==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 21-SEP-01 1K0Z . COMPND 2 MOLECULE: TYPE II RESTRICTION ENZYME PVUII; . SOURCE 2 ORGANISM_SCIENTIFIC: PROTEUS VULGARIS; . AUTHOR A.SPYRIDAKI,A.ATHANASIADIS,C.MATZEN,T.LANIO,A.JELTSCH, . 305 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15933.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 237 77.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 4.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 46 15.1 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 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 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 . 20 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 100 32.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.0 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 3 1 0 0 2 0 0 0 0 0 2 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 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 PARALLEL BRIDGES PER LADDER . 2 8 0 0 0 0 2 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 2 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 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 5 A D > 0 0 87 0, 0.0 4,-1.6 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -41.9 37.6 46.2 32.3 2 6 A L H > + 0 0 93 1,-0.3 4,-1.1 2,-0.2 5,-0.1 0.723 360.0 56.4 -64.8 -19.5 38.9 49.7 31.4 3 7 A N H > S+ 0 0 132 2,-0.2 4,-1.7 1,-0.2 -1,-0.3 0.871 101.8 55.2 -75.7 -39.6 41.9 47.7 30.3 4 8 A K H > S+ 0 0 98 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.843 104.0 54.4 -61.3 -35.9 39.7 45.7 28.0 5 9 A L H X S+ 0 0 17 -4,-1.6 4,-2.9 2,-0.2 -1,-0.2 0.892 106.8 50.2 -66.4 -40.6 38.4 48.9 26.4 6 10 A L H < S+ 0 0 134 -4,-1.1 -1,-0.2 1,-0.2 -2,-0.2 0.853 115.7 43.4 -66.5 -33.3 42.0 50.0 25.6 7 11 A E H < S+ 0 0 93 -4,-1.7 4,-0.3 1,-0.1 -2,-0.2 0.814 122.2 37.5 -81.7 -30.9 42.7 46.6 24.1 8 12 A L H >X S+ 0 0 0 -4,-2.3 4,-1.5 -5,-0.2 3,-0.7 0.781 97.9 74.7 -92.3 -30.4 39.4 46.3 22.2 9 13 A W H 3X S+ 0 0 49 -4,-2.9 4,-2.9 1,-0.2 5,-0.3 0.867 87.7 60.0 -54.3 -44.9 38.7 49.9 21.0 10 14 A P H 3> S+ 0 0 77 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.884 109.5 44.9 -52.0 -39.4 41.3 49.9 18.1 11 15 A H H <> S+ 0 0 52 -3,-0.7 4,-1.7 -4,-0.3 -2,-0.2 0.829 110.6 54.4 -73.7 -32.7 39.5 47.0 16.5 12 16 A I H X S+ 0 0 2 -4,-1.5 4,-2.0 2,-0.2 -1,-0.2 0.919 107.7 49.1 -66.8 -43.6 36.1 48.6 17.1 13 17 A Q H X S+ 0 0 59 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.886 109.6 52.6 -64.5 -35.8 37.1 51.8 15.3 14 18 A E H X S+ 0 0 69 -4,-1.5 4,-2.0 -5,-0.3 -1,-0.2 0.865 107.6 51.6 -67.3 -34.0 38.4 49.7 12.4 15 19 A Y H X S+ 0 0 0 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.872 110.9 47.8 -68.1 -38.6 35.1 48.0 12.2 16 20 A Q H X S+ 0 0 7 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.861 108.7 54.9 -68.7 -36.9 33.4 51.4 12.1 17 21 A D H X S+ 0 0 79 -4,-2.3 4,-1.6 2,-0.2 -2,-0.2 0.901 109.8 46.5 -61.8 -42.1 35.8 52.5 9.4 18 22 A L H X S+ 0 0 11 -4,-2.0 4,-0.9 1,-0.2 -2,-0.2 0.916 110.5 53.9 -66.4 -42.3 34.8 49.5 7.4 19 23 A A H ><>S+ 0 0 0 -4,-2.2 5,-2.5 1,-0.2 3,-1.0 0.911 104.8 53.9 -58.2 -45.5 31.2 50.3 8.1 20 24 A L H ><5S+ 0 0 86 -4,-2.6 3,-2.1 1,-0.3 -1,-0.2 0.909 101.7 58.3 -56.9 -44.1 31.6 53.9 6.8 21 25 A K H 3<5S+ 0 0 168 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.762 108.9 47.2 -58.1 -25.2 33.0 52.6 3.5 22 26 A H T <<5S- 0 0 25 -3,-1.0 24,-0.4 -4,-0.9 -1,-0.3 0.137 126.2 -94.7-105.6 20.0 29.8 50.7 3.0 23 27 A G T < 5S+ 0 0 46 -3,-2.1 2,-0.7 1,-0.2 -3,-0.2 0.668 84.2 127.5 81.3 16.6 27.3 53.4 3.8 24 28 A I < - 0 0 12 -5,-2.5 3,-0.2 -6,-0.1 -1,-0.2 -0.921 34.0-175.6-109.5 108.7 26.8 52.7 7.5 25 29 A N S S+ 0 0 131 -2,-0.7 2,-0.3 1,-0.2 -1,-0.1 0.785 72.1 22.5 -74.6 -30.2 27.4 55.8 9.5 26 30 A D > - 0 0 26 3,-0.2 3,-1.4 1,-0.1 6,-0.4 -0.867 54.6-169.0-145.8 106.5 27.0 54.4 13.0 27 31 A I T 3 S+ 0 0 1 -2,-0.3 6,-2.2 1,-0.3 7,-0.2 0.734 88.3 62.3 -65.1 -21.8 27.4 50.8 13.9 28 32 A F T 3 S+ 0 0 1 4,-0.2 159,-2.0 3,-0.1 160,-0.4 0.271 98.4 62.7 -90.7 12.5 26.0 51.4 17.4 29 33 A Q S X S+ 0 0 68 -3,-1.4 3,-2.1 157,-0.2 -3,-0.2 -0.987 105.6 2.0-137.4 147.7 22.5 52.5 16.2 30 34 A D T 3 S- 0 0 144 -2,-0.3 155,-0.2 1,-0.3 -1,-0.1 0.877 123.7 -61.8 45.6 51.2 19.7 50.9 14.2 31 35 A N T >> S+ 0 0 53 153,-1.4 4,-2.5 -3,-0.1 3,-1.4 0.692 88.9 152.6 52.5 24.0 21.5 47.5 13.9 32 36 A G H <> + 0 0 6 -3,-2.1 4,-1.8 152,-0.5 -5,-0.2 0.891 69.5 50.2 -48.4 -48.7 24.3 49.2 12.0 33 37 A G H 3> S+ 0 0 0 -6,-2.2 4,-0.5 1,-0.2 -1,-0.3 0.697 113.0 48.0 -66.1 -19.8 26.9 46.6 13.1 34 38 A K H X> S+ 0 0 14 -3,-1.4 4,-1.2 -7,-0.2 3,-0.7 0.892 106.8 53.2 -85.5 -46.2 24.6 43.8 12.1 35 39 A L H 3X S+ 0 0 60 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.889 101.2 63.1 -56.5 -40.2 23.6 45.0 8.7 36 40 A L H 3X S+ 0 0 0 -4,-1.8 4,-2.6 -5,-0.3 5,-0.2 0.877 98.2 54.6 -53.5 -42.4 27.3 45.4 7.8 37 41 A Q H S+ 0 0 1 -4,-2.4 4,-1.7 1,-0.2 5,-1.0 0.916 113.1 43.9 -59.7 -47.6 26.4 43.4 3.2 40 44 A L H <5S+ 0 0 0 -4,-2.6 115,-1.5 2,-0.2 118,-0.3 0.880 116.6 45.7 -66.6 -41.5 30.0 42.1 3.3 41 45 A I H <5S+ 0 0 15 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.945 122.3 36.1 -65.9 -49.4 29.0 38.4 3.1 42 46 A T H <5S- 0 0 19 -4,-2.6 -2,-0.2 -5,-0.3 -1,-0.2 0.615 100.9-130.0 -82.3 -15.3 26.5 38.9 0.3 43 47 A G T <5 + 0 0 5 -4,-1.7 14,-0.3 -5,-0.2 -3,-0.2 0.767 56.4 144.3 71.6 24.6 28.4 41.6 -1.6 44 48 A L < - 0 0 6 -5,-1.0 2,-0.4 -6,-0.3 12,-0.2 -0.474 46.2-131.0 -94.4 168.0 25.4 43.9 -1.8 45 49 A T E -A 55 0A 71 10,-2.7 10,-2.0 -2,-0.1 2,-0.1 -0.965 26.5-118.7-117.7 133.0 25.2 47.8 -1.6 46 50 A V E -A 54 0A 37 -24,-0.4 8,-0.3 -2,-0.4 7,-0.1 -0.415 23.1-146.2 -73.0 147.8 22.7 49.5 0.7 47 51 A L - 0 0 51 6,-2.7 -1,-0.0 -2,-0.1 14,-0.0 -0.799 30.4 -88.3-111.4 153.6 20.0 51.7 -0.6 48 52 A P 0 0 117 0, 0.0 -1,-0.1 0, 0.0 6,-0.0 -0.242 360.0 360.0 -57.9 147.3 18.5 54.8 1.0 49 53 A G 0 0 121 -3,-0.0 -2,-0.0 4,-0.0 0, 0.0 0.994 360.0 360.0 -71.2 360.0 15.6 54.2 3.3 50 ! 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 51 56 A G 0 0 65 0, 0.0 34,-0.0 0, 0.0 38,-0.0 0.000 360.0 360.0 360.0-154.0 11.0 49.9 -0.3 52 57 A N - 0 0 26 1,-0.1 11,-0.2 11,-0.1 3,-0.1 -0.238 360.0-162.8 -58.9 145.1 14.0 48.0 -1.6 53 58 A D + 0 0 55 9,-2.3 -6,-2.7 1,-0.2 2,-0.3 0.656 60.6 10.2-106.9 -21.2 16.9 47.9 0.8 54 59 A A E -AB 46 62A 0 8,-1.4 8,-2.8 -8,-0.3 2,-0.3 -0.951 53.8-152.8-153.3 169.8 19.9 46.8 -1.3 55 60 A V E -AB 45 61A 23 -10,-2.0 -10,-2.7 -2,-0.3 6,-0.2 -0.984 14.3-133.9-146.8 152.2 21.2 46.2 -4.8 56 61 A D > - 0 0 38 4,-1.7 3,-2.1 -2,-0.3 -12,-0.1 -0.440 42.1 -89.3 -99.3 176.8 23.9 44.0 -6.4 57 62 A N T 3 S+ 0 0 150 1,-0.3 -13,-0.0 -14,-0.3 -14,-0.0 0.672 125.0 58.8 -60.9 -18.3 26.5 44.9 -9.0 58 63 A A T 3 S- 0 0 93 2,-0.1 -1,-0.3 0, 0.0 3,-0.1 0.339 120.6-105.1 -93.2 5.6 24.1 44.1 -11.8 59 64 A G < + 0 0 57 -3,-2.1 2,-0.5 1,-0.3 -2,-0.1 0.551 69.7 148.0 84.6 7.4 21.5 46.6 -10.6 60 65 A Q - 0 0 74 1,-0.0 -4,-1.7 32,-0.0 -1,-0.3 -0.661 37.9-144.7 -80.1 121.5 19.1 44.0 -9.1 61 66 A E E -B 55 0A 78 -2,-0.5 2,-0.3 -6,-0.2 -6,-0.3 -0.552 16.1-161.9 -85.2 150.7 17.3 45.5 -6.1 62 67 A Y E -B 54 0A 9 -8,-2.8 -9,-2.3 -2,-0.2 -8,-1.4 -0.921 19.7-130.9-132.4 158.0 16.4 43.3 -3.1 63 68 A E E -c 94 0B 9 30,-1.9 32,-3.1 -2,-0.3 2,-0.5 -0.911 29.9-153.8-104.8 133.2 14.1 43.4 -0.2 64 69 A L E +c 95 0B 26 -2,-0.5 2,-0.4 30,-0.2 32,-0.2 -0.949 16.0 177.8-119.6 129.9 15.9 42.6 3.1 65 70 A K E -c 96 0B 33 30,-2.7 32,-3.1 -2,-0.5 2,-0.3 -0.980 6.8-169.3-127.7 137.7 14.4 41.1 6.2 66 71 A S E -c 97 0B 68 -2,-0.4 10,-0.4 30,-0.2 2,-0.3 -0.879 2.8-172.4-126.8 160.4 16.3 40.2 9.4 67 72 A I E -c 98 0B 14 30,-1.5 32,-3.1 -2,-0.3 2,-0.9 -0.995 26.9-133.3-152.9 143.8 15.4 38.3 12.5 68 73 A N E >> -c 99 0B 33 -2,-0.3 3,-2.1 30,-0.2 4,-2.1 -0.889 23.0-154.3 -97.0 104.2 17.0 37.5 15.9 69 74 A I T 34 S+ 0 0 47 30,-3.0 31,-0.2 -2,-0.9 -1,-0.1 0.726 89.9 57.7 -53.6 -25.0 16.4 33.8 16.1 70 75 A D T 34 S+ 0 0 104 29,-0.3 -1,-0.3 1,-0.1 3,-0.1 0.660 114.1 36.2 -81.9 -14.9 16.4 33.9 19.9 71 76 A L T <4 S+ 0 0 140 -3,-2.1 2,-0.3 1,-0.3 -2,-0.2 0.768 124.0 10.2-107.0 -34.8 13.6 36.4 20.1 72 77 A T < - 0 0 54 -4,-2.1 -1,-0.3 1,-0.0 3,-0.1 -0.929 44.1-152.3-143.0 167.9 11.2 35.5 17.3 73 78 A K S S+ 0 0 163 -2,-0.3 68,-1.9 1,-0.1 2,-0.4 0.148 76.4 68.8-126.8 16.7 10.5 32.8 14.7 74 79 A G E S-F 140 0C 8 66,-0.2 2,-0.2 67,-0.1 -1,-0.1 -0.987 72.2-130.6-143.0 131.5 8.8 34.9 12.0 75 80 A F E -F 139 0C 0 64,-2.4 64,-2.1 -2,-0.4 2,-0.1 -0.565 29.1-130.3 -76.0 139.5 10.1 37.6 9.7 76 81 A S - 0 0 48 -10,-0.4 62,-0.1 -2,-0.2 -1,-0.1 -0.482 23.8-177.4 -86.4 161.9 7.9 40.7 9.6 77 82 A T - 0 0 11 60,-0.2 2,-0.3 -2,-0.1 -1,-0.1 0.574 54.0 -30.8-120.5 -85.5 6.7 42.3 6.4 78 83 A H > - 0 0 72 59,-0.2 3,-0.9 56,-0.1 58,-0.4 -0.975 41.7-138.3-147.8 129.5 4.7 45.5 6.4 79 84 A H T 3 S+ 0 0 128 -2,-0.3 57,-0.4 1,-0.3 2,-0.3 0.832 104.7 41.9 -57.2 -35.2 2.3 46.7 9.1 80 85 A H T 3 S- 0 0 120 55,-0.2 -1,-0.3 -3,-0.1 5,-0.2 -0.456 83.6-171.5-113.2 60.7 -0.3 48.0 6.6 81 86 A M B < +G 134 0D 0 53,-1.9 53,-1.2 -3,-0.9 -2,-0.0 -0.262 20.0 146.7 -55.3 125.8 -0.2 45.1 4.0 82 87 A N > - 0 0 31 51,-0.2 4,-2.3 -2,-0.0 3,-0.3 -0.946 62.3 -89.7-152.9 168.7 -2.2 46.0 0.9 83 88 A P H > S+ 0 0 22 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.758 119.9 60.3 -56.4 -27.9 -2.1 45.2 -2.9 84 89 A V H > S+ 0 0 108 2,-0.2 4,-1.3 1,-0.2 5,-0.1 0.967 110.6 39.3 -65.2 -51.7 0.1 48.3 -3.6 85 90 A I H > S+ 0 0 32 -3,-0.3 4,-2.6 1,-0.2 3,-0.4 0.925 114.3 54.6 -62.4 -46.6 2.9 47.1 -1.3 86 91 A I H X S+ 0 0 1 -4,-2.3 4,-2.4 1,-0.3 -1,-0.2 0.897 102.8 56.7 -55.1 -43.6 2.4 43.5 -2.5 87 92 A A H X S+ 0 0 52 -4,-2.2 4,-0.6 1,-0.2 -1,-0.3 0.892 109.8 45.9 -56.4 -39.3 2.8 44.6 -6.1 88 93 A K H >< S+ 0 0 86 -4,-1.3 3,-1.3 -3,-0.4 4,-0.5 0.937 109.7 53.8 -68.5 -46.5 6.2 46.0 -5.2 89 94 A Y H >< S+ 0 0 13 -4,-2.6 3,-1.1 1,-0.3 -2,-0.2 0.841 100.4 62.5 -55.3 -38.4 7.2 42.9 -3.2 90 95 A R H 3< S+ 0 0 68 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.764 95.5 61.3 -60.7 -28.4 6.5 40.7 -6.3 91 96 A Q T << S+ 0 0 149 -3,-1.3 -1,-0.2 -4,-0.6 -2,-0.2 0.664 101.5 52.9 -76.4 -17.9 9.1 42.5 -8.3 92 97 A V S < S- 0 0 8 -3,-1.1 -30,-0.2 -4,-0.5 2,-0.1 -0.894 75.6-118.5-128.6 151.8 12.2 41.6 -6.2 93 98 A P - 0 0 5 0, 0.0 -30,-1.9 0, 0.0 2,-0.4 -0.475 36.8-128.0 -76.5 155.3 13.9 38.6 -4.6 94 99 A W E -cD 63 110B 0 16,-2.5 16,-2.3 -32,-0.2 2,-0.5 -0.882 9.8-151.6-110.7 140.3 14.2 38.7 -0.8 95 100 A I E -cD 64 109B 3 -32,-3.1 -30,-2.7 -2,-0.4 2,-0.5 -0.933 12.8-161.9-107.8 129.0 17.2 38.3 1.3 96 101 A F E -cD 65 108B 0 12,-3.0 12,-2.3 -2,-0.5 2,-0.5 -0.958 3.3-163.0-116.5 116.4 16.5 36.8 4.8 97 102 A A E -cD 66 107B 0 -32,-3.1 -30,-1.5 -2,-0.5 2,-0.6 -0.841 1.9-159.6-103.2 131.5 19.1 37.2 7.5 98 103 A I E -cD 67 106B 9 8,-3.0 7,-3.7 -2,-0.5 8,-1.5 -0.931 13.8-176.9-114.9 114.1 19.2 35.1 10.6 99 104 A Y E -cD 68 104B 10 -32,-3.1 -30,-3.0 -2,-0.6 2,-0.4 -0.714 21.9-158.8-107.5 159.3 21.0 36.4 13.6 100 105 A R E > S- D 0 103B 127 3,-2.4 3,-1.7 -2,-0.3 2,-0.4 -0.940 79.0 -40.5-133.6 103.1 21.7 35.0 17.0 101 106 A G T 3 S- 0 0 31 -2,-0.4 -2,-0.1 1,-0.3 -31,-0.1 -0.614 125.3 -27.1 74.2-126.6 22.6 37.9 19.3 102 107 A I T 3 S+ 0 0 3 -2,-0.4 2,-0.4 -3,-0.1 -1,-0.3 0.445 119.5 97.5-100.0 -1.9 24.7 40.2 17.2 103 108 A A E < S-D 100 0B 19 -3,-1.7 -3,-2.4 66,-0.0 2,-0.3 -0.735 74.5-124.1 -97.9 136.7 26.1 37.5 15.0 104 109 A I E +D 99 0B 15 -2,-0.4 -5,-0.3 -5,-0.2 3,-0.1 -0.574 29.8 175.2 -73.4 128.0 24.9 36.4 11.6 105 110 A E E - 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