==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-APR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CHAPERONE 31-MAR-09 3GW6 . COMPND 2 MOLECULE: ENDO-N-ACETYLNEURAMINIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE K1F; . AUTHOR E.C.SCHULZ,A.DICKMANNS,R.FICNER . 1531 20 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 65659.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1114 72.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 221 14.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 311 20.3 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 . 6 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.4 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 . 169 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 108 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 240 15.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 0.5 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 1 1 1 10 0 2 4 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 2 1 0 0 0 RESIDUES PER ALPHA HELIX . 24 7 11 6 6 6 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 . 28 7 6 6 6 6 0 0 0 0 0 0 0 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 6 6 0 6 0 0 0 0 0 6 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 1 800 A H 0 0 112 0, 0.0 2,-0.3 0, 0.0 270,-0.2 0.000 360.0 360.0 360.0 156.5 32.8 19.5 -13.6 2 801 A V E -a 271 0A 64 268,-1.5 270,-1.8 262,-0.1 2,-0.4 -0.896 360.0-155.8-116.6 152.5 29.7 21.1 -15.1 3 802 A T E -a 272 0A 77 -2,-0.3 2,-0.5 268,-0.2 270,-0.2 -0.997 13.6-141.9-124.4 139.4 26.9 22.9 -13.5 4 803 A I E a 273 0A 13 268,-2.3 270,-2.7 -2,-0.4 5,-0.1 -0.853 360.0 360.0-103.0 126.5 23.5 23.2 -15.3 5 804 A R 0 0 168 -2,-0.5 3,-0.3 268,-0.2 -1,-0.2 0.809 360.0 360.0-110.2 360.0 21.6 26.5 -14.9 6 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 7 811 A I 0 0 128 0, 0.0 269,-1.8 0, 0.0 270,-0.8 0.000 360.0 360.0 360.0 4.0 13.7 28.0 -11.7 8 812 A R E -Kl 275 277B 46 -3,-0.3 2,-0.3 267,-0.2 267,-0.2 -0.911 360.0-143.0-160.2 136.3 14.6 24.6 -13.1 9 813 A S E - l 0 278B 0 268,-1.7 270,-2.0 265,-0.8 2,-0.4 -0.749 22.1-161.1 -98.6 149.9 17.6 23.1 -14.9 10 814 A E E - l 0 279B 43 -2,-0.3 1283,-2.0 268,-0.2 2,-0.4 -0.988 20.9-173.5-138.6 139.9 17.2 20.6 -17.7 11 815 A V E -ml1293 280B 10 268,-2.6 270,-2.2 -2,-0.4 2,-0.5 -0.955 14.4-166.7-128.1 112.3 19.2 18.0 -19.6 12 816 A L E -ml1294 281B 52 1281,-2.2 1283,-2.5 -2,-0.4 2,-0.5 -0.879 5.8-155.8 -99.2 124.4 17.5 16.5 -22.6 13 817 A M E -ml1295 282B 0 268,-2.5 270,-2.4 -2,-0.5 1283,-0.2 -0.861 13.5-162.7 -98.1 132.4 19.1 13.3 -24.0 14 818 A E + 0 0 76 1281,-2.4 1286,-0.8 -2,-0.5 3,-0.1 -0.181 43.8 61.5 -99.2-166.2 18.4 12.6 -27.7 15 819 A G B S-U 1299 0C 23 1284,-0.2 1284,-0.2 1,-0.2 3,-0.1 -0.355 106.2 -53.4 82.6-167.4 18.7 9.6 -29.9 16 820 A E S S- 0 0 37 1282,-1.8 277,-0.7 1,-0.3 2,-0.3 0.930 123.4 -1.3 -71.5 -47.7 16.7 6.3 -29.4 17 821 A Y E S-vw 2931299C 2 1281,-1.3 1283,-1.4 275,-0.2 2,-0.3 -0.959 70.1-127.8-139.2 158.1 17.9 6.1 -25.8 18 822 A G E -vw 2941300C 0 275,-2.6 277,-2.7 -2,-0.3 2,-0.4 -0.765 17.8-157.5-102.7 154.5 20.1 8.0 -23.4 19 823 A F E -vw 2951301C 0 1281,-1.7 1283,-2.9 -2,-0.3 2,-0.5 -0.970 12.0-179.0-137.4 121.8 23.0 6.6 -21.4 20 824 A I E +vw 2961302C 3 275,-2.6 277,-2.7 -2,-0.4 2,-0.2 -0.954 28.4 153.7-118.7 111.1 24.6 8.0 -18.2 21 825 A G E - w 01303C 0 1281,-2.2 1283,-2.2 -2,-0.5 2,-0.5 -0.714 42.0-109.2-134.4 179.4 27.4 5.8 -17.0 22 826 A K E - w 01304C 0 277,-2.8 1283,-0.2 -2,-0.2 279,-0.1 -0.950 27.5-136.9-120.4 117.4 30.7 5.6 -15.1 23 827 A S - 0 0 27 1281,-2.4 10,-0.1 -2,-0.5 278,-0.0 -0.096 39.9 -86.6 -60.7 167.0 34.1 5.1 -16.7 24 828 A I - 0 0 74 8,-0.1 1282,-0.1 1,-0.1 -1,-0.1 -0.715 49.4-120.7 -81.7 110.9 36.6 2.7 -15.2 25 829 A P - 0 0 7 0, 0.0 1282,-0.1 0, 0.0 7,-0.1 -0.089 11.9-143.9 -48.5 146.4 38.6 4.6 -12.6 26 830 A T S S+ 0 0 132 2,-0.1 1281,-0.0 1,-0.1 -2,-0.0 0.882 92.5 20.9 -79.9 -40.4 42.3 4.7 -13.2 27 831 A D S S+ 0 0 156 1,-0.2 -1,-0.1 240,-0.0 3,-0.1 0.684 134.4 25.8-110.3 -23.5 43.5 4.5 -9.6 28 832 A N > + 0 0 68 1,-0.1 3,-2.5 239,-0.1 4,-0.2 -0.388 57.1 159.3-140.4 64.4 40.6 3.1 -7.5 29 833 A P G > S+ 0 0 52 0, 0.0 3,-0.6 0, 0.0 -1,-0.1 0.566 71.3 74.9 -63.7 -7.6 38.4 0.9 -9.7 30 834 A A G 3 S+ 0 0 37 1,-0.2 28,-2.2 27,-0.2 29,-0.3 0.614 96.4 49.5 -76.2 -12.3 37.2 -0.8 -6.6 31 835 A G G < S+ 0 0 4 -3,-2.5 -1,-0.2 26,-0.2 26,-0.1 0.380 75.6 146.0-106.9 1.5 35.2 2.3 -5.9 32 836 A Q < + 0 0 2 -3,-0.6 22,-2.6 -4,-0.2 2,-0.3 -0.142 28.9 113.3 -45.6 119.6 33.5 2.6 -9.4 33 837 A R E -Bc 531308A 3 1274,-0.7 1276,-2.2 20,-0.3 2,-0.4 -0.965 55.6-123.8-175.5 164.8 30.0 4.0 -8.9 34 838 A I E -Bc 521309A 0 18,-1.9 18,-2.1 -2,-0.3 2,-0.6 -0.996 17.6-151.9-124.3 134.6 27.7 7.0 -9.5 35 839 A I E -Bc 511310A 2 1274,-3.4 1276,-2.7 -2,-0.4 2,-0.5 -0.915 5.9-162.7-106.6 117.0 25.8 8.8 -6.7 36 840 A F E -Bc 501311A 8 14,-2.6 14,-1.8 -2,-0.6 2,-0.4 -0.878 17.0-174.0 -97.9 126.8 22.5 10.4 -7.6 37 841 A C E -B 49 0A 0 1274,-2.7 1276,-0.3 -2,-0.5 12,-0.2 -0.973 36.8-154.6-132.3 134.1 21.5 13.0 -5.1 38 842 A G S S+ 0 0 0 10,-2.4 1307,-0.4 -2,-0.4 2,-0.2 0.506 90.4 54.3 -75.8 -4.9 18.4 15.1 -4.5 39 843 A G S S- 0 0 0 9,-0.3 1274,-1.4 2,-0.2 8,-0.2 -0.682 93.8-105.9-124.4-179.7 20.8 17.4 -2.7 40 844 A E S S+ 0 0 63 6,-0.3 2,-0.3 1272,-0.2 1274,-0.1 0.467 87.9 75.4 -89.6 -3.4 24.0 19.3 -3.3 41 845 A G S S- 0 0 16 2,-0.3 -2,-0.2 1272,-0.1 5,-0.2 -0.848 75.2-130.0-119.3 149.5 26.4 17.1 -1.2 42 846 A T S S+ 0 0 9 -2,-0.3 2,-0.3 4,-0.1 150,-0.2 0.711 91.3 89.2 -63.4 -18.6 28.1 13.7 -1.6 43 847 A S S > S- 0 0 20 1,-0.1 3,-1.7 148,-0.1 4,-0.3 -0.638 81.3-135.7 -82.3 137.7 26.8 13.1 1.9 44 848 A S T 3 S+ 0 0 36 -2,-0.3 3,-0.2 1,-0.3 -1,-0.1 0.510 99.4 77.7 -74.4 -4.4 23.3 11.6 2.1 45 849 A T T 3 S+ 0 0 110 1,-0.2 -1,-0.3 3,-0.0 3,-0.1 0.562 91.8 60.1 -72.2 -6.8 22.4 14.0 4.9 46 850 A T S < S- 0 0 20 -3,-1.7 1300,-2.8 1,-0.3 1301,-0.5 0.770 121.4 -34.9 -93.9 -31.4 22.1 16.4 2.0 47 851 A G B S-E 1345 0D 0 -4,-0.3 -1,-0.3 1298,-0.3 1298,-0.3 -0.964 77.8 -58.6-179.7 166.9 19.3 14.6 0.0 48 852 A A - 0 0 0 1296,-3.0 -10,-2.4 -2,-0.3 2,-0.3 -0.325 59.4-158.4 -59.2 141.3 17.8 11.3 -1.0 49 853 A Q E -BD 37 66A 14 17,-3.2 17,-3.2 -12,-0.2 2,-0.4 -0.917 26.5-171.2-130.3 151.5 20.3 9.1 -2.9 50 854 A I E -BD 36 65A 5 -14,-1.8 -14,-2.6 -2,-0.3 2,-0.5 -0.967 17.2-163.9-135.1 123.5 20.6 6.2 -5.3 51 855 A T E -BD 35 64A 11 13,-2.1 13,-1.6 -2,-0.4 2,-0.6 -0.934 6.1-156.4-117.3 120.4 24.0 4.8 -5.9 52 856 A L E -BD 34 63A 1 -18,-2.1 -18,-1.9 -2,-0.5 2,-0.4 -0.825 14.6-148.6 -95.0 121.7 24.9 2.5 -8.8 53 857 A Y E -B 33 0A 7 9,-2.8 255,-3.4 -2,-0.6 245,-0.4 -0.721 12.0-127.0 -93.7 138.3 27.9 0.3 -8.2 54 858 A G B -F 307 0E 0 -22,-2.6 7,-2.2 -2,-0.4 8,-0.4 -0.206 22.6-113.2 -72.5 169.3 30.1 -0.8 -11.0 55 859 A A S S+ 0 0 31 251,-2.2 5,-0.2 5,-0.3 252,-0.2 0.810 120.4 54.1 -71.4 -30.4 31.1 -4.4 -11.8 56 860 A N S S+ 0 0 82 250,-0.4 -1,-0.2 3,-0.1 4,-0.1 0.698 87.6 109.2 -73.7 -20.9 34.6 -3.6 -10.8 57 861 A N S > S- 0 0 4 -25,-0.2 3,-0.5 2,-0.2 -26,-0.2 -0.234 83.9-117.3 -61.3 143.7 33.4 -2.2 -7.5 58 862 A T T 3 S+ 0 0 81 -28,-2.2 2,-1.1 1,-0.3 -1,-0.1 0.889 120.4 48.3 -44.5 -45.2 34.2 -4.2 -4.3 59 863 A D T > S- 0 0 16 -29,-0.3 3,-1.7 3,-0.1 -1,-0.3 -0.616 104.1-141.6 -96.3 72.1 30.4 -4.6 -4.0 60 864 A S T < - 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