==== 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 2IN9 . 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) . 7027.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 98 70.5 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 . 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 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 7 0, 0.0 69,-2.5 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 152.8 4.5 4.2 7.4 2 2 A L E -AB 69 120A 0 118,-3.5 118,-2.4 67,-0.2 67,-0.2 -0.827 360.0-113.5-103.8 137.9 3.7 0.5 7.7 3 3 A A E > - B 0 119A 0 65,-2.3 3,-1.8 -2,-0.4 16,-0.2 -0.247 32.2 -96.5 -70.7 150.5 6.2 -2.2 6.7 4 4 A E T 3 S+ 0 0 80 114,-1.9 -1,-0.1 1,-0.3 3,-0.1 -0.347 113.5 42.3 -58.7 144.0 5.9 -4.6 3.9 5 5 A G T 3 S+ 0 0 30 1,-0.3 2,-0.3 -3,-0.1 -1,-0.3 0.202 79.1 144.6 98.0 -14.2 4.5 -7.9 5.2 6 6 A T < - 0 0 4 -3,-1.8 13,-2.8 62,-0.1 2,-0.4 -0.432 44.6-138.2 -64.3 119.1 2.0 -6.0 7.3 7 7 A R E -E 18 0B 139 -2,-0.3 126,-2.9 11,-0.2 2,-0.5 -0.678 17.2-167.2 -85.4 127.8 -1.3 -8.0 7.4 8 8 A I E -EF 17 132B 0 9,-3.2 9,-2.6 -2,-0.4 2,-0.3 -0.949 13.0-141.2-120.3 116.3 -4.6 -6.2 7.1 9 9 A F E -E 16 0B 55 122,-0.7 23,-0.4 -2,-0.5 7,-0.2 -0.548 8.1-148.3 -76.7 129.9 -7.9 -7.8 7.9 10 10 A D > - 0 0 3 5,-3.0 4,-2.3 -2,-0.3 5,-0.2 -0.890 6.2-164.7 -99.6 113.3 -10.8 -6.9 5.6 11 11 A P T 4 S+ 0 0 46 0, 0.0 -1,-0.1 0, 0.0 20,-0.1 0.717 84.8 53.1 -69.9 -21.9 -14.1 -7.1 7.7 12 12 A V T 4 S+ 0 0 92 3,-0.1 19,-0.0 1,-0.1 -2,-0.0 0.939 124.6 21.7 -79.3 -49.0 -16.3 -7.1 4.6 13 13 A T T 4 S- 0 0 86 2,-0.2 3,-0.1 17,-0.1 -1,-0.1 0.721 96.1-129.2 -90.6 -24.8 -14.8 -10.0 2.7 14 14 A G < + 0 0 45 -4,-2.3 2,-0.2 1,-0.3 -5,-0.0 0.494 64.9 134.4 86.2 3.7 -13.1 -11.7 5.7 15 15 A T - 0 0 70 -5,-0.2 -5,-3.0 -6,-0.1 2,-0.5 -0.606 49.2-143.2 -89.2 147.1 -9.9 -11.7 3.7 16 16 A T E -E 9 0B 78 -7,-0.2 2,-0.3 -2,-0.2 -7,-0.2 -0.953 20.0-165.2-112.6 124.2 -6.5 -10.7 5.1 17 17 A H E -E 8 0B 36 -9,-2.6 -9,-3.2 -2,-0.5 2,-0.5 -0.782 23.8-122.0-111.9 153.1 -4.1 -8.9 2.8 18 18 A R E >> -E 7 0B 154 -2,-0.3 4,-1.7 -11,-0.2 3,-1.1 -0.769 30.4-129.1 -86.0 132.9 -0.4 -8.0 2.9 19 19 A I H 3> S+ 0 0 0 -13,-2.8 4,-2.3 -2,-0.5 5,-0.2 0.810 104.6 57.8 -56.5 -32.5 -0.1 -4.2 2.6 20 20 A E H 3> S+ 0 0 13 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.834 107.3 48.2 -68.5 -29.2 2.4 -4.3 -0.3 21 21 A D H <> S+ 0 0 74 -3,-1.1 4,-1.5 2,-0.2 -1,-0.2 0.872 109.6 52.9 -75.5 -36.4 -0.0 -6.3 -2.4 22 22 A V H <>S+ 0 0 0 -4,-1.7 5,-2.3 2,-0.2 -2,-0.2 0.923 117.4 37.8 -62.1 -45.0 -2.8 -3.9 -1.6 23 23 A V H ><5S+ 0 0 10 -4,-2.3 3,-1.7 3,-0.2 -2,-0.2 0.975 116.3 47.3 -72.9 -58.0 -0.7 -0.9 -2.6 24 24 A D H 3<5S+ 0 0 97 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.785 123.7 37.6 -55.3 -27.6 1.1 -2.3 -5.7 25 25 A G T 3<5S- 0 0 44 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.358 101.9-132.1-106.7 5.2 -2.2 -3.7 -6.9 26 26 A R T < 5 - 0 0 159 -3,-1.7 -3,-0.2 -4,-0.2 -4,-0.1 0.917 35.3-174.5 41.9 58.3 -4.4 -0.7 -5.8 27 27 A K < - 0 0 87 -5,-2.3 2,-2.1 -6,-0.2 -1,-0.2 -0.755 24.8-140.7 -88.9 122.0 -6.9 -3.1 -4.2 28 28 A P + 0 0 98 0, 0.0 -1,-0.1 0, 0.0 18,-0.1 -0.316 44.2 158.2 -76.6 55.3 -10.0 -1.3 -2.9 29 29 A I - 0 0 9 -2,-2.1 16,-2.4 15,-0.1 2,-0.3 -0.185 39.4-122.7 -73.6 170.5 -10.3 -3.4 0.3 30 30 A H E -M 44 0C 62 14,-0.2 2,-0.3 94,-0.1 -17,-0.1 -0.824 26.7-163.6-109.8 154.6 -12.1 -2.5 3.4 31 31 A V E -M 43 0C 0 12,-2.5 12,-1.9 -2,-0.3 2,-0.7 -0.761 30.5 -99.8-128.3 174.5 -10.3 -2.3 6.7 32 32 A V E -M 42 0C 7 -23,-0.4 99,-0.6 -2,-0.3 2,-0.3 -0.912 48.2-169.8 -96.7 119.4 -11.4 -2.2 10.4 33 33 A A E -M 41 0C 0 8,-4.2 8,-3.2 -2,-0.7 2,-0.4 -0.805 15.3-129.2-111.0 156.2 -11.2 1.4 11.3 34 34 A A E -M 40 0C 9 -2,-0.3 6,-0.2 6,-0.2 2,-0.2 -0.871 16.3-154.4-108.9 137.8 -11.4 3.0 14.8 35 35 A A > - 0 0 24 4,-3.3 3,-1.0 -2,-0.4 4,-0.2 -0.538 35.0 -97.1-100.7 171.0 -13.7 5.9 15.7 36 36 A K T 3 S+ 0 0 212 1,-0.3 2,-0.2 -2,-0.2 -1,-0.0 0.826 116.2 58.1 -58.0 -38.5 -13.2 8.4 18.5 37 37 A D T 3 S- 0 0 116 1,-0.1 -1,-0.3 2,-0.1 3,-0.1 -0.035 123.2 -93.3 -88.1 34.2 -15.5 6.7 21.0 38 38 A G S < S+ 0 0 43 -3,-1.0 2,-0.4 1,-0.2 65,-0.3 0.747 85.2 133.0 66.0 23.9 -13.7 3.4 21.1 39 39 A T - 0 0 54 -4,-0.2 -4,-3.3 63,-0.1 2,-0.3 -0.865 47.2-141.0-111.0 143.9 -15.9 1.9 18.4 40 40 A L E +M 34 0C 40 -2,-0.4 2,-0.3 -6,-0.2 -6,-0.2 -0.795 22.9 175.4-102.4 144.0 -14.7 -0.1 15.3 41 41 A H E -M 33 0C 69 -8,-3.2 -8,-4.2 -2,-0.3 2,-0.5 -0.958 34.4-105.7-144.1 161.2 -16.1 0.2 11.9 42 42 A A E +M 32 0C 42 -2,-0.3 -10,-0.2 -10,-0.2 -32,-0.1 -0.768 42.3 174.7 -89.5 131.8 -15.6 -1.0 8.3 43 43 A R E -M 31 0C 60 -12,-1.9 -12,-2.5 -2,-0.5 2,-0.1 -1.000 26.7-118.7-140.9 137.5 -14.1 1.6 6.0 44 44 A P E -M 30 0C 32 0, 0.0 81,-2.4 0, 0.0 2,-0.6 -0.378 20.9-123.2 -76.2 152.0 -12.9 1.5 2.4 45 45 A V E +C 124 0A 4 -16,-2.4 79,-0.2 79,-0.2 3,-0.1 -0.857 31.6 172.9 -94.7 120.9 -9.4 2.2 1.2 46 46 A V E + 0 0 57 77,-2.8 2,-0.3 -2,-0.6 78,-0.1 0.569 59.6 32.0-106.0 -14.7 -9.5 5.0 -1.4 47 47 A S E -C 123 0A 30 76,-0.8 76,-2.0 2,-0.0 2,-0.4 -0.984 61.4-151.4-143.3 154.8 -5.8 5.8 -2.0 48 48 A W E -C 122 0A 43 -2,-0.3 2,-0.5 74,-0.2 74,-0.2 -0.990 8.5-167.0-130.6 132.7 -2.5 3.9 -1.9 49 49 A F E -C 121 0A 93 72,-2.6 72,-1.7 -2,-0.4 2,-0.7 -0.972 11.9-155.4-126.6 124.6 1.0 5.2 -1.1 50 50 A D E -C 120 0A 79 -2,-0.5 70,-0.2 70,-0.2 -2,-0.0 -0.859 12.0-172.8 -92.9 116.0 4.3 3.5 -1.7 51 51 A Q E - 0 0 54 68,-3.2 69,-0.2 -2,-0.7 -1,-0.1 0.325 29.2-132.1 -95.3 7.9 6.7 5.1 0.8 52 52 A G E - 0 0 28 67,-0.5 67,-2.5 2,-0.0 2,-0.4 -0.134 50.2 -28.2 72.3-172.2 9.9 3.5 -0.4 53 53 A T E S+C 118 0A 80 65,-0.3 2,-0.3 63,-0.1 65,-0.2 -0.643 73.3 147.9 -84.8 131.4 12.5 1.8 1.8 54 54 A R E -C 117 0A 107 63,-2.3 63,-1.3 -2,-0.4 2,-0.3 -0.936 50.6 -83.3-151.6 169.7 12.8 3.0 5.4 55 55 A D E -C 116 0A 68 -2,-0.3 2,-0.4 61,-0.2 61,-0.2 -0.661 42.4-170.4 -81.6 135.9 13.7 1.7 8.8 56 56 A V E -C 115 0A 0 59,-2.0 59,-1.3 -2,-0.3 14,-0.3 -0.994 9.3-148.5-128.9 133.4 10.8 0.1 10.7 57 57 A I E - D 0 69A 19 12,-2.8 12,-2.2 -2,-0.4 2,-0.4 -0.598 17.5-125.7 -94.9 161.8 10.8 -0.9 14.3 58 58 A G E -CD 112 68A 0 54,-1.1 54,-3.1 10,-0.2 2,-0.6 -0.913 12.6-162.0-115.7 135.3 8.9 -3.9 15.7 59 59 A L E -CD 111 67A 5 8,-2.2 8,-1.8 -2,-0.4 2,-0.7 -0.926 10.9-158.7-113.1 107.0 6.3 -4.0 18.5 60 60 A R E -CD 110 66A 86 50,-2.9 49,-2.8 -2,-0.6 50,-1.6 -0.778 16.4-162.6 -88.0 119.1 5.8 -7.5 19.9 61 61 A I E > -C 108 0A 3 4,-3.4 3,-2.6 -2,-0.7 47,-0.2 -0.615 31.5 -82.7-103.0 159.3 2.4 -7.7 21.7 62 62 A A T 3 S+ 0 0 36 45,-2.1 3,-0.2 1,-0.3 -1,-0.1 -0.367 119.5 39.5 -56.4 130.1 0.9 -10.2 24.1 63 63 A G T 3 S- 0 0 91 1,-0.1 -1,-0.3 -3,-0.1 -3,-0.0 0.052 127.0 -84.3 112.8 -22.9 -0.4 -13.0 22.0 64 64 A G S < S+ 0 0 46 -3,-2.6 -1,-0.1 1,-0.3 -2,-0.1 0.022 81.6 140.2 114.7 -28.2 2.5 -13.0 19.6 65 65 A A - 0 0 37 -3,-0.2 -4,-3.4 -5,-0.1 2,-0.4 -0.132 30.1-167.2 -51.8 141.6 1.4 -10.3 17.1 66 66 A I E - D 0 60A 47 -6,-0.2 2,-0.5 2,-0.0 -6,-0.2 -0.980 4.2-162.0-135.9 120.5 4.2 -8.1 15.9 67 67 A V E - D 0 59A 5 -8,-1.8 -8,-2.2 -2,-0.4 2,-0.6 -0.897 6.8-155.5-105.8 129.6 3.5 -4.8 14.0 68 68 A W E + D 0 58A 54 -2,-0.5 -65,-2.3 -10,-0.2 2,-0.3 -0.914 29.7 143.1-107.0 123.1 6.3 -3.3 12.0 69 69 A A E -AD 2 57A 5 -12,-2.2 -12,-2.8 -2,-0.6 -67,-0.2 -0.964 53.8 -83.3-151.8 166.5 6.2 0.4 11.4 70 70 A T > - 0 0 5 -69,-2.5 3,-2.3 -2,-0.3 14,-0.4 -0.449 47.7-112.1 -70.0 146.0 8.4 3.5 11.1 71 71 A P T 3 S+ 0 0 59 0, 0.0 14,-3.1 0, 0.0 15,-0.3 0.727 117.7 55.0 -53.7 -21.0 9.2 5.1 14.4 72 72 A D T 3 S+ 0 0 101 12,-0.2 2,-0.1 11,-0.2 -2,-0.0 0.654 80.7 117.1 -87.7 -12.9 7.0 8.1 13.6 73 73 A H < - 0 0 6 -3,-2.3 11,-2.8 -72,-0.2 2,-0.3 -0.299 68.3-120.2 -60.6 130.7 3.9 6.0 12.8 74 74 A K E -G 83 0B 104 9,-0.2 64,-2.5 65,-0.1 2,-0.4 -0.551 30.8-175.0 -78.1 132.3 1.0 6.7 15.1 75 75 A V E -GH 82 137B 2 7,-2.7 7,-2.6 -2,-0.3 2,-0.6 -0.951 28.4-117.7-126.0 140.4 -0.4 3.8 17.2 76 76 A L E +G 81 0B 20 60,-1.9 18,-2.9 -2,-0.4 5,-0.2 -0.694 43.9 172.6 -81.5 121.4 -3.5 3.9 19.5 77 77 A T E > -GI 80 93B 4 3,-2.4 3,-2.2 -2,-0.6 16,-0.3 -0.692 51.8 -92.2-121.7 175.9 -2.4 3.2 23.1 78 78 A E T 3 S+ 0 0 52 14,-2.4 15,-0.1 1,-0.3 3,-0.1 0.735 130.2 46.3 -60.2 -20.8 -4.0 3.2 26.5 79 79 A Y T 3 S- 0 0 169 1,-0.4 -1,-0.3 13,-0.3 2,-0.2 0.040 124.8 -95.0-110.6 25.5 -2.8 6.9 26.7 80 80 A G E < S-G 77 0B 28 -3,-2.2 -3,-2.4 2,-0.1 2,-0.4 -0.499 73.1 -16.3 97.2-168.4 -4.0 7.9 23.2 81 81 A W E +G 76 0B 111 -5,-0.2 2,-0.3 -2,-0.2 -5,-0.2 -0.633 68.2 168.6 -79.3 125.8 -2.3 8.1 19.9 82 82 A R E -G 75 0B 65 -7,-2.6 -7,-2.7 -2,-0.4 2,-0.1 -0.979 40.6 -97.6-138.3 149.6 1.5 8.0 20.1 83 83 A A E >> -G 74 0B 13 -2,-0.3 3,-2.2 -9,-0.2 4,-0.5 -0.397 35.4-123.1 -64.2 138.0 4.4 7.6 17.7 84 84 A A G >4 S+ 0 0 1 -11,-2.8 3,-1.4 -14,-0.4 -12,-0.2 0.842 108.9 64.0 -50.8 -37.7 5.6 3.9 17.6 85 85 A G G 34 S+ 0 0 29 -14,-3.1 -1,-0.3 1,-0.3 -13,-0.1 0.656 96.6 56.1 -63.8 -17.8 9.1 5.1 18.5 86 86 A E G <4 S+ 0 0 105 -3,-2.2 -1,-0.3 -15,-0.3 -2,-0.2 0.597 88.0 103.0 -88.8 -13.0 8.0 6.4 21.9 87 87 A L << - 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