==== 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 05-OCT-06 2IN0 . 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) . 6880.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 100 71.9 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 . 63 45.3 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 . 15 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 7.9 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 0 1 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 15 0, 0.0 69,-2.4 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 154.6 -4.5 -4.3 16.1 2 2 A L E -AB 69 120A 0 118,-3.0 118,-3.1 67,-0.2 67,-0.2 -0.839 360.0-112.5-107.5 143.7 -3.9 -0.5 16.2 3 3 A A E > - B 0 119A 0 65,-2.6 3,-2.1 -2,-0.4 16,-0.2 -0.271 34.9 -92.6 -75.0 155.6 -6.3 2.1 15.1 4 4 A E T 3 S+ 0 0 81 114,-1.9 -1,-0.1 1,-0.3 3,-0.1 -0.405 116.4 39.0 -60.1 139.3 -6.0 4.5 12.2 5 5 A G T 3 S+ 0 0 28 1,-0.3 -1,-0.3 -3,-0.1 2,-0.2 0.152 78.2 139.4 101.5 -19.7 -4.4 7.7 13.7 6 6 A T < - 0 0 4 -3,-2.1 13,-2.8 62,-0.1 2,-0.4 -0.413 48.5-136.0 -61.4 125.7 -2.0 5.8 16.0 7 7 A R E -E 18 0B 132 11,-0.2 126,-3.0 -2,-0.2 2,-0.5 -0.715 17.2-163.5 -92.3 136.2 1.3 7.6 15.8 8 8 A I E -EF 17 132B 0 9,-3.4 9,-2.7 -2,-0.4 2,-0.4 -0.966 11.2-140.7-123.5 123.6 4.6 5.7 15.5 9 9 A F E -E 16 0B 45 122,-0.8 23,-0.7 -2,-0.5 122,-0.3 -0.688 5.1-153.5 -86.7 127.3 8.0 7.2 16.2 10 10 A D > - 0 0 4 5,-2.3 4,-2.7 -2,-0.4 5,-0.4 -0.878 4.5-165.4 -99.1 106.2 10.9 6.2 14.0 11 11 A P T 4 S+ 0 0 44 0, 0.0 -1,-0.1 0, 0.0 20,-0.1 0.708 84.4 56.4 -65.9 -20.0 14.1 6.6 16.1 12 12 A V T 4 S+ 0 0 89 1,-0.1 19,-0.0 3,-0.1 -2,-0.0 0.937 123.5 20.1 -77.9 -49.7 16.3 6.5 13.1 13 13 A T T 4 S- 0 0 85 2,-0.2 -1,-0.1 17,-0.1 3,-0.1 0.694 96.6-130.8 -91.8 -20.7 14.8 9.4 11.1 14 14 A G < + 0 0 44 -4,-2.7 2,-0.3 1,-0.3 -5,-0.0 0.565 62.1 138.3 80.2 9.4 13.2 11.0 14.1 15 15 A T - 0 0 67 -5,-0.4 -5,-2.3 -6,-0.0 2,-0.5 -0.697 48.0-142.5 -92.4 139.2 10.0 11.2 12.1 16 16 A T E -E 9 0B 77 -2,-0.3 2,-0.3 -7,-0.2 -7,-0.2 -0.887 22.2-170.0-102.9 126.0 6.5 10.4 13.5 17 17 A H E -E 8 0B 34 -9,-2.7 -9,-3.4 -2,-0.5 2,-0.5 -0.780 25.5-122.1-114.4 155.9 4.1 8.5 11.2 18 18 A R E >> -E 7 0B 134 -2,-0.3 4,-1.5 -11,-0.2 3,-1.1 -0.832 29.3-129.4 -92.4 132.7 0.4 7.6 11.3 19 19 A I H 3> S+ 0 0 0 -13,-2.8 4,-2.4 -2,-0.5 5,-0.3 0.826 104.2 58.9 -55.6 -36.6 0.1 3.9 11.1 20 20 A E H 3> S+ 0 0 8 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.846 107.7 48.5 -64.0 -29.5 -2.5 3.9 8.3 21 21 A D H <> S+ 0 0 56 -3,-1.1 4,-1.7 2,-0.2 6,-0.3 0.849 109.0 52.6 -76.1 -33.3 0.0 5.8 6.1 22 22 A V H <>S+ 0 0 0 -4,-1.5 5,-1.9 2,-0.2 -2,-0.2 0.904 117.5 37.7 -67.0 -42.2 2.8 3.4 7.0 23 23 A V H ><5S+ 0 0 11 -4,-2.4 3,-1.2 3,-0.2 -2,-0.2 0.947 118.0 46.8 -75.4 -51.9 0.7 0.4 5.9 24 24 A D H 3<5S+ 0 0 89 -4,-2.3 -2,-0.2 1,-0.3 -3,-0.2 0.832 123.0 37.9 -59.9 -32.4 -1.1 1.9 2.9 25 25 A G T 3<5S- 0 0 45 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.354 101.2-133.6-100.2 5.6 2.2 3.3 1.7 26 26 A R T < 5 - 0 0 157 -3,-1.2 -3,-0.2 1,-0.2 -4,-0.1 0.865 36.0-170.2 42.1 45.3 4.3 0.2 2.7 27 27 A K < - 0 0 85 -5,-1.9 2,-1.6 -6,-0.3 -1,-0.2 -0.504 24.7-135.0 -72.2 129.3 6.8 2.6 4.2 28 28 A P + 0 0 105 0, 0.0 -1,-0.1 0, 0.0 18,-0.0 -0.323 48.9 155.0 -78.7 51.8 10.2 1.0 5.4 29 29 A I - 0 0 8 -2,-1.6 16,-2.4 15,-0.1 2,-0.3 -0.256 39.2-131.9 -79.9 167.6 10.3 2.8 8.7 30 30 A H E -M 44 0C 63 14,-0.2 2,-0.3 94,-0.1 -17,-0.1 -0.765 22.5-163.5-110.0 160.9 12.1 1.8 11.9 31 31 A V E -M 43 0C 0 12,-2.4 12,-2.3 -2,-0.3 2,-0.7 -0.891 30.8 -98.5-138.1 167.5 10.4 1.9 15.2 32 32 A V E -M 42 0C 6 -23,-0.7 99,-0.6 -2,-0.3 2,-0.3 -0.838 47.9-168.6 -90.0 120.0 11.5 1.8 18.8 33 33 A A E -M 41 0C 0 8,-4.5 8,-3.2 -2,-0.7 2,-0.4 -0.798 14.9-133.7-109.9 155.1 11.1 -1.8 19.9 34 34 A A E -M 40 0C 4 -2,-0.3 6,-0.2 6,-0.2 5,-0.1 -0.916 15.8-145.4-111.0 132.3 11.3 -3.3 23.4 35 35 A A > - 0 0 17 4,-3.3 3,-0.8 -2,-0.4 92,-0.0 -0.147 32.8-100.4 -80.7-176.3 13.3 -6.4 24.1 36 36 A K T 3 S+ 0 0 202 1,-0.2 -1,-0.1 2,-0.1 -2,-0.0 0.858 123.5 56.7 -74.9 -35.2 12.3 -9.0 26.7 37 37 A D T 3 S- 0 0 122 1,-0.1 -1,-0.2 2,-0.1 -2,-0.0 0.321 122.5-107.1 -78.4 8.5 14.8 -7.6 29.2 38 38 A G S < S+ 0 0 24 -3,-0.8 -1,-0.1 1,-0.3 -2,-0.1 0.048 74.6 136.4 92.1 -27.3 13.0 -4.2 28.9 39 39 A T - 0 0 66 -5,-0.1 -4,-3.3 1,-0.1 2,-0.4 -0.177 50.0-128.6 -57.6 146.7 15.7 -2.4 26.8 40 40 A L E +M 34 0C 41 -6,-0.2 2,-0.3 61,-0.1 -6,-0.2 -0.788 31.3 171.5-100.2 141.9 14.6 -0.3 23.9 41 41 A H E -M 33 0C 72 -8,-3.2 -8,-4.5 -2,-0.4 2,-0.4 -0.977 35.7-107.9-146.6 156.9 16.1 -0.7 20.4 42 42 A A E +M 32 0C 44 -2,-0.3 -10,-0.2 -10,-0.2 -32,-0.1 -0.735 43.2 171.9 -87.4 131.7 15.5 0.5 16.9 43 43 A R E -M 31 0C 56 -12,-2.3 -12,-2.4 -2,-0.4 2,-0.2 -0.992 28.8-113.3-140.9 148.2 14.2 -2.2 14.6 44 44 A P E -M 30 0C 34 0, 0.0 81,-2.6 0, 0.0 2,-0.5 -0.492 21.7-123.2 -84.0 152.0 12.8 -2.2 11.0 45 45 A V E +C 124 0A 7 -16,-2.4 79,-0.2 79,-0.2 3,-0.1 -0.802 31.5 173.3 -88.7 128.0 9.2 -2.9 9.9 46 46 A V E + 0 0 62 77,-2.7 2,-0.3 -2,-0.5 78,-0.1 0.426 60.7 34.5-117.3 -2.7 9.3 -5.8 7.4 47 47 A S E -C 123 0A 32 76,-0.8 76,-2.2 2,-0.0 2,-0.4 -0.987 63.4-152.3-153.0 143.8 5.6 -6.5 6.9 48 48 A W E -C 122 0A 48 -2,-0.3 2,-0.5 74,-0.2 74,-0.2 -0.969 9.3-165.7-122.8 131.7 2.5 -4.3 6.7 49 49 A F E -C 121 0A 76 72,-2.6 72,-2.0 -2,-0.4 2,-0.8 -0.952 14.2-162.2-126.2 124.5 -1.1 -5.4 7.6 50 50 A D E -C 120 0A 78 -2,-0.5 70,-0.2 70,-0.2 3,-0.1 -0.884 13.2-176.3 -97.0 107.2 -4.4 -3.7 6.9 51 51 A Q E - 0 0 58 68,-2.3 69,-0.2 -2,-0.8 -1,-0.1 0.444 32.2-129.7 -86.9 -2.1 -6.7 -5.5 9.3 52 52 A G E -C 119 0A 25 67,-0.6 67,-2.6 2,-0.0 2,-0.4 -0.299 49.3 -28.3 83.9-171.5 -9.9 -3.7 8.2 53 53 A T E S+C 118 0A 77 65,-0.3 2,-0.3 -3,-0.1 65,-0.2 -0.693 72.3 149.5 -88.0 129.4 -12.5 -2.0 10.3 54 54 A R E -C 117 0A 91 63,-2.3 63,-1.4 -2,-0.4 2,-0.3 -0.922 50.3 -79.9-147.4 171.0 -12.9 -3.2 13.9 55 55 A D E -C 116 0A 65 -2,-0.3 2,-0.4 61,-0.2 61,-0.2 -0.609 45.0-173.5 -78.2 132.8 -13.8 -2.0 17.4 56 56 A V E -C 115 0A 0 59,-2.2 59,-1.5 -2,-0.3 14,-0.3 -0.984 10.5-150.3-128.8 139.2 -11.0 -0.2 19.2 57 57 A I E - D 0 69A 18 12,-2.9 12,-1.9 -2,-0.4 2,-0.4 -0.650 17.8-124.2-101.6 163.2 -11.0 1.0 22.8 58 58 A G E -CD 112 68A 0 54,-1.0 54,-3.2 -2,-0.2 2,-0.7 -0.926 11.7-161.0-116.4 135.1 -9.1 4.0 24.1 59 59 A L E -CD 111 67A 4 8,-2.6 8,-1.9 -2,-0.4 2,-0.6 -0.907 13.2-157.9-112.6 101.5 -6.5 4.1 26.9 60 60 A R E -CD 110 66A 68 50,-2.8 49,-3.1 -2,-0.7 50,-1.6 -0.702 16.0-153.3 -80.1 120.4 -6.1 7.7 28.1 61 61 A I E > -C 108 0A 6 4,-3.1 3,-2.9 -2,-0.6 47,-0.2 -0.666 27.5 -88.5-100.5 152.6 -2.8 7.9 29.9 62 62 A A T 3 S+ 0 0 46 45,-2.7 3,-0.2 1,-0.3 -1,-0.1 -0.314 118.8 41.2 -52.8 130.3 -1.6 10.3 32.6 63 63 A G T 3 S- 0 0 88 1,-0.1 -1,-0.3 -3,-0.1 -3,-0.0 -0.024 127.3 -84.6 115.3 -29.3 -0.3 13.3 30.6 64 64 A G S < S+ 0 0 27 -3,-2.9 -2,-0.1 1,-0.3 -1,-0.1 0.210 83.6 132.8 116.1 -16.5 -3.1 13.3 28.1 65 65 A A - 0 0 45 -3,-0.2 -4,-3.1 -4,-0.2 2,-0.4 -0.239 37.2-157.0 -66.2 157.2 -2.0 10.8 25.4 66 66 A I E - D 0 60A 24 -6,-0.2 2,-0.5 2,-0.0 -6,-0.2 -0.970 7.8-156.9-144.1 127.6 -4.4 8.2 24.2 67 67 A L E - D 0 59A 3 -8,-1.9 -8,-2.6 -2,-0.4 2,-0.6 -0.878 6.0-161.5-103.4 128.3 -3.9 4.8 22.6 68 68 A W E + D 0 58A 52 -2,-0.5 -65,-2.6 -10,-0.2 2,-0.3 -0.943 30.5 141.1-111.5 113.8 -6.7 3.3 20.4 69 69 A A E -AD 2 57A 2 -12,-1.9 -12,-2.9 -2,-0.6 -67,-0.2 -0.931 56.2 -83.7-144.5 166.3 -6.3 -0.4 19.9 70 70 A T > - 0 0 5 -69,-2.4 3,-1.8 -2,-0.3 14,-0.3 -0.349 48.1-109.8 -66.8 155.6 -8.5 -3.5 19.7 71 71 A P T 3 S+ 0 0 59 0, 0.0 14,-3.1 0, 0.0 15,-0.3 0.742 118.2 53.0 -61.8 -20.1 -9.3 -5.0 23.1 72 72 A D T 3 S+ 0 0 102 12,-0.2 2,-0.2 11,-0.2 -2,-0.0 0.442 79.2 116.1 -95.5 2.0 -7.1 -8.0 22.4 73 73 A H < - 0 0 9 -3,-1.8 11,-2.9 -72,-0.2 2,-0.3 -0.526 68.2-121.5 -72.3 134.7 -4.0 -5.9 21.5 74 74 A K E -G 83 0B 110 9,-0.2 64,-2.3 -2,-0.2 2,-0.4 -0.588 27.9-171.8 -84.0 137.3 -1.2 -6.5 24.0 75 75 A V E -GH 82 137B 0 7,-2.6 7,-2.3 -2,-0.3 2,-0.6 -0.952 28.0-117.4-125.1 142.1 0.4 -3.7 26.0 76 76 A L E +G 81 0B 19 60,-2.5 18,-2.8 -2,-0.4 60,-0.2 -0.712 46.3 172.1 -81.0 122.1 3.5 -3.8 28.2 77 77 A T E > -GI 80 93B 3 3,-1.9 3,-2.1 -2,-0.6 16,-0.2 -0.684 51.5 -90.4-123.9 177.8 2.4 -3.0 31.7 78 78 A E T 3 S+ 0 0 53 14,-2.1 15,-0.1 1,-0.3 3,-0.1 0.679 130.1 45.0 -61.8 -18.5 3.9 -3.0 35.3 79 79 A Y T 3 S- 0 0 164 1,-0.5 -1,-0.3 13,-0.3 2,-0.2 0.074 124.6 -97.0-113.7 23.7 2.6 -6.6 35.5 80 80 A G E < S-G 77 0B 28 -3,-2.1 -3,-1.9 2,-0.1 -1,-0.5 -0.498 73.8 -11.9 96.9-167.5 3.9 -7.7 32.1 81 81 A W E +G 76 0B 99 -5,-0.2 2,-0.3 -2,-0.2 -5,-0.2 -0.529 69.4 166.7 -73.7 132.1 2.1 -8.1 28.8 82 82 A R E -G 75 0B 74 -7,-2.3 -7,-2.6 -2,-0.3 2,-0.1 -0.999 41.1 -98.0-148.2 146.6 -1.7 -7.8 29.0 83 83 A A E >> -G 74 0B 23 -2,-0.3 3,-2.3 -9,-0.2 4,-0.7 -0.379 32.6-126.9 -63.6 136.1 -4.6 -7.3 26.6 84 84 A A G >4 S+ 0 0 1 -11,-2.9 3,-1.1 -14,-0.3 -12,-0.2 0.847 108.0 63.9 -51.8 -38.1 -5.7 -3.6 26.4 85 85 A G G 34 S+ 0 0 25 -14,-3.1 -1,-0.3 1,-0.2 -13,-0.1 0.615 98.7 52.6 -65.0 -14.4 -9.2 -4.8 27.2 86 86 A E G <4 S+ 0 0 105 -3,-2.3 -1,-0.2 -15,-0.3 -2,-0.2 0.612 88.8 102.3 -95.5 -13.5 -8.2 -6.1 30.6 87 87 A L << - 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0 0 131 -6,-0.1 -5,-3.3 -5,-0.1 2,-0.5 -0.462 49.4-122.6 -76.0 145.0 13.7 7.0 28.6 103 404 A L E +J 96 0B 57 -7,-0.2 2,-0.3 -2,-0.2 -7,-0.2 -0.766 43.0 154.3 -91.5 128.6 11.3 4.3 29.5 104 405 A R E -J 95 0B 111 -9,-2.6 -9,-3.1 -2,-0.5 2,-0.4 -0.822 38.4-114.5-139.0 178.3 8.9 5.0 32.4 105 406 A Y E -J 94 0B 80 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.2 -0.985 27.2-173.1-126.2 129.9 5.5 3.8 33.5 106 407 A S E -J 93 0B 14 -13,-2.2 -13,-2.8 -2,-0.4 2,-0.1 -0.922 24.7-112.4-122.6 147.5 2.4 6.0 33.6 107 408 A V E -J 92 0B 61 -2,-0.3 -45,-2.7 -15,-0.3 2,-0.5 -0.421 28.9-113.5 -77.6 149.3 -1.1 5.3 35.0 108 409 A I E - C 0 61A 1 -17,-2.2 -18,-2.4 -20,-0.3 -47,-0.3 -0.723 25.9-167.4 -80.4 127.1 -4.1 4.9 32.8 109 410 A R E - 0 0 124 -49,-3.1 2,-0.3 -2,-0.5 -48,-0.2 0.829 66.9 -4.1 -84.8 -37.4 -6.4 7.9 33.6 110 411 A E E - C 0 60A 84 -50,-1.6 -50,-2.8 -22,-0.1 2,-0.6 -0.991 54.9-138.1-158.9 147.5 -9.4 6.5 31.8 111 412 A V E - C 0 59A 53 -2,-0.3 -52,-0.2 -52,-0.2 -22,-0.1 -0.949 30.3-149.5-108.9 117.9 -10.6 3.6 29.6 112 413 A L E - 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