0.6 -2,-0.3 711,-0.1 0.703 117.6 65.1 -60.1 -24.3 28.2 1.8 15.1 37 37 A L S S- 0 0 31 709,-0.4 2,-0.7 -4,-0.1 -4,-0.1 -0.933 73.1-163.3-103.4 114.5 29.1 0.9 18.8 38 38 A I + 0 0 51 -2,-0.6 2,-0.3 339,-0.1 -4,-0.1 -0.879 34.8 127.2-101.0 115.5 29.8 -2.8 19.1 39 39 A Q - 0 0 88 -2,-0.7 2,-0.5 -6,-0.3 -6,-0.4 -0.966 57.7-106.1-160.3 159.9 29.6 -3.8 22.8 40 40 A V - 0 0 36 -2,-0.3 2,-0.4 -8,-0.1 -8,-0.2 -0.843 31.4-169.2 -96.8 132.4 27.9 -6.3 25.1 41 41 A V E -G 31 0B 44 -10,-2.4 -10,-2.7 -2,-0.5 2,-0.5 -0.989 17.4-139.2-122.8 125.0 25.1 -5.0 27.3 42 42 A K E +G 30 0B 92 -2,-0.4 -12,-0.3 -12,-0.2 3,-0.1 -0.726 30.0 167.2 -79.8 124.4 23.6 -7.1 30.2 43 43 A V E + 0 0 17 -14,-2.8 50,-0.6 -2,-0.5 2,-0.3 0.672 56.1 30.1-114.4 -26.6 19.9 -6.5 30.1 44 44 A I E -G 29 0B 0 -15,-1.4 -15,-2.5 2,-0.1 2,-1.3 -0.979 54.8-149.2-141.1 130.1 18.2 -9.1 32.4 45 45 A N S S+ 0 0 95 -2,-0.3 2,-0.3 -17,-0.2 -17,-0.2 -0.379 83.3 57.7 -89.0 56.2 19.4 -10.8 35.5 46 46 A N + 0 0 40 -2,-1.3 6,-0.2 50,-0.0 -17,-0.2 -0.911 68.2 65.5-167.2 177.6 17.4 -13.9 34.6 47 47 A F S S+ 0 0 0 -2,-0.3 2,-0.2 1,-0.2 5,-0.2 0.630 84.2 118.5 64.6 19.9 16.9 -16.4 31.8 48 48 A G B >S-h 52 0C 0 3,-2.7 6,-2.4 -22,-0.1 5,-0.6 -0.663 78.6-111.0-116.0 167.1 20.5 -17.6 32.5 49 49 A Y T 5S+ 0 0 59 -24,-1.1 4,-0.3 342,-0.3 -23,-0.2 0.950 119.4 13.7 -63.4 -53.7 22.1 -20.8 33.6 50 50 A D T 5S+ 0 0 108 -24,-1.9 2,-2.0 1,-0.2 -23,-0.2 0.849 121.8 69.0 -87.3 -39.8 23.0 -19.6 37.0 51 51 A A T 5S- 0 0 24 -25,-2.3 -3,-2.7 1,-0.2 -1,-0.2 -0.567 129.5 -8.3 -82.2 76.8 20.9 -16.4 36.9 52 52 A G B 5S-h 48 0C 50 -2,-2.0 -1,-0.2 -6,-0.2 -3,-0.2 0.168 100.4 -98.4 122.8 -17.1 17.5 -18.2 37.1 53 53 A G < + 0 0 31 -5,-0.6 -4,-0.2 -4,-0.3 2,-0.2 0.760 59.9 171.9 82.1 26.1 18.3 -21.9 36.7 54 54 A W - 0 0 12 -6,-2.4 2,-0.4 -28,-0.1 -1,-0.2 -0.487 9.6-171.1 -80.3 138.8 17.5 -22.1 33.0 55 55 A R >> - 0 0 59 -2,-0.2 4,-2.4 1,-0.1 3,-1.4 -0.994 29.3-139.6-134.9 131.3 18.4 -25.3 31.2 56 56 A V T 34 S+ 0 0 62 334,-0.4 -1,-0.1 -2,-0.4 335,-0.1 0.844 106.5 52.5 -55.0 -35.1 18.4 -26.2 27.6 57 57 A E T 34 S+ 0 0 110 1,-0.2 56,-0.5 -3,-0.1 57,-0.3 0.521 122.6 26.1 -86.9 -4.7 17.0 -29.6 28.4 58 58 A K T <4 S+ 0 0 55 -3,-1.4 48,-0.3 1,-0.2 2,-0.3 0.567 118.0 43.8-121.5 -24.1 14.0 -28.3 30.5 59 59 A H < - 0 0 12 -4,-2.4 2,-0.4 46,-0.1 19,-0.2 -0.895 60.0-140.1-132.6 159.1 13.3 -24.8 29.2 60 60 A V E -I 77 0D 28 17,-1.4 17,-3.2 -2,-0.3 2,-0.4 -0.981 13.7-167.8-124.8 134.8 12.8 -22.8 26.0 61 61 A R E +I 76 0D 6 -2,-0.4 2,-0.3 15,-0.2 15,-0.2 -0.992 19.4 156.0-127.6 124.8 14.1 -19.2 25.5 62 62 A L E -I 75 0D 3 13,-2.9 13,-2.5 -2,-0.4 2,-0.4 -0.847 37.0-125.1-138.9 168.6 13.1 -17.1 22.5 63 63 A L E +I 74 0D 9 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.985 40.1 150.0-115.9 136.8 12.6 -13.5 21.3 64 64 A A E -I 73 0D 13 9,-2.0 9,-2.9 -2,-0.4 2,-1.0 -0.966 51.7-107.3-161.7 151.5 9.3 -12.4 19.9 65 65 A D + 0 0 26 -2,-0.3 64,-2.0 7,-0.3 7,-0.2 -0.724 39.4 171.2 -85.3 104.1 7.2 -9.2 19.7 66 66 A T S S+ 0 0 6 -2,-1.0 82,-0.3 62,-0.2 80,-0.2 0.363 71.1 44.3 -94.5 1.8 4.5 -9.8 22.2 67 67 A T S S- 0 0 62 4,-0.4 80,-0.2 60,-0.2 61,-0.2 0.644 101.9-114.6-120.4 -21.9 3.0 -6.3 22.2 68 68 A G S S+ 0 0 35 3,-0.3 60,-0.1 59,-0.3 -3,-0.1 0.371 84.1 110.7 100.9 -2.9 2.7 -5.2 18.6 69 69 A D S S- 0 0 76 2,-0.2 3,-0.1 1,-0.0 59,-0.1 0.299 90.0-112.0 -86.9 13.5 5.2 -2.3 18.7 70 70 A N S S+ 0 0 85 57,-0.3 2,-0.4 1,-0.3 331,-0.2 0.681 81.8 119.9 62.0 25.6 7.8 -4.2 16.5 71 71 A Q - 0 0 43 329,-0.1 2,-0.4 16,-0.1 -4,-0.4 -0.919 64.7-122.9-113.8 136.9 10.2 -4.5 19.4 72 72 A S - 0 0 15 327,-2.2 -7,-0.3 -2,-0.4 2,-0.2 -0.722 23.2-158.0 -87.3 141.3 11.2 -8.0 20.4 73 73 A D E -I 64 0D 1 -9,-2.9 -9,-2.0 -2,-0.4 2,-0.5 -0.642 24.1-108.4-104.1 160.8 10.6 -9.2 23.9 74 74 A V E -IJ 63 85D 1 11,-2.5 11,-2.4 -2,-0.2 2,-0.4 -0.833 36.9-173.2 -94.0 127.0 12.4 -12.0 25.8 75 75 A V E -IJ 62 84D 0 -13,-2.5 -13,-2.9 -2,-0.5 2,-0.4 -0.981 2.6-174.9-124.8 126.0 10.1 -15.0 26.3 76 76 A G E -IJ 61 83D 0 7,-2.9 7,-3.1 -2,-0.4 2,-1.0 -0.990 23.9-148.6-127.8 133.9 11.0 -18.0 28.4 77 77 A F E +IJ 60 82D 0 -17,-3.2 -17,-1.4 -2,-0.4 5,-0.2 -0.858 44.4 175.4 -93.9 95.7 9.1 -21.3 28.9 78 78 A G - 0 0 1 3,-2.3 28,-1.3 -2,-1.0 29,-0.2 0.225 42.6 -68.5 -95.7-152.0 10.4 -21.8 32.5 79 79 A E S S+ 0 0 64 26,-0.2 28,-3.1 1,-0.2 29,-0.1 0.926 125.0 11.1 -75.2 -42.6 9.9 -24.3 35.3 80 80 A N S S- 0 0 102 1,-0.2 2,-0.3 26,-0.2 -1,-0.2 0.319 128.7 -26.0-124.0 2.7 6.4 -23.4 36.3 81 81 A G S S- 0 0 0 21,-0.2 -3,-2.3 23,-0.1 2,-0.5 -0.979 79.2 -55.2 173.9-168.7 5.1 -21.1 33.5 82 82 A V E -JK 77 101D 0 19,-2.9 18,-2.5 -2,-0.3 19,-1.0 -0.796 46.1-164.7 -98.3 129.2 5.8 -18.7 30.7 83 83 A W E -JK 76 99D 86 -7,-3.1 -7,-2.9 -2,-0.5 2,-0.4 -0.932 2.6-166.4-119.4 136.8 7.8 -15.6 31.7 84 84 A I E -JK 75 98D 8 14,-2.5 14,-2.4 -2,-0.4 2,-0.6 -0.982 14.0-167.9-129.1 130.2 8.2 -12.4 29.6 85 85 A S E -J 74 0D 0 -11,-2.4 -11,-2.5 -2,-0.4 2,-0.1 -0.969 27.2-143.5-106.7 111.5 10.6 -9.4 29.8 86 86 A T - 0 0 49 -2,-0.6 8,-2.5 -13,-0.2 2,-0.4 -0.450 18.1-107.2 -79.2 149.4 9.3 -6.7 27.6 87 87 A N B -L 93 0E 9 6,-0.2 6,-0.2 -16,-0.1 -1,-0.1 -0.621 19.2-157.7 -73.7 123.5 11.5 -4.4 25.6 88 88 A N - 0 0 86 4,-2.7 5,-0.1 -2,-0.4 -1,-0.1 0.497 40.5-115.5 -82.1 -7.4 11.6 -0.9 27.0 89 89 A G S S+ 0 0 14 3,-0.5 661,-0.1 1,-0.0 4,-0.1 0.255 99.4 76.4 97.6 -7.2 12.7 0.6 23.6 90 90 A N S S- 0 0 32 2,-0.4 3,-0.1 659,-0.1 329,-0.0 -0.237 121.0 -79.5-132.0 36.2 16.2 1.8 24.7 91 91 A N S S+ 0 0 14 1,-0.3 2,-0.3 308,-0.1 -60,-0.1 0.808 104.9 103.5 63.3 27.2 18.4 -1.3 24.9 92 92 A T - 0 0 54 -48,-0.0 -4,-2.7 0, 0.0 -3,-0.5 -0.959 52.7-160.0-131.5 159.5 16.8 -2.2 28.3 93 93 A F B -L 87 0E 11 -50,-0.6 -6,-0.2 -2,-0.3 2,-0.1 -0.938 33.5 -87.9-135.6 156.7 14.2 -4.8 29.3 94 94 A V - 0 0 55 -8,-2.5 4,-0.1 -2,-0.3 -51,-0.0 -0.385 48.5-139.6 -65.6 140.7 11.9 -5.2 32.2 95 95 A D S S+ 0 0 67 1,-0.2 -10,-0.0 -2,-0.1 3,-0.0 -0.945 80.9 36.7-155.6 122.2 13.5 -7.2 35.0 96 96 A P S S- 0 0 96 0, 0.0 -1,-0.2 0, 0.0 -12,-0.1 0.486 95.3-128.0 -69.2 157.3 12.2 -9.3 36.7 97 97 A P - 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