==== 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 27-JUL-09 3IGD . COMPND 2 MOLECULE: ENDONUCLEASE PI-MTUI; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR P.VAN ROEY,M.BELFORT . 138 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6966.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 98 71.0 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 . 57 41.3 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 . 1 0.7 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-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 13.0 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 2 2 2 2 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 1 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 21 0, 0.0 69,-2.6 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 140.3 13.9 21.9 -0.2 2 2 A L E -AB 69 120A 2 118,-2.4 118,-2.9 67,-0.2 67,-0.2 -0.903 360.0-121.3-112.0 139.1 11.3 24.6 0.4 3 3 A A E > - B 0 119A 0 65,-1.9 3,-1.1 -2,-0.4 116,-0.2 -0.320 37.7 -90.4 -74.5 157.3 7.6 24.4 -0.1 4 4 A E T 3 S+ 0 0 67 114,-1.7 -1,-0.1 1,-0.2 3,-0.1 -0.304 112.3 47.8 -62.7 152.2 5.6 26.6 -2.4 5 5 A G T 3 S+ 0 0 32 1,-0.3 2,-0.3 -3,-0.1 -1,-0.2 0.338 75.9 144.2 94.2 -6.8 4.3 29.8 -0.7 6 6 A T < - 0 0 3 -3,-1.1 13,-3.4 1,-0.1 2,-0.5 -0.528 47.5-133.2 -69.3 126.4 7.7 30.4 0.8 7 7 A R E -F 18 0B 147 -2,-0.3 126,-2.5 11,-0.2 2,-0.6 -0.715 20.7-170.7 -88.6 124.5 8.3 34.1 0.9 8 8 A I E -FG 17 132B 0 9,-2.4 9,-2.5 -2,-0.5 2,-0.4 -0.940 14.6-144.2-118.6 111.6 11.7 35.4 -0.2 9 9 A F E -F 16 0B 53 -2,-0.6 23,-0.4 122,-0.6 7,-0.3 -0.592 8.8-140.0 -75.8 124.2 12.4 39.0 0.4 10 10 A D > - 0 0 5 5,-3.7 4,-1.7 -2,-0.4 21,-0.2 -0.722 13.6-164.8 -85.4 97.8 14.4 40.8 -2.4 11 11 A P T 4 S+ 0 0 36 0, 0.0 -1,-0.2 0, 0.0 31,-0.1 0.769 85.3 49.8 -54.8 -25.7 16.7 42.9 -0.3 12 12 A V T 4 S+ 0 0 84 1,-0.2 -2,-0.1 3,-0.1 19,-0.0 0.934 123.6 25.3 -80.7 -47.8 17.6 44.9 -3.3 13 13 A T T 4 S- 0 0 81 2,-0.2 -1,-0.2 17,-0.1 3,-0.1 0.311 96.1-130.3 -97.6 5.5 14.2 45.8 -4.7 14 14 A G < + 0 0 40 -4,-1.7 2,-0.1 1,-0.2 -2,-0.0 0.332 64.0 137.9 64.1 -13.4 12.4 45.4 -1.3 15 15 A T - 0 0 66 -5,-0.2 -5,-3.7 -6,-0.1 2,-0.5 -0.398 48.5-142.5 -68.9 138.3 10.0 43.2 -3.2 16 16 A T E -F 9 0B 82 -7,-0.3 -7,-0.2 -2,-0.1 2,-0.2 -0.897 22.5-170.9-104.6 124.4 8.7 40.0 -1.5 17 17 A H E -F 8 0B 32 -9,-2.5 -9,-2.4 -2,-0.5 2,-0.6 -0.639 28.3-119.4-110.5 167.4 8.2 37.0 -3.8 18 18 A R E >> -F 7 0B 121 -11,-0.2 3,-1.8 -2,-0.2 4,-1.3 -0.951 32.9-129.2-105.8 117.1 6.7 33.5 -3.5 19 19 A I H 3> S+ 0 0 0 -13,-3.4 4,-2.3 -2,-0.6 3,-0.4 0.777 102.5 58.2 -35.4 -51.1 9.6 31.1 -4.2 20 20 A E H 3> S+ 0 0 11 1,-0.3 4,-3.7 2,-0.2 -1,-0.3 0.864 104.7 51.9 -53.2 -39.7 7.7 29.0 -6.8 21 21 A D H <> S+ 0 0 49 -3,-1.8 4,-1.8 2,-0.2 6,-0.3 0.900 106.3 53.8 -65.8 -36.5 7.2 32.1 -8.9 22 22 A V H <>S+ 0 0 0 -4,-1.3 5,-2.5 -3,-0.4 -2,-0.2 0.968 115.6 41.2 -58.6 -49.5 10.9 32.9 -8.8 23 23 A V H ><5S+ 0 0 2 -4,-2.3 3,-2.1 3,-0.2 -2,-0.2 0.947 109.9 55.1 -61.5 -57.2 11.5 29.3 -10.1 24 24 A Y H 3<5S+ 0 0 108 -4,-3.7 -1,-0.2 1,-0.3 -2,-0.2 0.816 120.5 32.2 -49.6 -36.4 8.7 29.2 -12.7 25 25 A G T 3<5S- 0 0 50 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.194 102.3-126.3-109.5 18.2 10.0 32.3 -14.4 26 26 A R T < 5 - 0 0 141 -3,-2.1 -3,-0.2 1,-0.2 -4,-0.1 0.877 41.1-165.2 36.3 49.7 13.7 31.8 -13.6 27 27 A K < - 0 0 82 -5,-2.5 2,-1.9 -6,-0.3 -1,-0.2 -0.479 21.1-135.8 -69.0 125.5 13.5 35.3 -12.1 28 28 A P + 0 0 110 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.525 50.8 147.8 -82.1 75.6 16.9 37.0 -11.5 29 29 A I - 0 0 7 -2,-1.9 16,-2.4 16,-0.1 2,-0.3 -0.305 42.8-121.6 -98.8-175.4 16.1 38.4 -8.1 30 30 A H E -N 44 0C 57 14,-0.2 2,-0.3 -2,-0.1 -17,-0.1 -0.860 22.6-169.5-123.3 161.0 18.2 39.0 -5.0 31 31 A V E -N 43 0C 0 12,-2.4 12,-2.3 -2,-0.3 2,-0.6 -0.849 33.1 -95.1-139.9 173.0 17.8 37.5 -1.5 32 32 A V E -N 42 0C 5 -23,-0.4 99,-0.7 99,-0.3 2,-0.4 -0.868 45.0-177.7 -96.6 126.4 19.4 38.2 1.8 33 33 A A E -N 41 0C 0 8,-3.4 8,-4.1 -2,-0.6 2,-0.5 -0.949 18.8-134.5-125.5 145.3 22.3 35.9 2.6 34 34 A A - 0 0 8 -2,-0.4 6,-0.2 6,-0.3 4,-0.1 -0.865 16.0-132.6-105.8 131.3 24.5 35.6 5.7 35 35 A A >> - 0 0 19 -2,-0.5 3,-1.7 1,-0.1 4,-0.6 -0.347 32.9-103.4 -73.4 157.9 28.2 35.3 5.5 36 36 A K T 34 S+ 0 0 212 1,-0.3 -1,-0.1 2,-0.2 -2,-0.0 0.796 122.6 66.2 -51.8 -31.9 30.0 32.7 7.7 37 37 A D T 34 S- 0 0 112 1,-0.0 -1,-0.3 0, 0.0 -2,-0.1 0.214 125.0-105.2 -76.6 18.8 30.9 35.5 10.1 38 38 A G T <4 S+ 0 0 39 -3,-1.7 2,-0.2 -4,-0.1 -2,-0.2 0.934 78.1 115.8 53.3 94.7 27.2 35.7 10.7 39 39 A T < - 0 0 37 -4,-0.6 2,-0.3 63,-0.1 -1,-0.1 -0.671 57.8-107.6-156.3-149.9 26.0 38.8 8.9 40 40 A L + 0 0 33 -2,-0.2 2,-0.3 -6,-0.2 -6,-0.3 -0.857 31.6 170.9-165.2 125.5 23.6 39.5 6.0 41 41 A H E -N 33 0C 81 -8,-4.1 -8,-3.4 -2,-0.3 2,-0.4 -0.890 37.0-102.7-134.4 163.6 24.3 40.7 2.5 42 42 A A E +N 32 0C 41 -2,-0.3 -10,-0.2 -10,-0.2 -32,-0.1 -0.747 45.1 175.0 -88.2 129.8 22.4 41.2 -0.8 43 43 A R E -N 31 0C 52 -12,-2.3 -12,-2.4 -2,-0.4 2,-0.1 -0.998 27.6-119.4-144.2 140.4 23.0 38.4 -3.3 44 44 A P E -N 30 0C 34 0, 0.0 81,-1.6 0, 0.0 2,-0.8 -0.394 27.6-118.1 -74.4 146.5 21.7 37.4 -6.8 45 45 A V E +C 124 0A 6 -16,-2.4 79,-0.2 79,-0.2 -16,-0.1 -0.783 33.8 175.1 -86.8 111.1 20.0 34.1 -7.5 46 46 A V E + 0 0 71 77,-1.0 2,-0.3 -2,-0.8 -1,-0.2 0.722 63.6 34.2 -89.9 -22.1 22.2 32.4 -10.0 47 47 A S E -C 123 0A 43 76,-1.1 76,-0.9 2,-0.0 2,-0.3 -0.941 60.5-163.3-134.4 156.4 20.2 29.1 -10.1 48 48 A W E -C 122 0A 54 -2,-0.3 2,-0.3 74,-0.2 74,-0.2 -0.970 8.3-169.1-135.8 148.3 16.6 27.9 -9.8 49 49 A F E -C 121 0A 71 72,-1.6 72,-1.6 -2,-0.3 2,-0.9 -0.991 22.8-155.4-146.9 135.9 15.2 24.5 -9.1 50 50 A D E -C 120 0A 89 -2,-0.3 70,-0.2 70,-0.2 -2,-0.0 -0.818 22.5-179.8-105.0 85.4 11.8 22.8 -9.3 51 51 A Q - 0 0 72 -2,-0.9 69,-0.2 68,-0.7 -1,-0.1 0.638 32.2-131.2 -65.5 -17.2 12.6 20.1 -6.7 52 52 A G - 0 0 23 67,-1.2 67,-0.5 -3,-0.1 2,-0.2 -0.129 43.0 -32.7 89.2 170.4 9.1 18.5 -7.0 53 53 A T + 0 0 65 65,-0.2 2,-0.3 63,-0.1 65,-0.2 -0.419 69.9 148.8 -67.2 135.7 6.6 17.4 -4.2 54 54 A R E -D 117 0A 113 63,-1.7 63,-1.0 -2,-0.2 2,-0.5 -0.807 52.9 -75.2-148.9-175.5 8.2 16.1 -1.1 55 55 A D E -D 116 0A 68 -2,-0.3 2,-0.4 61,-0.2 61,-0.2 -0.832 47.6-173.3 -97.0 128.2 7.3 16.1 2.6 56 56 A V E -D 115 0A 0 59,-2.8 59,-1.8 -2,-0.5 14,-0.3 -0.934 10.4-156.9-121.8 144.1 7.7 19.4 4.4 57 57 A I E - E 0 69A 19 12,-3.3 12,-2.3 -2,-0.4 2,-0.4 -0.629 18.6-129.3-108.1 171.1 7.4 20.2 8.0 58 58 A G E -DE 112 68A 0 54,-1.5 54,-4.5 10,-0.2 2,-0.6 -0.960 11.8-162.3-136.6 122.1 6.6 23.7 9.4 59 59 A L E -DE 111 67A 5 8,-2.2 8,-2.8 -2,-0.4 2,-0.7 -0.877 13.3-152.5-100.8 114.7 8.4 25.7 12.1 60 60 A R E -DE 110 66A 80 50,-2.5 49,-4.3 -2,-0.6 50,-0.8 -0.800 18.7-153.4 -89.7 117.2 6.2 28.5 13.4 61 61 A I E > -D 108 0A 4 4,-2.1 3,-2.2 -2,-0.7 47,-0.2 -0.551 25.0 -94.8 -94.1 154.4 8.6 31.3 14.6 62 62 A A T 3 S+ 0 0 31 45,-2.3 3,-0.2 1,-0.3 -1,-0.1 -0.465 114.8 43.3 -63.1 134.5 8.0 33.9 17.3 63 63 A G T 3 S- 0 0 93 1,-0.1 -1,-0.3 -2,-0.1 -3,-0.0 -0.004 128.9 -78.7 114.7 -27.4 6.9 37.0 15.4 64 64 A G S < S+ 0 0 51 -3,-2.2 -1,-0.1 1,-0.3 -2,-0.1 -0.014 85.9 128.1 127.4 -34.2 4.5 35.1 13.1 65 65 A A - 0 0 29 -3,-0.2 -4,-2.1 -5,-0.1 2,-0.3 -0.024 36.0-163.1 -54.7 159.2 6.5 33.4 10.4 66 66 A I E - E 0 60A 56 -6,-0.3 2,-0.5 2,-0.0 -6,-0.3 -0.897 6.3-152.1-148.4 114.0 6.1 29.7 9.5 67 67 A V E - E 0 59A 6 -8,-2.8 -8,-2.2 -2,-0.3 2,-0.6 -0.784 4.6-164.6 -94.2 129.1 8.7 27.9 7.5 68 68 A W E + E 0 58A 59 -2,-0.5 -65,-1.9 -10,-0.2 2,-0.3 -0.958 32.6 138.6-111.1 114.6 7.6 24.9 5.5 69 69 A A E -AE 2 57A 6 -12,-2.3 -12,-3.3 -2,-0.6 -67,-0.2 -0.945 57.7 -80.1-150.4 168.6 10.6 22.8 4.4 70 70 A T > - 0 0 3 -69,-2.6 3,-3.8 -2,-0.3 14,-0.3 -0.575 46.5-116.3 -74.2 132.9 12.0 19.3 4.0 71 71 A P T 3 S+ 0 0 55 0, 0.0 14,-2.3 0, 0.0 15,-0.5 0.628 115.0 58.2 -43.9 -17.9 13.2 17.8 7.3 72 72 A D T 3 S+ 0 0 99 12,-0.2 2,-0.3 11,-0.2 -2,-0.0 0.474 76.5 120.4 -94.1 -2.9 16.7 17.7 5.9 73 73 A H < - 0 0 10 -3,-3.8 11,-2.5 -72,-0.2 2,-0.3 -0.456 66.5-124.2 -69.4 126.0 16.9 21.5 5.2 74 74 A K E -H 83 0B 87 -2,-0.3 64,-2.7 9,-0.2 2,-0.4 -0.550 30.6-174.1 -71.8 129.2 19.7 23.1 7.0 75 75 A V E -HI 82 137B 5 7,-2.4 7,-1.5 -2,-0.3 2,-0.4 -0.948 28.4-116.2-123.0 142.8 18.5 26.0 9.2 76 76 A L + 0 0 29 60,-1.9 18,-3.5 -2,-0.4 2,-0.2 -0.696 48.8 164.6 -81.8 129.1 20.8 28.3 11.0 77 77 A T B -J 93 0B 6 -2,-0.4 16,-0.2 16,-0.3 4,-0.1 -0.653 57.8 -74.5-133.0-172.4 20.3 28.0 14.8 78 78 A E S S+ 0 0 48 14,-1.9 15,-0.1 1,-0.2 -2,-0.1 0.082 137.8 39.1 -74.4 26.9 21.8 28.8 18.2 79 79 A Y S S- 0 0 144 13,-0.2 -1,-0.2 1,-0.0 2,-0.2 0.407 118.7-109.5-139.3 -39.4 24.0 25.9 17.2 80 80 A G S S+ 0 0 23 -5,-0.1 -5,-0.2 2,-0.0 -2,-0.1 -0.530 77.8 8.5 118.3 172.3 24.6 26.6 13.6 81 81 A W S S+ 0 0 104 -2,-0.2 2,-0.3 -7,-0.1 -5,-0.2 0.275 73.8 159.8 -20.9 125.1 23.4 24.6 10.6 82 82 A R E -H 75 0B 74 -7,-1.5 -7,-2.4 -9,-0.1 2,-0.6 -0.929 43.1 -93.5-146.4 168.4 20.8 21.9 11.7 83 83 A A E > -H 74 0B 17 -2,-0.3 3,-0.9 -9,-0.2 -9,-0.2 -0.792 24.4-135.6 -95.4 122.7 18.0 19.9 10.0 84 84 A A G > S+ 0 0 1 -11,-2.5 3,-0.8 -2,-0.6 -12,-0.2 0.824 104.4 57.7 -36.3 -47.0 14.5 21.3 10.2 85 85 A G G 3 S+ 0 0 27 -14,-2.3 2,-1.6 1,-0.3 -1,-0.3 0.925 100.6 54.6 -53.8 -52.2 13.2 17.8 11.1 86 86 A E G < S+ 0 0 107 -3,-0.9 2,-0.3 -15,-0.5 -1,-0.3 -0.261 91.6 103.6 -81.3 49.5 15.4 17.5 14.2 87 87 A L < - 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