==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 06-OCT-06 2IN8 . COMPND 2 MOLECULE: ENDONUCLEASE PI-MTUI; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR P.VAN ROEY . 139 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6899.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 101 72.7 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 . 62 44.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 1.4 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 . 18 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 8 5.8 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+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 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 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 . 5 1 1 3 2 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 1 0 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 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 C 0 0 18 0, 0.0 69,-2.3 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 151.4 4.2 3.9 7.3 2 2 A L E -AB 69 120A 0 118,-2.7 118,-3.0 67,-0.2 67,-0.2 -0.846 360.0-112.0-106.0 136.9 3.7 0.2 7.7 3 3 A A E > - B 0 119A 0 65,-2.6 3,-1.8 -2,-0.4 116,-0.2 -0.085 39.0 -86.8 -63.0 159.1 6.3 -2.4 6.7 4 4 A E T 3 S+ 0 0 87 114,-1.6 -1,-0.1 1,-0.3 3,-0.1 -0.427 117.7 36.2 -62.3 140.5 6.0 -4.9 3.9 5 5 A G T 3 S+ 0 0 21 1,-0.3 -1,-0.3 -3,-0.1 2,-0.2 0.257 77.1 144.6 96.6 -12.6 4.2 -7.9 5.2 6 6 A T < - 0 0 3 -3,-1.8 13,-2.7 62,-0.1 2,-0.4 -0.449 45.4-136.1 -62.9 123.7 1.9 -6.0 7.5 7 7 A R E -E 18 0B 115 -2,-0.2 126,-3.1 11,-0.2 2,-0.5 -0.720 17.5-163.9 -90.5 132.7 -1.4 -8.0 7.5 8 8 A I E -EF 17 132B 0 9,-3.4 9,-3.0 -2,-0.4 2,-0.4 -0.957 11.6-140.3-119.6 123.2 -4.7 -6.1 7.3 9 9 A F E -E 16 0B 50 122,-0.8 23,-0.5 -2,-0.5 122,-0.3 -0.656 7.0-150.9 -83.7 128.6 -8.1 -7.7 8.1 10 10 A D > - 0 0 6 5,-2.6 4,-2.7 -2,-0.4 5,-0.4 -0.882 4.5-164.2 -99.7 109.6 -11.0 -6.8 5.9 11 11 A P T 4 S+ 0 0 46 0, 0.0 -1,-0.1 0, 0.0 20,-0.1 0.704 85.1 55.1 -66.2 -21.0 -14.2 -7.0 8.0 12 12 A V T 4 S+ 0 0 91 3,-0.1 19,-0.0 1,-0.1 -2,-0.0 0.934 124.1 20.1 -79.0 -48.9 -16.5 -7.1 5.0 13 13 A T T 4 S- 0 0 85 2,-0.2 3,-0.1 17,-0.1 -1,-0.1 0.703 96.1-130.1 -92.3 -22.8 -15.0 -10.1 3.2 14 14 A G < + 0 0 44 -4,-2.7 2,-0.3 1,-0.3 -5,-0.0 0.566 63.7 136.1 82.4 8.0 -13.2 -11.5 6.2 15 15 A T - 0 0 70 -5,-0.4 -5,-2.6 -6,-0.1 2,-0.5 -0.691 49.3-141.5 -92.0 143.1 -10.1 -11.7 4.1 16 16 A T E -E 9 0B 78 -2,-0.3 2,-0.3 -7,-0.2 -7,-0.2 -0.912 21.2-165.6-106.9 124.3 -6.7 -10.7 5.5 17 17 A H E -E 8 0B 34 -9,-3.0 -9,-3.4 -2,-0.5 2,-0.4 -0.783 23.5-122.3-111.5 152.4 -4.3 -8.9 3.0 18 18 A R E >> -E 7 0B 104 -2,-0.3 4,-1.6 -11,-0.2 3,-1.5 -0.774 29.5-129.1 -87.2 133.7 -0.6 -8.1 3.0 19 19 A I H 3> S+ 0 0 0 -13,-2.7 4,-2.0 -2,-0.4 5,-0.2 0.797 104.3 59.4 -55.7 -32.7 -0.3 -4.3 2.7 20 20 A E H 3> S+ 0 0 23 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.749 107.3 47.0 -69.9 -22.4 2.1 -4.5 -0.2 21 21 A D H <> S+ 0 0 80 -3,-1.5 4,-1.9 2,-0.2 6,-0.2 0.831 108.6 54.4 -84.4 -35.0 -0.4 -6.4 -2.3 22 22 A V H <>S+ 0 0 0 -4,-1.6 5,-2.3 2,-0.2 4,-0.3 0.902 117.5 37.3 -62.4 -41.8 -3.2 -4.0 -1.4 23 23 A V H ><5S+ 0 0 14 -4,-2.0 3,-1.0 3,-0.2 -2,-0.2 0.942 115.3 51.8 -76.3 -50.3 -1.0 -1.1 -2.6 24 24 A G H 3<5S+ 0 0 69 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.809 122.3 33.3 -57.8 -30.1 0.6 -2.9 -5.6 25 25 A G T 3<5S- 0 0 47 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.396 101.7-129.4-107.2 3.5 -2.9 -3.9 -6.8 26 26 A R T < 5 - 0 0 153 -3,-1.0 -3,-0.2 -4,-0.3 -4,-0.1 0.933 37.8-171.8 46.3 52.1 -4.8 -0.8 -5.7 27 27 A K < - 0 0 84 -5,-2.3 2,-2.0 -6,-0.2 -1,-0.2 -0.647 23.9-140.0 -78.9 124.4 -7.3 -3.2 -4.0 28 28 A P + 0 0 97 0, 0.0 -1,-0.1 0, 0.0 18,-0.1 -0.347 44.1 161.4 -80.5 57.9 -10.3 -1.3 -2.7 29 29 A I - 0 0 9 -2,-2.0 16,-2.9 15,-0.1 2,-0.3 -0.210 37.1-124.8 -73.9 168.1 -10.5 -3.4 0.5 30 30 A H E -M 44 0C 62 14,-0.3 2,-0.3 94,-0.1 -17,-0.1 -0.771 26.4-164.1-107.0 158.6 -12.4 -2.4 3.6 31 31 A V E -M 43 0C 0 12,-2.3 12,-1.9 -2,-0.3 2,-0.7 -0.830 31.3 -99.9-134.5 171.3 -10.6 -2.3 6.9 32 32 A V E -M 42 0C 8 -23,-0.5 99,-0.7 -2,-0.3 2,-0.4 -0.897 49.6-169.5 -94.4 120.0 -11.6 -2.2 10.6 33 33 A A E -M 41 0C 0 8,-4.0 8,-3.2 -2,-0.7 2,-0.4 -0.878 14.9-136.2-114.0 148.4 -11.2 1.5 11.4 34 34 A A E -M 40 0C 3 -2,-0.4 6,-0.2 6,-0.2 -2,-0.0 -0.866 13.8-154.7-106.3 134.8 -11.4 3.1 14.8 35 35 A A - 0 0 18 4,-2.9 3,-0.3 -2,-0.4 -1,-0.1 0.062 36.4 -92.5 -84.1-158.1 -13.3 6.3 15.5 36 36 A K S S+ 0 0 192 1,-0.2 2,-0.7 2,-0.1 -1,-0.0 0.936 118.5 58.5 -84.0 -57.0 -12.5 8.8 18.2 37 37 A D S S- 0 0 110 1,-0.2 -1,-0.2 2,-0.0 -3,-0.0 0.197 123.1 -98.5 -62.8 19.8 -14.8 7.5 21.0 38 38 A G S S+ 0 0 29 -2,-0.7 2,-0.3 -3,-0.3 65,-0.2 0.696 80.3 135.4 72.1 20.4 -13.1 4.2 20.8 39 39 A T - 0 0 54 63,-0.1 -4,-2.9 64,-0.0 2,-0.3 -0.775 48.7-128.3-103.9 150.1 -15.6 2.4 18.6 40 40 A L E +M 34 0C 44 -2,-0.3 2,-0.3 -6,-0.2 -6,-0.2 -0.752 29.2 169.8 -98.6 141.1 -14.8 0.2 15.5 41 41 A H E -M 33 0C 69 -8,-3.2 -8,-4.0 -2,-0.3 2,-0.5 -0.969 36.6-108.2-144.2 157.6 -16.3 0.6 12.1 42 42 A A E +M 32 0C 43 -2,-0.3 -10,-0.2 -10,-0.2 -32,-0.1 -0.773 42.0 174.5 -90.0 129.5 -15.7 -0.8 8.6 43 43 A R E -M 31 0C 56 -12,-1.9 -12,-2.3 -2,-0.5 2,-0.1 -0.996 26.5-117.9-137.2 141.4 -14.3 1.8 6.2 44 44 A P E -M 30 0C 30 0, 0.0 81,-2.5 0, 0.0 2,-0.5 -0.459 21.6-120.6 -81.2 150.3 -13.0 1.5 2.6 45 45 A V E +C 124 0A 4 -16,-2.9 79,-0.2 79,-0.2 3,-0.1 -0.786 33.2 172.3 -87.5 124.0 -9.5 2.1 1.4 46 46 A V E + 0 0 55 77,-2.8 2,-0.3 -2,-0.5 78,-0.1 0.571 59.8 32.9-109.9 -16.4 -9.5 4.9 -1.2 47 47 A S E -C 123 0A 30 76,-0.9 76,-1.8 2,-0.0 2,-0.4 -0.982 61.9-153.5-141.4 154.5 -5.8 5.6 -1.9 48 48 A W E -C 122 0A 40 -2,-0.3 2,-0.4 74,-0.2 74,-0.2 -0.994 8.7-168.5-133.0 131.4 -2.7 3.6 -1.9 49 49 A F E -C 121 0A 91 72,-2.7 72,-2.3 -2,-0.4 2,-0.8 -0.971 15.9-155.0-128.6 126.4 0.9 4.7 -1.2 50 50 A D E -C 120 0A 89 -2,-0.4 70,-0.2 70,-0.2 -2,-0.0 -0.858 15.8-170.8 -92.6 112.0 4.2 3.0 -1.8 51 51 A Q E - 0 0 54 68,-2.6 69,-0.2 -2,-0.8 -1,-0.1 0.336 26.4-133.0 -90.0 6.2 6.5 4.7 0.7 52 52 A G E - 0 0 28 67,-0.5 67,-2.8 2,-0.0 2,-0.3 -0.136 48.8 -30.4 72.1-172.4 9.8 3.3 -0.4 53 53 A T E S+C 118 0A 75 65,-0.3 2,-0.3 63,-0.1 65,-0.2 -0.647 72.9 146.4 -86.6 133.8 12.4 1.8 1.9 54 54 A R E -C 117 0A 102 63,-2.1 63,-1.5 -2,-0.3 2,-0.4 -0.930 52.7 -74.8-153.7 173.4 12.8 3.1 5.5 55 55 A D E -C 116 0A 67 -2,-0.3 2,-0.4 61,-0.2 61,-0.2 -0.673 46.0-173.0 -78.8 127.4 13.6 2.1 9.1 56 56 A V E -C 115 0A 0 59,-2.2 59,-1.2 -2,-0.4 14,-0.3 -0.984 8.9-151.5-123.3 131.1 10.8 0.2 10.7 57 57 A I E - D 0 69A 17 12,-3.1 12,-1.9 -2,-0.4 2,-0.5 -0.637 15.5-125.0 -97.6 160.3 10.8 -0.8 14.4 58 58 A G E -CD 112 68A 0 54,-1.2 54,-3.9 -2,-0.2 2,-0.6 -0.905 14.8-165.9-113.1 132.3 9.1 -3.8 15.8 59 59 A L E -CD 111 67A 3 8,-2.6 8,-2.2 -2,-0.5 2,-0.6 -0.939 11.4-157.4-113.1 108.7 6.5 -3.9 18.6 60 60 A R E -CD 110 66A 87 50,-3.1 49,-3.1 -2,-0.6 50,-1.5 -0.783 15.9-158.9 -89.3 121.2 6.0 -7.4 20.0 61 61 A I E > -C 108 0A 4 4,-3.3 3,-2.6 -2,-0.6 47,-0.2 -0.670 30.9 -85.1-103.5 153.4 2.6 -7.6 21.7 62 62 A A T 3 S+ 0 0 31 45,-2.4 3,-0.2 1,-0.3 -1,-0.1 -0.313 119.6 38.9 -50.7 127.9 1.2 -10.0 24.3 63 63 A G T 3 S- 0 0 91 1,-0.1 -1,-0.3 -3,-0.1 -3,-0.0 0.172 126.5 -82.8 111.8 -17.4 -0.1 -12.9 22.2 64 64 A G S < S+ 0 0 48 -3,-2.6 -1,-0.1 1,-0.3 -2,-0.1 -0.023 82.5 135.4 112.3 -32.1 2.8 -13.0 19.6 65 65 A A - 0 0 37 -3,-0.2 -4,-3.3 -5,-0.1 2,-0.4 -0.169 35.2-161.7 -53.6 142.9 1.8 -10.3 17.1 66 66 A I E - D 0 60A 49 -6,-0.2 2,-0.5 2,-0.0 -6,-0.2 -0.977 4.2-154.4-132.3 117.6 4.6 -8.0 16.0 67 67 A L E - D 0 59A 2 -8,-2.2 -8,-2.6 -2,-0.4 2,-0.6 -0.804 6.4-161.3 -92.5 128.2 3.8 -4.6 14.4 68 68 A W E + D 0 58A 59 -2,-0.5 -65,-2.6 -10,-0.2 2,-0.3 -0.933 30.2 141.6-112.7 108.9 6.5 -3.3 12.1 69 69 A A E -AD 2 57A 1 -12,-1.9 -12,-3.1 -2,-0.6 -67,-0.2 -0.893 56.2 -84.7-140.7 169.4 6.2 0.4 11.4 70 70 A T > - 0 0 5 -69,-2.3 3,-2.6 -2,-0.3 14,-0.4 -0.496 47.4-111.4 -72.9 145.9 8.2 3.6 11.0 71 71 A P T 3 S+ 0 0 56 0, 0.0 14,-2.8 0, 0.0 15,-0.3 0.677 118.0 55.2 -53.6 -16.2 9.1 5.2 14.4 72 72 A D T 3 S+ 0 0 92 12,-0.2 2,-0.2 11,-0.2 -2,-0.0 0.544 79.1 117.4 -94.3 -7.1 6.8 8.1 13.5 73 73 A H < - 0 0 9 -3,-2.6 11,-2.6 -72,-0.2 2,-0.3 -0.408 67.1-122.5 -66.5 130.5 3.7 5.9 12.8 74 74 A K E -G 83 0B 102 9,-0.2 64,-2.6 -2,-0.2 2,-0.4 -0.583 29.7-175.1 -79.3 132.9 0.8 6.7 15.2 75 75 A V E -GH 82 137B 0 7,-2.7 7,-2.3 -2,-0.3 2,-0.5 -0.959 29.3-116.2-125.9 139.4 -0.6 3.8 17.2 76 76 A L E +G 81 0B 15 60,-2.0 18,-2.9 -2,-0.4 5,-0.2 -0.670 46.7 170.9 -78.7 124.1 -3.6 3.9 19.5 77 77 A T E > -GI 80 93B 4 3,-2.0 3,-2.1 -2,-0.5 16,-0.2 -0.685 53.0 -89.2-126.4 178.8 -2.5 3.3 23.1 78 78 A E T 3 S+ 0 0 51 14,-2.1 15,-0.1 1,-0.3 3,-0.1 0.674 130.9 44.9 -61.8 -16.4 -3.8 3.4 26.7 79 79 A Y T 3 S- 0 0 159 1,-0.5 -1,-0.3 13,-0.3 2,-0.1 -0.020 124.4 -96.8-117.0 28.0 -2.6 7.1 26.6 80 80 A G E < S-G 77 0B 29 -3,-2.1 -3,-2.0 2,-0.1 2,-0.6 -0.435 74.8 -15.2 91.5-167.8 -4.0 8.0 23.2 81 81 A W E S+G 76 0B 101 -5,-0.2 2,-0.3 -2,-0.1 -5,-0.2 -0.635 70.4 169.3 -79.0 118.9 -2.3 8.1 19.9 82 82 A R E -G 75 0B 67 -7,-2.3 -7,-2.7 -2,-0.6 2,-0.1 -0.905 40.8 -96.1-127.9 155.5 1.4 8.0 20.2 83 83 A A E >> -G 74 0B 16 -2,-0.3 3,-2.1 -9,-0.2 4,-0.5 -0.476 34.6-124.0 -69.0 140.5 4.3 7.6 17.7 84 84 A A G >4 S+ 0 0 1 -11,-2.6 3,-1.0 -14,-0.4 -12,-0.2 0.817 109.2 62.8 -55.0 -33.4 5.5 4.0 17.6 85 85 A G G 34 S+ 0 0 28 -14,-2.8 -1,-0.3 1,-0.2 -13,-0.1 0.584 97.4 56.7 -70.7 -10.6 9.0 5.1 18.4 86 86 A E G <4 S+ 0 0 102 -3,-2.1 -1,-0.2 -15,-0.3 -2,-0.2 0.598 85.8 103.9 -93.7 -14.8 7.9 6.5 21.8 87 87 A L << - 0 0 0 -3,-1.0 2,-0.3 -4,-0.5 3,-0.0 -0.424 49.5-173.6 -75.0 142.6 6.5 3.2 22.9 88 88 A R > - 0 0 144 -2,-0.1 3,-2.3 1,-0.1 20,-0.3 -0.857 39.3 -70.5-131.6 164.6 8.3 1.0 25.4 89 89 A K T 3 S+ 0 0 163 -2,-0.3 20,-0.2 1,-0.3 3,-0.1 -0.298 120.7 32.3 -52.5 128.9 7.9 -2.5 27.0 90 90 A G T 3 S+ 0 0 42 18,-2.3 -1,-0.3 1,-0.4 19,-0.1 -0.008 86.9 118.3 110.1 -31.3 5.0 -2.3 29.4 91 91 A D < - 0 0 29 -3,-2.3 17,-2.9 16,-0.1 2,-0.5 -0.397 61.0-129.8 -67.8 148.3 2.8 0.2 27.4 92 92 A R E - J 0 107B 107 15,-0.2 -14,-2.1 -3,-0.1 2,-0.3 -0.882 19.3-161.7-107.8 131.0 -0.5 -1.1 26.2 93 93 A V E -IJ 77 106B 1 13,-3.0 13,-2.9 -2,-0.5 2,-0.4 -0.747 28.1-103.0-106.4 155.6 -1.7 -0.8 22.7 94 94 A A E - J 0 105B 0 -18,-2.9 42,-2.5 -2,-0.3 2,-0.3 -0.628 44.6-179.8 -79.5 130.2 -5.2 -1.1 21.3 95 95 A V E -KJ 135 104B 13 9,-2.9 9,-2.0 -2,-0.4 2,-0.6 -0.939 29.3-122.7-130.9 152.7 -5.9 -4.4 19.6 96 96 A R E - J 0 103B 50 38,-2.5 2,-0.4 -2,-0.3 7,-0.2 -0.853 32.2-123.5 -95.4 123.5 -8.9 -6.0 17.9 97 97 A D > - 0 0 16 5,-3.2 4,-2.3 -2,-0.6 5,-0.1 -0.532 13.0-144.1 -67.4 124.4 -9.9 -9.3 19.5 98 98 A V T 4 S+ 0 0 125 -2,-0.4 -1,-0.2 1,-0.2 36,-0.0 0.714 96.5 40.0 -63.1 -20.6 -9.8 -11.9 16.7 99 99 A E T 4 S+ 0 0 178 3,-0.1 -1,-0.2 1,-0.0 -2,-0.0 0.891 127.0 26.4 -93.8 -50.7 -12.8 -13.7 18.3 100 100 A T T 4 S- 0 0 81 2,-0.2 -2,-0.2 1,-0.0 3,-0.1 0.651 88.6-135.8 -89.2 -18.0 -15.1 -10.9 19.5 101 101 A G < + 0 0 23 -4,-2.3 2,-0.2 1,-0.3 -3,-0.1 0.581 63.0 134.8 71.7 6.1 -14.1 -8.3 17.0 102 102 A E - 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