==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 08-FEB-08 2VO8 . COMPND 2 MOLECULE: EXO-ALPHA-SIALIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM PERFRINGENS; . AUTHOR K.GREGG,J.J.ADAMS,E.A.BAYER,A.B.BORASTON,S.P.SMITH . 135 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7174.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 101 74.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 5.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 66 48.9 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 . 2 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.7 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 0.7 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 . 15 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 7 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 1 0.7 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 1 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 PARALLEL BRIDGES PER LADDER . 1 0 1 0 1 2 2 2 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 0 1 0 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 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 1 939 A T 0 0 176 0, 0.0 121,-0.4 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0-148.3 23.3 -9.6 31.4 2 940 A T - 0 0 56 119,-0.1 121,-0.2 1,-0.1 3,-0.1 -0.870 360.0-152.0-138.6 157.4 22.7 -5.8 31.3 3 941 A V S S- 0 0 16 119,-2.8 27,-2.2 -2,-0.3 2,-0.3 0.459 77.0 -27.0-110.6 -5.1 23.1 -2.6 33.4 4 942 A G E S-a 123 0A 6 118,-0.5 120,-2.5 25,-0.2 2,-0.4 -0.969 72.1 -75.0 176.7-174.6 20.3 -0.5 31.9 5 943 A N E -aB 124 27A 47 22,-2.7 22,-1.9 -2,-0.3 2,-0.2 -0.907 27.3-134.8-109.5 140.9 18.1 0.2 28.8 6 944 A S E - B 0 26A 7 118,-2.3 2,-0.4 -2,-0.4 20,-0.3 -0.560 26.5-151.9 -77.5 155.5 18.9 2.0 25.6 7 945 A T E - B 0 25A 28 18,-1.9 18,-2.3 -2,-0.2 2,-0.3 -0.964 17.2-175.5-130.4 141.7 16.2 4.4 24.4 8 946 A I E - B 0 24A 19 -2,-0.4 2,-0.5 16,-0.2 16,-0.2 -0.954 7.6-172.7-135.1 126.3 15.2 5.6 21.0 9 947 A K E + B 0 23A 94 14,-1.7 14,-3.0 -2,-0.3 2,-0.3 -0.971 19.0 146.6-122.0 124.9 12.5 8.4 20.7 10 948 A V - 0 0 14 -2,-0.5 12,-0.1 12,-0.2 119,-0.1 -0.981 51.3 -90.3-156.4 150.5 11.1 9.3 17.3 11 949 A N - 0 0 118 10,-0.4 3,-0.1 -2,-0.3 117,-0.0 -0.338 31.5-128.6 -64.3 146.3 7.8 10.5 15.9 12 950 A D S S+ 0 0 109 1,-0.2 119,-2.6 118,-0.1 2,-0.4 0.763 94.8 43.4 -62.1 -35.7 5.4 7.7 14.7 13 951 A E E +e 131 0B 114 117,-0.2 2,-0.2 119,-0.1 119,-0.2 -0.982 63.8 170.7-124.5 132.6 5.0 9.4 11.4 14 952 A V E -e 132 0B 10 117,-2.7 119,-3.0 -2,-0.4 2,-0.4 -0.702 21.8-133.6-124.1 175.0 7.6 11.0 9.2 15 953 A Q E > -e 133 0B 86 3,-0.5 3,-2.3 117,-0.2 119,-0.2 -0.995 24.1 -98.7-143.2 136.7 7.4 12.4 5.6 16 954 A V T 3 S+ 0 0 20 117,-2.7 82,-0.2 -2,-0.4 3,-0.1 -0.227 111.2 14.6 -48.7 132.6 9.4 12.1 2.4 17 955 A G T 3 S+ 0 0 46 80,-2.5 2,-0.5 1,-0.1 -1,-0.3 0.414 102.8 104.6 78.3 3.5 11.5 15.3 2.0 18 956 A S < - 0 0 64 -3,-2.3 -3,-0.5 79,-0.1 -1,-0.1 -0.966 67.1-131.9-121.3 120.4 11.1 16.5 5.6 19 957 A A + 0 0 55 -2,-0.5 2,-0.3 77,-0.2 77,-0.2 -0.394 29.9 177.0 -68.4 144.2 14.0 16.1 8.1 20 958 A F E - C 0 95A 13 75,-2.5 75,-2.4 -2,-0.1 2,-0.4 -0.945 23.2-118.2-141.9 167.0 13.2 14.6 11.5 21 959 A E E - C 0 94A 101 -2,-0.3 2,-0.5 73,-0.2 -10,-0.4 -0.897 8.7-159.8-109.6 130.8 15.3 13.5 14.6 22 960 A A E - C 0 93A 0 71,-2.6 71,-2.9 -2,-0.4 2,-0.6 -0.971 21.7-147.7 -98.9 130.7 15.7 10.1 16.3 23 961 A I E -BC 9 92A 41 -14,-3.0 -14,-1.7 -2,-0.5 2,-0.4 -0.861 9.8-160.8-107.4 113.0 16.8 10.7 19.9 24 962 A L E +BC 8 91A 0 67,-2.6 66,-3.1 -2,-0.6 67,-2.1 -0.729 27.6 132.6 -96.8 134.3 19.1 8.1 21.3 25 963 A G E -BC 7 89A 0 -18,-2.3 -18,-1.9 -2,-0.4 2,-0.3 -0.772 45.0 -99.8-153.3-162.2 19.6 7.7 25.1 26 964 A I E -B 6 0A 1 62,-2.2 2,-0.3 -20,-0.3 -20,-0.2 -0.902 27.8-176.8-131.8 160.9 19.7 5.6 28.2 27 965 A E E +B 5 0A 79 -22,-1.9 -22,-2.7 -2,-0.3 60,-0.2 -0.984 59.0 16.0-158.3 147.3 17.1 4.8 31.0 28 966 A G S S- 0 0 35 -2,-0.3 59,-0.1 -24,-0.2 3,-0.1 0.791 71.5-177.9 60.8 33.7 16.9 2.9 34.2 29 967 A L - 0 0 14 57,-0.8 -25,-0.2 -25,-0.1 -1,-0.2 -0.366 38.2 -93.6 -63.3 146.2 20.7 2.5 34.8 30 968 A N > - 0 0 74 -27,-2.2 3,-1.9 1,-0.1 -1,-0.1 -0.312 35.6-120.4 -57.5 140.8 21.8 0.5 37.9 31 969 A G T 3 S+ 0 0 70 1,-0.3 -1,-0.1 -3,-0.1 -2,-0.1 0.798 110.7 47.1 -61.1 -32.2 22.4 2.9 40.8 32 970 A D T 3 S+ 0 0 136 2,-0.1 2,-0.7 0, 0.0 -1,-0.3 0.227 86.5 103.2 -90.9 5.7 26.0 1.8 41.2 33 971 A T < - 0 0 10 -3,-1.9 2,-0.7 -30,-0.1 -4,-0.0 -0.877 56.7-161.7 -93.9 117.1 26.9 2.1 37.5 34 972 A E - 0 0 89 -2,-0.7 82,-1.6 49,-0.0 2,-0.4 -0.899 13.3-152.8 -98.4 107.1 28.8 5.3 36.8 35 973 A V E +FG 84 115B 1 -2,-0.7 49,-2.6 49,-0.5 80,-0.3 -0.678 31.9 158.9 -94.7 130.0 28.6 6.0 33.1 36 974 A Y E + 0 0 85 78,-3.0 43,-2.9 -2,-0.4 2,-0.3 0.452 69.5 13.3-117.8 -10.2 31.3 7.9 31.2 37 975 A S E -HG 78 114B 43 77,-1.5 77,-2.1 41,-0.2 -1,-0.3 -0.989 58.0-159.2-158.1 156.0 30.6 6.8 27.6 38 976 A A E -HG 77 113B 4 39,-2.7 39,-2.9 -2,-0.3 2,-0.3 -0.940 3.9-159.0-134.6 164.6 28.1 5.0 25.5 39 977 A E E -HG 76 112B 63 73,-2.3 73,-1.7 -2,-0.3 2,-0.3 -0.952 9.8-179.3-144.9 124.7 28.2 3.2 22.1 40 978 A Y E -HG 75 111B 1 35,-2.3 35,-2.4 -2,-0.3 2,-0.5 -0.802 25.0-148.9-109.4 158.1 25.4 2.3 19.7 41 979 A L E -HG 74 110B 35 69,-1.8 68,-2.3 -2,-0.3 69,-0.8 -0.975 29.8-159.4-116.7 111.4 25.2 0.6 16.4 42 980 A F E -HG 73 108B 0 31,-3.0 31,-2.7 -2,-0.5 2,-0.4 -0.812 7.0-163.9 -95.8 127.2 22.3 2.5 14.8 43 981 A E E +HG 72 107B 55 64,-2.9 64,-2.1 -2,-0.5 2,-0.3 -0.905 17.5 152.7-122.3 142.3 20.5 0.7 12.0 44 982 A Y - 0 0 20 27,-2.1 2,-1.0 -2,-0.4 62,-0.1 -0.968 52.4 -87.8-158.1 164.1 18.1 2.1 9.4 45 983 A N >> - 0 0 52 -2,-0.3 4,-1.4 60,-0.2 3,-1.2 -0.734 31.9-162.3 -86.7 104.9 17.0 1.3 5.9 46 984 A A T 34 S+ 0 0 36 -2,-1.0 -1,-0.2 1,-0.3 25,-0.1 0.651 88.3 59.6 -65.5 -16.6 19.5 3.2 3.7 47 985 A E T 34 S+ 0 0 140 1,-0.1 -1,-0.3 23,-0.1 51,-0.1 0.822 111.9 38.3 -76.8 -29.4 17.0 2.9 0.7 48 986 A A T <4 S+ 0 0 3 -3,-1.2 50,-3.2 1,-0.1 51,-1.0 0.691 117.1 43.7 -96.0 -23.5 14.3 4.8 2.6 49 987 A F E < -D 97 0A 4 -4,-1.4 2,-0.5 48,-0.3 -1,-0.1 -0.951 60.7-141.4-128.7 147.8 16.3 7.5 4.4 50 988 A I E -D 96 0A 77 46,-2.6 46,-1.8 -2,-0.3 2,-0.6 -0.946 26.5-133.1 -97.3 123.4 19.2 9.9 3.9 51 989 A L E +D 95 0A 44 -2,-0.5 44,-0.2 44,-0.2 3,-0.1 -0.713 30.7 174.3 -79.2 116.1 21.5 10.2 7.0 52 990 A N E - 0 0 71 42,-2.6 2,-0.3 -2,-0.6 43,-0.2 0.954 53.1 -30.3 -89.8 -60.6 22.0 14.0 7.5 53 991 A E E -D 94 0A 112 41,-1.0 41,-3.0 2,-0.0 2,-0.5 -0.966 43.1-147.2-159.7 152.1 24.0 14.5 10.7 54 992 A I E +D 93 0A 24 -2,-0.3 2,-0.3 39,-0.2 39,-0.2 -0.997 32.3 167.7-124.9 120.3 24.5 12.8 14.0 55 993 A T E -D 92 0A 44 37,-2.4 37,-2.9 -2,-0.5 2,-0.1 -0.887 38.7 -86.9-133.0 164.9 25.2 15.2 17.0 56 994 A S E -D 91 0A 33 -2,-0.3 35,-0.3 35,-0.2 3,-0.1 -0.394 29.9-130.3 -69.5 147.2 25.4 15.3 20.7 57 995 A F S S- 0 0 75 33,-2.3 2,-0.3 1,-0.2 34,-0.2 0.804 90.4 -2.3 -71.6 -23.5 22.1 15.9 22.6 58 996 A N S > S- 0 0 68 32,-0.4 3,-1.2 31,-0.0 -1,-0.2 -0.960 80.3 -97.5-156.6 174.3 24.0 18.6 24.6 59 997 A D T 3 S+ 0 0 146 -2,-0.3 -2,-0.0 1,-0.3 -3,-0.0 0.255 106.2 76.6 -88.6 16.3 27.4 20.1 24.9 60 998 A S T 3 S+ 0 0 53 21,-0.0 20,-2.1 19,-0.0 21,-0.3 0.375 99.7 47.8 -95.1 3.2 28.6 18.1 27.9 61 999 A L E < S-I 79 0B 9 -3,-1.2 2,-0.4 18,-0.2 18,-0.2 -0.873 71.6-144.6-130.4 159.7 29.1 15.1 25.6 62 1000 A F E -I 78 0B 94 16,-2.2 16,-2.5 -2,-0.3 2,-0.4 -0.998 12.4-154.3-128.0 144.0 30.9 14.6 22.3 63 1001 A V E -I 77 0B 26 -2,-0.4 2,-0.4 14,-0.2 14,-0.2 -0.893 10.3-176.6-114.7 136.1 29.8 12.2 19.5 64 1002 A K E +I 76 0B 136 12,-2.4 12,-3.3 -2,-0.4 2,-0.3 -0.984 15.0 177.5-124.7 144.6 31.8 10.5 16.8 65 1003 A S E -I 75 0B 60 -2,-0.4 2,-0.3 10,-0.2 10,-0.2 -0.993 17.0-171.8-150.1 149.2 30.1 8.3 14.2 66 1004 A K E -I 74 0B 110 8,-2.1 8,-2.8 -2,-0.3 2,-1.3 -0.973 25.6-136.6-143.7 127.6 30.9 6.3 11.1 67 1005 A E E -I 73 0B 80 -2,-0.3 6,-0.3 6,-0.3 -2,-0.0 -0.753 28.2-178.8 -79.0 98.4 28.5 4.7 8.6 68 1006 A V E + 0 0 56 -2,-1.3 -1,-0.2 4,-1.3 5,-0.2 0.692 69.8 3.7 -80.7 -22.8 30.4 1.4 8.4 69 1007 A E E > S-I 72 0B 105 3,-1.4 3,-2.3 -3,-0.1 -1,-0.2 -0.937 106.0 -72.7-145.6 159.7 28.0 -0.2 5.9 70 1008 A P T 3 S+ 0 0 106 0, 0.0 -24,-0.1 0, 0.0 -23,-0.1 -0.290 123.5 9.0 -53.4 125.3 25.0 1.4 4.3 71 1009 A G T 3 S+ 0 0 2 -26,-0.1 -27,-2.1 1,-0.1 2,-0.4 0.572 109.7 96.1 81.0 10.5 22.3 1.7 7.0 72 1010 A K E < -HI 43 69B 63 -3,-2.3 -3,-1.4 -29,-0.2 -4,-1.3 -0.957 51.9-176.5-135.3 113.5 24.7 0.7 9.9 73 1011 A V E -HI 42 67B 0 -31,-2.7 -31,-3.0 -2,-0.4 2,-0.5 -0.954 19.1-146.4-124.1 117.4 26.2 3.5 11.9 74 1012 A R E -HI 41 66B 95 -8,-2.8 -8,-2.1 -2,-0.5 2,-0.5 -0.733 22.3-170.2 -80.4 124.3 28.7 3.1 14.7 75 1013 A I E -HI 40 65B 0 -35,-2.4 -35,-2.3 -2,-0.5 2,-0.5 -0.984 9.7-169.0-126.6 118.9 28.1 5.9 17.3 76 1014 A L E -HI 39 64B 80 -12,-3.3 -12,-2.4 -2,-0.5 2,-0.4 -0.976 4.6-171.4-110.9 122.1 30.5 6.7 20.2 77 1015 A V E -HI 38 63B 2 -39,-2.9 -39,-2.7 -2,-0.5 2,-0.4 -0.945 9.2-178.4-110.3 130.3 29.2 9.1 22.8 78 1016 A A E -HI 37 62B 25 -16,-2.5 -16,-2.2 -2,-0.4 -41,-0.2 -0.991 26.7-118.4-135.6 140.6 31.8 10.2 25.5 79 1017 A S E - 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