==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SPLICING 24-JUL-09 3IFJ . COMPND 2 MOLECULE: ENDONUCLEASE PI-MTUI; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR P.VAN ROEY,M.BELFORT . 276 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12708.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 194 70.3 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 . 119 43.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 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 . 29 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 17 6.2 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+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 1 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 . 8 2 4 4 4 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 4 0 0 2 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 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 8 0, 0.0 69,-2.4 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 148.7 -15.6 10.4 -23.8 2 2 A L E -AB 69 120A 2 118,-3.1 118,-3.4 67,-0.2 67,-0.2 -0.792 360.0-114.3-101.5 142.3 -16.4 12.3 -20.6 3 3 A A E > - B 0 119A 0 65,-2.8 3,-2.1 -2,-0.4 116,-0.2 -0.277 35.4 -85.7 -77.3 156.8 -16.1 16.1 -20.4 4 4 A E T 3 S+ 0 0 103 114,-2.4 -1,-0.1 1,-0.3 3,-0.1 -0.300 116.9 36.8 -52.8 135.3 -13.8 18.3 -18.3 5 5 A G T 3 S+ 0 0 24 1,-0.3 -1,-0.3 -3,-0.1 2,-0.1 0.215 77.3 143.2 102.6 -16.0 -15.5 18.7 -14.9 6 6 A T < - 0 0 4 -3,-2.1 13,-2.8 62,-0.1 2,-0.4 -0.399 47.8-131.9 -60.7 128.8 -16.9 15.3 -14.7 7 7 A R E -E 18 0B 104 11,-0.2 126,-2.5 -2,-0.1 2,-0.5 -0.719 20.2-167.8 -90.1 133.1 -16.7 14.1 -11.0 8 8 A I E -E 17 0B 0 9,-3.4 9,-3.1 -2,-0.4 2,-0.4 -0.974 11.4-146.4-122.8 116.5 -15.3 10.6 -10.3 9 9 A F E -E 16 0B 59 -2,-0.5 23,-0.5 122,-0.5 7,-0.2 -0.692 4.5-146.5 -86.2 128.3 -15.7 9.2 -6.8 10 10 A D > - 0 0 5 5,-2.7 4,-2.6 -2,-0.4 5,-0.3 -0.862 6.8-159.5 -94.1 111.7 -12.9 7.0 -5.4 11 11 A P T 4 S+ 0 0 44 0, 0.0 -1,-0.1 0, 0.0 20,-0.1 0.483 87.3 50.5 -70.4 -4.7 -14.7 4.3 -3.2 12 12 A V T 4 S+ 0 0 92 18,-0.2 19,-0.0 3,-0.1 -2,-0.0 0.834 123.1 25.4 -98.8 -45.9 -11.5 3.5 -1.3 13 13 A T T 4 S- 0 0 87 2,-0.2 3,-0.1 17,-0.1 -4,-0.0 0.734 94.7-131.8 -89.1 -27.0 -10.3 7.0 -0.3 14 14 A G < + 0 0 45 -4,-2.6 2,-0.3 1,-0.3 -5,-0.0 0.478 61.1 138.3 85.5 3.3 -13.8 8.7 -0.4 15 15 A T - 0 0 68 -5,-0.3 -5,-2.7 -6,-0.1 2,-0.5 -0.636 47.8-143.3 -85.7 137.2 -12.2 11.5 -2.5 16 16 A T E -E 9 0B 78 -2,-0.3 2,-0.3 -7,-0.2 -7,-0.2 -0.898 22.2-168.4-102.4 124.4 -14.1 12.9 -5.5 17 17 A H E -E 8 0B 34 -9,-3.1 -9,-3.4 -2,-0.5 2,-0.5 -0.717 24.1-123.3-110.1 158.6 -11.9 13.8 -8.4 18 18 A R E >> -E 7 0B 106 -2,-0.3 3,-1.6 -11,-0.2 4,-1.5 -0.895 29.0-127.7-100.3 129.3 -12.5 15.8 -11.6 19 19 A I H 3> S+ 0 0 0 -13,-2.8 4,-2.5 -2,-0.5 5,-0.2 0.801 104.6 60.1 -47.7 -39.5 -11.6 13.6 -14.5 20 20 A E H 3> S+ 0 0 26 1,-0.2 4,-2.6 2,-0.2 -1,-0.3 0.848 107.5 47.5 -61.3 -31.6 -9.2 16.1 -16.2 21 21 A D H <> S+ 0 0 76 -3,-1.6 4,-1.9 2,-0.2 6,-0.3 0.845 109.2 52.8 -76.7 -34.3 -7.0 16.0 -13.0 22 22 A V H X>S+ 0 0 0 -4,-1.5 5,-2.2 2,-0.2 4,-0.7 0.937 116.1 41.0 -64.8 -43.8 -7.1 12.2 -12.9 23 23 A V H ><5S+ 0 0 1 -4,-2.5 3,-0.5 3,-0.2 -2,-0.2 0.938 114.0 49.8 -69.6 -49.5 -5.9 12.1 -16.5 24 24 A D H 3<5S+ 0 0 99 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.866 121.1 35.9 -60.2 -36.5 -3.4 14.9 -16.4 25 25 A G H 3<5S- 0 0 49 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.522 101.0-131.8 -93.7 -5.3 -1.7 13.5 -13.3 26 26 A R T <<5 - 0 0 138 -4,-0.7 -3,-0.2 -3,-0.5 -4,-0.1 0.953 36.6-164.5 52.2 49.4 -2.2 9.8 -14.3 27 27 A K < - 0 0 83 -5,-2.2 2,-2.0 -6,-0.3 -1,-0.2 -0.524 20.9-136.3 -72.9 126.5 -3.6 9.4 -10.8 28 28 A P + 0 0 109 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.417 50.0 150.9 -80.5 64.0 -3.8 5.7 -9.7 29 29 A I - 0 0 11 -2,-2.0 16,-2.6 -7,-0.1 2,-0.3 -0.333 43.0-126.0 -89.5 173.2 -7.3 6.0 -8.1 30 30 A H E -F 44 0C 64 14,-0.3 2,-0.3 -2,-0.1 -18,-0.2 -0.821 26.2-171.3-112.6 156.3 -10.0 3.5 -7.7 31 31 A V E -F 43 0C 0 12,-2.6 12,-2.2 -2,-0.3 2,-0.5 -0.795 33.4 -91.8-136.1 177.2 -13.5 4.1 -8.9 32 32 A V E -F 42 0C 4 -23,-0.5 99,-1.9 99,-0.3 2,-0.4 -0.859 46.1-174.3 -95.5 132.1 -16.8 2.4 -8.6 33 33 A A E -F 41 0C 0 8,-3.2 8,-2.9 -2,-0.5 2,-0.4 -0.972 20.0-130.2-128.6 143.8 -17.4 -0.1 -11.4 34 34 A A E -F 40 0C 6 -2,-0.4 6,-0.2 6,-0.2 2,-0.1 -0.773 21.6-149.0 -95.3 134.9 -20.5 -2.2 -12.2 35 35 A A > - 0 0 25 4,-2.9 3,-1.7 -2,-0.4 92,-0.0 -0.324 36.5 -86.2 -91.5-179.7 -20.1 -5.9 -12.9 36 36 A K T 3 S+ 0 0 120 1,-0.3 -2,-0.0 2,-0.1 -1,-0.0 0.878 126.3 50.3 -53.5 -46.5 -22.2 -8.2 -15.1 37 37 A D T 3 S- 0 0 117 1,-0.1 -1,-0.3 2,-0.0 3,-0.1 0.305 120.8-104.0 -78.9 8.0 -24.8 -8.9 -12.5 38 38 A G S < S+ 0 0 29 -3,-1.7 65,-0.2 1,-0.3 2,-0.2 0.524 77.4 135.4 83.9 2.7 -25.3 -5.3 -11.7 39 39 A T - 0 0 60 63,-0.1 -4,-2.9 1,-0.0 2,-0.3 -0.527 51.6-124.8 -81.8 155.7 -23.3 -5.3 -8.4 40 40 A L E +F 34 0C 34 -6,-0.2 2,-0.3 -2,-0.2 -6,-0.2 -0.814 30.4 176.9-105.4 144.3 -20.9 -2.5 -7.8 41 41 A H E -F 33 0C 73 -8,-2.9 -8,-3.2 -2,-0.3 2,-0.5 -0.964 33.5-109.1-143.6 158.3 -17.2 -2.9 -7.0 42 42 A A E +F 32 0C 40 -2,-0.3 -10,-0.2 -10,-0.2 -32,-0.1 -0.751 43.9 171.5 -87.4 129.3 -14.1 -0.8 -6.3 43 43 A R E -F 31 0C 58 -12,-2.2 -12,-2.6 -2,-0.5 2,-0.2 -0.991 29.8-114.6-140.1 148.0 -11.6 -1.1 -9.2 44 44 A P E -F 30 0C 31 0, 0.0 81,-2.7 0, 0.0 2,-0.3 -0.568 27.2-116.6 -84.3 146.9 -8.3 0.7 -10.1 45 45 A V E +C 124 0A 7 -16,-2.6 79,-0.3 79,-0.2 3,-0.1 -0.637 32.7 176.1 -77.8 133.9 -7.9 2.9 -13.1 46 46 A V E + 0 0 64 77,-3.3 2,-0.3 -2,-0.3 78,-0.2 0.491 60.4 34.1-119.7 -8.2 -5.3 1.4 -15.5 47 47 A S E -C 123 0A 18 76,-1.2 76,-2.3 172,-0.1 2,-0.4 -0.993 60.2-158.4-147.5 148.3 -5.2 3.8 -18.5 48 48 A W E -C 122 0A 51 -2,-0.3 2,-0.4 74,-0.2 74,-0.2 -0.991 9.1-168.6-130.3 134.6 -5.7 7.5 -18.9 49 49 A F E -C 121 0A 28 72,-2.6 72,-1.9 -2,-0.4 2,-0.9 -0.985 18.7-159.7-131.2 132.5 -6.7 9.3 -22.1 50 50 A D E -C 120 0A 67 -2,-0.4 70,-0.2 70,-0.2 -2,-0.0 -0.905 18.8-177.5-103.7 99.2 -6.8 13.0 -23.0 51 51 A Q E - 0 0 29 68,-1.5 69,-0.2 -2,-0.9 -1,-0.1 0.311 28.8-132.5 -84.8 7.1 -9.3 12.9 -25.9 52 52 A G E - 0 0 21 67,-0.5 67,-2.4 2,-0.0 2,-0.4 -0.103 47.3 -27.1 73.6-174.2 -9.1 16.5 -27.0 53 53 A T E S+C 118 0A 68 65,-0.2 2,-0.3 63,-0.1 65,-0.2 -0.634 72.7 151.7 -81.6 130.0 -12.0 19.0 -27.7 54 54 A R E -C 117 0A 61 63,-2.8 63,-2.0 -2,-0.4 2,-0.3 -0.925 49.6 -79.7-149.2 171.2 -15.2 17.4 -28.9 55 55 A D E -C 116 0A 77 -2,-0.3 2,-0.3 61,-0.2 61,-0.2 -0.599 49.9-179.3 -76.7 136.5 -18.9 17.9 -29.0 56 56 A V E -C 115 0A 0 59,-2.7 59,-2.0 -2,-0.3 2,-0.3 -0.987 15.1-156.4-138.1 147.9 -20.6 16.9 -25.8 57 57 A I E - D 0 69A 23 12,-2.7 12,-2.2 -2,-0.3 2,-0.4 -0.784 19.8-124.3-116.7 164.0 -24.2 16.8 -24.6 58 58 A G E -CD 112 68A 0 54,-1.4 54,-2.8 -2,-0.3 2,-0.5 -0.871 12.6-162.4-118.1 147.3 -25.5 16.9 -21.0 59 59 A L E -CD 111 67A 4 8,-2.3 8,-2.3 -2,-0.4 2,-0.6 -0.983 10.4-155.5-124.0 116.8 -27.8 14.7 -19.0 60 60 A R E -CD 110 66A 87 50,-3.0 49,-2.3 -2,-0.5 50,-1.4 -0.847 18.2-154.9 -94.3 122.9 -29.2 16.1 -15.8 61 61 A I E > -C 108 0A 6 4,-3.1 3,-2.5 -2,-0.6 47,-0.2 -0.644 30.1 -88.5 -99.3 153.5 -30.1 13.3 -13.4 62 62 A A T 3 S+ 0 0 26 45,-2.0 3,-0.2 1,-0.3 -1,-0.1 -0.381 118.7 43.4 -54.8 128.9 -32.6 13.2 -10.6 63 63 A G T 3 S- 0 0 91 1,-0.1 -1,-0.3 -3,-0.1 -3,-0.0 0.149 125.4 -84.6 116.3 -20.1 -30.6 14.6 -7.7 64 64 A G S < S+ 0 0 49 -3,-2.5 -2,-0.1 1,-0.3 -1,-0.1 0.175 82.2 134.4 109.6 -20.0 -28.9 17.4 -9.4 65 65 A A - 0 0 25 -3,-0.2 -4,-3.1 -4,-0.1 2,-0.5 -0.369 35.7-161.6 -67.2 143.2 -25.9 15.8 -11.0 66 66 A I E - D 0 60A 58 -6,-0.2 2,-0.5 -2,-0.1 -6,-0.2 -0.984 1.7-164.3-128.1 118.6 -25.1 16.7 -14.6 67 67 A V E - D 0 59A 5 -8,-2.3 -8,-2.3 -2,-0.5 2,-0.5 -0.901 3.1-159.4-106.1 130.5 -22.9 14.5 -16.7 68 68 A W E + D 0 58A 55 -2,-0.5 -65,-2.8 -10,-0.2 2,-0.3 -0.942 27.1 149.3-109.1 125.6 -21.4 15.9 -19.9 69 69 A A E -AD 2 57A 8 -12,-2.2 -12,-2.7 -2,-0.5 -67,-0.2 -0.960 52.8 -82.9-149.9 162.0 -20.3 13.3 -22.4 70 70 A T > - 0 0 4 -69,-2.4 3,-1.9 -2,-0.3 14,-0.3 -0.407 47.0-113.8 -65.3 146.8 -19.9 12.8 -26.2 71 71 A P T 3 S+ 0 0 54 0, 0.0 14,-3.3 0, 0.0 15,-0.4 0.724 116.2 55.6 -56.2 -20.5 -23.3 11.7 -27.7 72 72 A D T 3 S+ 0 0 46 12,-0.2 2,-0.1 11,-0.2 -2,-0.0 0.623 77.8 115.7 -87.0 -15.3 -21.7 8.3 -28.6 73 73 A H < - 0 0 10 -3,-1.9 11,-2.8 -72,-0.2 2,-0.3 -0.350 69.6-123.3 -58.5 128.8 -20.6 7.5 -25.0 74 74 A K E -G 83 0D 16 9,-0.2 64,-3.0 10,-0.1 2,-0.4 -0.597 26.7-167.2 -81.5 133.6 -22.5 4.5 -23.8 75 75 A V E -GH 82 137D 4 7,-3.2 7,-2.2 -2,-0.3 2,-0.6 -0.909 24.4-118.0-117.6 143.4 -24.5 4.8 -20.6 76 76 A L E +G 81 0D 28 60,-2.6 18,-3.2 -2,-0.4 60,-0.3 -0.731 43.7 172.7 -84.4 122.7 -26.0 1.9 -18.6 77 77 A T E > -GI 80 93D 4 3,-2.2 3,-2.2 -2,-0.6 16,-0.2 -0.644 52.5 -90.9-122.8 178.7 -29.8 2.1 -18.5 78 78 A E T 3 S+ 0 0 77 14,-1.6 15,-0.1 1,-0.3 3,-0.1 0.790 131.4 46.1 -59.2 -25.3 -32.8 0.0 -17.4 79 79 A Y T 3 S- 0 0 164 1,-0.4 -1,-0.3 13,-0.3 2,-0.2 0.041 122.4-103.5-105.1 23.7 -32.7 -1.3 -21.0 80 80 A G E < S-G 77 0D 26 -3,-2.2 -3,-2.2 2,-0.1 -1,-0.4 -0.491 74.8 -3.2 91.0-162.7 -28.9 -2.0 -21.1 81 81 A W E +G 76 0D 36 -5,-0.2 2,-0.3 -2,-0.2 -5,-0.2 -0.483 65.9 167.9 -72.0 133.1 -26.2 0.0 -22.9 82 82 A R E -G 75 0D 77 -7,-2.2 -7,-3.2 -2,-0.2 2,-0.1 -0.993 39.9-103.9-145.0 143.3 -27.4 3.0 -24.9 83 83 A A E >> -G 74 0D 11 -2,-0.3 3,-1.9 -9,-0.2 4,-0.6 -0.446 30.4-124.4 -67.5 139.0 -25.5 5.9 -26.4 84 84 A A G >4 S+ 0 0 2 -11,-2.8 3,-1.1 -14,-0.3 -12,-0.2 0.838 109.2 60.9 -52.9 -37.1 -25.9 9.1 -24.4 85 85 A G G 34 S+ 0 0 15 -14,-3.3 -1,-0.3 1,-0.2 -13,-0.1 0.711 99.4 56.2 -66.5 -19.4 -27.2 10.9 -27.5 86 86 A E G <4 S+ 0 0 119 -3,-1.9 -1,-0.2 -15,-0.4 -2,-0.2 0.616 87.2 100.2 -86.6 -15.1 -30.2 8.6 -27.8 87 87 A L << - 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