==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 21-MAY-10 2KYB . COMPND 2 MOLECULE: MANNOSYL-GLYCOPROTEIN ENDO-BETA-N-ACETYLGLUCOSAMI . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM PERFRINGENS; . AUTHOR C.K.MOBLEY,H.LEE,D.LEE,C.CICCOSANTI,H.JANJUA,T.B.ACTON,R.XIA . 60 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4609.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 30 50.0 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 . 17 28.3 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 3.3 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 . 2 3.3 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 . 5 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 5 8.3 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+4), 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 . 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 . 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 . 2 3 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 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 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 M 0 0 230 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -48.9 -3.3 14.2 -10.2 2 2 A K - 0 0 200 33,-0.1 2,-0.2 1,-0.1 34,-0.1 -0.436 360.0-151.9 -64.4 124.6 -0.1 12.2 -11.1 3 3 A T - 0 0 45 -2,-0.2 2,-0.3 32,-0.1 32,-0.2 -0.551 9.4-119.6 -96.0 162.7 -0.4 8.7 -9.6 4 4 A G E -A 34 0A 25 30,-1.3 30,-0.9 -2,-0.2 2,-0.5 -0.683 16.8-131.3-101.6 155.9 2.5 6.5 -8.4 5 5 A I E -A 33 0A 119 -2,-0.3 2,-0.2 28,-0.1 28,-0.1 -0.922 21.4-122.6-111.5 128.1 3.4 3.0 -9.7 6 6 A V - 0 0 11 26,-0.9 25,-0.9 -2,-0.5 2,-0.4 -0.466 38.3-100.1 -68.5 132.1 4.0 0.1 -7.3 7 7 A N - 0 0 37 -2,-0.2 2,-3.1 1,-0.2 3,-0.2 -0.346 31.8-132.8 -55.8 109.2 7.5 -1.4 -7.8 8 8 A V + 0 0 100 -2,-0.4 -1,-0.2 1,-0.1 21,-0.0 -0.346 59.5 135.7 -66.4 72.3 6.7 -4.6 -9.9 9 9 A S - 0 0 82 -2,-3.1 -1,-0.1 2,-0.0 3,-0.1 0.782 67.8 -98.7 -85.4-104.6 8.9 -6.8 -7.6 10 10 A S S S+ 0 0 120 1,-0.4 2,-0.3 -3,-0.2 20,-0.1 0.349 91.2 19.5-157.3 -28.0 7.4 -10.2 -6.6 11 11 A S + 0 0 81 18,-0.0 -1,-0.4 2,-0.0 2,-0.3 -0.990 52.8 177.3-153.9 145.3 6.0 -9.8 -3.1 12 12 A L - 0 0 35 -2,-0.3 16,-0.7 16,-0.2 2,-0.4 -0.895 17.7-146.4-155.2 121.5 4.8 -6.9 -0.8 13 13 A N E -B 27 0B 94 -2,-0.3 2,-0.5 14,-0.1 14,-0.1 -0.713 15.0-146.1 -89.2 134.1 3.3 -7.1 2.7 14 14 A V E -B 26 0B 12 12,-1.3 11,-0.9 -2,-0.4 12,-0.7 -0.869 14.1-161.7-103.8 128.4 0.7 -4.4 3.5 15 15 A R B -C 54 0C 64 39,-1.4 39,-1.6 -2,-0.5 9,-0.1 -0.364 25.1-126.9 -97.4 179.8 0.5 -3.1 7.1 16 16 A S S S- 0 0 56 7,-0.4 2,-0.3 3,-0.3 4,-0.1 0.469 86.4 -7.1-104.9 -7.2 -2.3 -1.2 9.0 17 17 A S S S- 0 0 38 2,-0.4 2,-1.9 37,-0.1 -1,-0.2 -0.970 93.8 -66.3-170.7 178.2 0.0 1.6 10.1 18 18 A A S S+ 0 0 39 -2,-0.3 2,-0.4 -3,-0.1 24,-0.2 -0.067 103.5 94.5 -73.0 40.4 3.6 2.9 10.3 19 19 A S > - 0 0 37 -2,-1.9 3,-0.6 1,-0.1 -2,-0.4 -0.999 66.4-150.8-137.5 136.8 4.3 0.0 12.7 20 20 A T G > S+ 0 0 104 -2,-0.4 3,-1.6 1,-0.2 -1,-0.1 0.785 98.1 67.0 -73.7 -28.0 5.7 -3.5 12.0 21 21 A S G 3 S+ 0 0 105 1,-0.3 -1,-0.2 2,-0.1 3,-0.1 0.747 81.1 78.8 -65.3 -21.3 3.8 -4.8 15.0 22 22 A S G < S- 0 0 30 -3,-0.6 -1,-0.3 -5,-0.1 -2,-0.2 0.804 88.7-161.9 -55.5 -29.4 0.6 -4.1 13.0 23 23 A K < - 0 0 147 -3,-1.6 -7,-0.4 -4,-0.2 -1,-0.1 -0.068 30.7 -41.3 71.1-177.2 1.4 -7.3 11.1 24 24 A V + 0 0 71 1,-0.1 -9,-0.2 -9,-0.1 3,-0.1 -0.359 49.4 164.9 -79.6 161.1 -0.0 -8.2 7.7 25 25 A I - 0 0 104 -11,-0.9 2,-0.3 1,-0.5 -1,-0.1 0.397 65.0 -8.8-148.8 -22.4 -3.7 -7.7 6.7 26 26 A G E -B 14 0B 35 -12,-0.7 -12,-1.3 2,-0.0 -1,-0.5 -0.971 59.8-115.6-173.5 164.6 -3.8 -8.0 2.9 27 27 A S E -B 13 0B 109 -2,-0.3 2,-0.3 -14,-0.1 -14,-0.1 -0.948 23.7-151.7-118.6 133.1 -1.7 -8.4 -0.2 28 28 A L - 0 0 43 -16,-0.7 2,-0.3 -2,-0.4 -16,-0.2 -0.680 18.0-117.5-101.6 155.5 -1.6 -5.8 -3.0 29 29 A S > - 0 0 76 -2,-0.3 3,-0.8 1,-0.1 -23,-0.1 -0.705 28.5-116.1 -93.2 143.1 -0.9 -6.5 -6.7 30 30 A G T 3 S+ 0 0 43 -2,-0.3 -23,-0.1 1,-0.2 3,-0.1 -0.368 97.1 30.0 -74.8 155.7 2.1 -5.0 -8.5 31 31 A N T 3 S+ 0 0 117 -25,-0.9 2,-0.3 1,-0.3 -1,-0.2 0.682 88.9 146.6 69.7 16.8 1.7 -2.5 -11.3 32 32 A T < - 0 0 16 -3,-0.8 -26,-0.9 1,-0.0 2,-0.3 -0.656 50.6-120.1 -88.1 141.9 -1.5 -1.4 -9.6 33 33 A K E +A 5 0A 148 -2,-0.3 2,-0.4 -28,-0.1 -28,-0.1 -0.632 33.3 178.2 -83.2 134.6 -2.6 2.2 -9.9 34 34 A V E -A 4 0A 7 -30,-0.9 2,-1.5 -2,-0.3 -30,-1.3 -0.969 27.4-140.8-141.0 123.4 -3.0 4.1 -6.5 35 35 A T - 0 0 87 12,-0.4 -32,-0.1 -2,-0.4 -33,-0.1 -0.630 33.9-130.6 -84.3 87.6 -4.0 7.7 -6.1 36 36 A I - 0 0 64 -2,-1.5 10,-0.2 -34,-0.1 3,-0.1 0.093 28.1-177.4 -34.5 145.7 -1.6 8.7 -3.2 37 37 A V - 0 0 70 8,-1.5 9,-0.1 1,-0.7 -1,-0.1 -0.396 53.3 -40.5-154.3 67.5 -3.5 10.4 -0.3 38 38 A G - 0 0 44 7,-0.1 7,-2.5 6,-0.0 -1,-0.7 -0.181 58.4-129.0 96.0 167.9 -1.1 11.5 2.5 39 39 A E E -D 44 0C 104 5,-0.3 2,-0.3 -3,-0.1 5,-0.2 -0.989 13.3-168.2-153.7 156.6 1.8 9.9 4.1 40 40 A E E > -D 43 0C 104 3,-1.9 3,-0.7 -2,-0.3 -23,-0.0 -0.938 55.8 -35.1-153.6 127.6 3.2 9.0 7.5 41 41 A G T 3 S- 0 0 49 -2,-0.3 2,-1.1 1,-0.2 -1,-0.1 -0.186 120.4 -19.5 59.5-152.9 6.6 7.8 8.7 42 42 A A T 3 S+ 0 0 55 -24,-0.2 15,-0.5 -3,-0.1 16,-0.3 -0.091 129.3 72.1 -77.5 38.9 8.6 5.4 6.4 43 43 A F E < -DE 40 56C 36 -2,-1.1 -3,-1.9 -3,-0.7 2,-0.3 -0.982 68.8-137.7-151.4 159.1 5.2 4.6 4.7 44 44 A Y E -DE 39 55C 84 11,-2.8 11,-1.6 -2,-0.3 2,-0.3 -0.828 20.3-120.2-118.9 157.3 2.6 6.2 2.3 45 45 A K E + E 0 54C 84 -7,-2.5 -8,-1.5 -2,-0.3 2,-0.3 -0.748 36.0 163.9 -99.8 144.3 -1.2 6.2 2.4 46 46 A I - 0 0 13 7,-0.6 7,-0.4 -2,-0.3 2,-0.4 -0.925 30.6-133.6-149.4 172.2 -3.3 4.8 -0.5 47 47 A E + 0 0 132 -2,-0.3 -12,-0.4 5,-0.2 2,-0.3 -0.879 39.9 140.3-139.9 105.1 -6.8 3.7 -1.3 48 48 A Y B > +F 51 0D 87 3,-1.9 3,-2.4 -2,-0.4 -14,-0.1 -0.931 59.7 23.4-139.7 163.7 -7.4 0.4 -3.2 49 49 A K T 3 S- 0 0 163 1,-0.3 3,-0.1 -2,-0.3 -1,-0.1 0.770 125.4 -71.8 51.8 24.9 -9.8 -2.5 -3.1 50 50 A G T 3 S+ 0 0 75 1,-0.3 -1,-0.3 -3,-0.1 2,-0.2 0.344 122.6 92.0 74.0 -8.9 -12.2 -0.1 -1.4 51 51 A S B < S-F 48 0D 80 -3,-2.4 -3,-1.9 2,-0.0 2,-0.4 -0.544 71.9-128.8-108.8 174.0 -9.9 -0.4 1.6 52 52 A H + 0 0 125 -5,-0.2 2,-0.3 -2,-0.2 -5,-0.2 -0.991 27.3 167.0-131.0 135.1 -6.8 1.5 2.8 53 53 A G - 0 0 9 -7,-0.4 -7,-0.6 -2,-0.4 2,-0.3 -0.983 32.5-113.8-145.0 154.6 -3.4 0.2 3.8 54 54 A Y E -CE 15 45C 40 -39,-1.6 -39,-1.4 -2,-0.3 2,-0.3 -0.654 32.0-175.3 -90.8 145.1 0.1 1.5 4.4 55 55 A V E - E 0 44C 9 -11,-1.6 -11,-2.8 -2,-0.3 -41,-0.1 -0.995 32.1 -98.7-141.9 145.8 3.1 0.7 2.1 56 56 A A E - E 0 43C 16 -2,-0.3 4,-0.5 -13,-0.2 -13,-0.2 -0.348 22.3-158.9 -62.9 138.4 6.8 1.4 2.2 57 57 A K S S+ 0 0 80 -15,-0.5 -1,-0.1 2,-0.2 -14,-0.1 0.723 87.9 64.3 -89.9 -25.1 7.8 4.4 -0.0 58 58 A E S S+ 0 0 159 -16,-0.3 -1,-0.1 1,-0.2 -15,-0.1 0.875 101.2 50.5 -66.0 -37.7 11.4 3.3 -0.3 59 59 A Y 0 0 155 1,-0.0 -1,-0.2 -52,-0.0 -2,-0.2 0.820 360.0 360.0 -68.9 -31.9 10.4 0.1 -2.2 60 60 A I 0 0 105 -4,-0.5 -2,-0.2 -54,-0.1 -3,-0.1 0.950 360.0 360.0 -81.3 360.0 8.3 2.2 -4.6