==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 18-SEP-08 3EJO . COMPND 2 MOLECULE: COPROPORPHYRINOGEN III OXIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: LEISHMANIA DONOVANI; . AUTHOR E.T.LARSON,E.A.MERRITT,MEDICAL STRUCTURAL GENOMICS OF PATHOG . 583 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25002.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 433 74.3 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 . 135 23.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.5 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 . 19 3.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 207 35.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 2.1 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 4 1 0 1 2 0 0 0 2 0 0 2 0 0 0 0 2 0 0 0 0 0 4 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 . 1 2 1 0 0 4 0 1 1 1 4 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 3 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 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 M > 0 0 70 0, 0.0 4,-1.6 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 45.7 39.6 53.1 69.2 2 2 A S H > + 0 0 82 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.866 360.0 52.8 -69.9 -35.8 42.6 50.7 69.7 3 3 A L H > S+ 0 0 146 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.860 107.3 52.1 -68.7 -37.4 40.7 48.7 72.5 4 4 A A H > S+ 0 0 22 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.916 109.9 49.8 -60.2 -45.3 37.7 48.2 70.1 5 5 A I H X S+ 0 0 7 -4,-1.6 4,-2.9 2,-0.2 -2,-0.2 0.913 109.6 49.9 -61.8 -44.7 40.1 46.9 67.4 6 6 A E H X S+ 0 0 87 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.926 110.7 50.7 -61.3 -42.5 41.7 44.5 69.9 7 7 A A H X S+ 0 0 44 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.896 112.0 47.5 -58.9 -41.6 38.2 43.3 70.9 8 8 A V H X S+ 0 0 2 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.919 110.2 51.1 -68.9 -44.4 37.3 42.7 67.2 9 9 A K H X S+ 0 0 45 -4,-2.9 4,-2.6 1,-0.2 5,-0.2 0.934 109.5 51.0 -55.1 -50.2 40.6 40.9 66.5 10 10 A D H X S+ 0 0 111 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.869 110.0 50.4 -56.3 -42.1 40.0 38.5 69.5 11 11 A F H X S+ 0 0 29 -4,-1.7 4,-2.9 2,-0.2 -1,-0.2 0.933 111.2 47.7 -60.1 -49.1 36.5 37.8 68.2 12 12 A L H X S+ 0 0 3 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.883 110.2 51.9 -63.0 -41.0 37.7 37.0 64.7 13 13 A V H X S+ 0 0 41 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.940 114.5 43.4 -59.4 -47.2 40.4 34.7 66.0 14 14 A K H X S+ 0 0 126 -4,-2.0 4,-3.0 2,-0.2 -2,-0.2 0.865 111.9 53.5 -68.1 -38.2 37.8 32.8 68.1 15 15 A L H X S+ 0 0 12 -4,-2.9 4,-3.1 2,-0.2 5,-0.2 0.933 108.8 49.2 -60.0 -48.4 35.3 32.8 65.2 16 16 A Q H X S+ 0 0 0 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.917 112.9 48.6 -56.5 -46.0 37.9 31.2 62.9 17 17 A D H X S+ 0 0 64 -4,-2.0 4,-2.8 -5,-0.2 5,-0.2 0.963 113.9 44.8 -60.0 -52.8 38.7 28.6 65.6 18 18 A D H X S+ 0 0 57 -4,-3.0 4,-2.5 1,-0.2 -2,-0.2 0.890 113.5 49.9 -61.5 -41.8 35.0 27.8 66.2 19 19 A I H X S+ 0 0 5 -4,-3.1 4,-2.3 2,-0.2 -1,-0.2 0.918 113.4 46.4 -64.0 -44.1 34.2 27.6 62.4 20 20 A C H X S+ 0 0 0 -4,-2.5 4,-2.6 -5,-0.2 -2,-0.2 0.927 113.7 48.1 -61.4 -46.3 37.1 25.3 61.8 21 21 A E H X S+ 0 0 129 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.899 111.0 51.2 -62.6 -42.6 36.3 23.1 64.8 22 22 A A H X S+ 0 0 22 -4,-2.5 4,-2.2 -5,-0.2 -2,-0.2 0.954 114.0 43.4 -59.6 -49.5 32.6 22.9 63.7 23 23 A L H X S+ 0 0 2 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.844 112.0 54.0 -65.6 -36.1 33.6 21.9 60.1 24 24 A E H X S+ 0 0 48 -4,-2.6 4,-3.1 2,-0.2 -1,-0.2 0.942 109.3 47.8 -62.0 -47.2 36.2 19.4 61.4 25 25 A A H < S+ 0 0 79 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.925 114.6 46.2 -58.3 -48.2 33.7 17.7 63.6 26 26 A E H < S+ 0 0 29 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.837 114.0 48.0 -66.6 -35.7 31.2 17.5 60.8 27 27 A D H < S- 0 0 9 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.928 84.0-169.1 -68.3 -45.6 33.9 16.2 58.3 28 28 A G S < S+ 0 0 67 -4,-3.1 -1,-0.1 2,-0.2 -3,-0.1 0.016 71.0 49.9 84.3 -28.6 35.1 13.6 60.8 29 29 A Q S S+ 0 0 137 -5,-0.1 -1,-0.2 -2,-0.0 2,-0.1 0.847 96.4 54.7-112.6 -55.3 38.2 12.8 58.8 30 30 A A - 0 0 14 -6,-0.1 2,-0.3 26,-0.1 -2,-0.2 -0.353 60.4-151.1 -83.5 163.3 40.3 15.8 57.7 31 31 A T - 0 0 77 20,-0.2 20,-0.4 18,-0.1 2,-0.3 -0.972 24.5-105.4-129.3 153.7 41.7 18.7 59.8 32 32 A F - 0 0 7 -2,-0.3 2,-0.5 18,-0.1 18,-0.2 -0.570 30.3-141.2 -74.0 135.3 42.5 22.3 59.0 33 33 A M E -A 49 0A 103 16,-2.8 16,-1.8 -2,-0.3 2,-0.3 -0.884 16.4-131.3-104.8 127.1 46.2 23.1 58.5 34 34 A E E -A 48 0A 105 -2,-0.5 2,-0.5 14,-0.2 14,-0.2 -0.570 21.4-176.2 -86.9 134.6 47.4 26.5 59.8 35 35 A D E -A 47 0A 49 12,-1.9 12,-3.3 -2,-0.3 2,-0.4 -0.931 5.4-169.0-131.0 103.5 49.5 28.9 57.8 36 36 A K E +A 46 0A 154 -2,-0.5 2,-0.3 10,-0.2 10,-0.2 -0.823 18.3 167.3 -94.7 132.2 50.7 32.0 59.7 37 37 A W E -A 45 0A 38 8,-2.5 8,-1.7 -2,-0.4 2,-0.3 -0.881 22.0-152.5-140.4 167.4 52.2 34.7 57.5 38 38 A T E -A 44 0A 125 -2,-0.3 2,-0.4 6,-0.2 6,-0.3 -0.942 9.7-141.2-138.4 161.5 53.3 38.4 57.4 39 39 A R > - 0 0 91 4,-2.3 3,-2.1 -2,-0.3 2,-0.1 -0.979 36.5 -98.0-125.5 136.7 53.6 41.2 54.8 40 40 A E T 3 S- 0 0 188 -2,-0.4 3,-0.1 1,-0.3 4,-0.0 -0.319 106.7 -0.2 -55.1 123.3 56.5 43.7 54.7 41 41 A G T 3 S+ 0 0 72 1,-0.3 -1,-0.3 -2,-0.1 27,-0.2 0.542 127.2 69.6 75.2 7.8 55.4 47.0 56.4 42 42 A G S < S- 0 0 28 -3,-2.1 -1,-0.3 1,-0.4 -3,-0.1 -0.594 88.0 -93.3-133.3-165.9 51.9 45.6 57.2 43 43 A G - 0 0 20 22,-0.3 -4,-2.3 -2,-0.2 -1,-0.4 0.545 41.3-148.9 -83.9-121.8 50.3 43.1 59.4 44 44 A G E -AB 38 65A 10 21,-1.3 21,-3.5 -6,-0.3 2,-0.3 -0.924 6.4-119.5 174.2-157.1 49.6 39.6 58.3 45 45 A G E -AB 37 64A 9 -8,-1.7 -8,-2.5 -2,-0.3 2,-0.5 -0.970 12.9-114.0-164.8 176.1 47.2 36.7 58.7 46 46 A R E -AB 36 63A 38 17,-1.8 17,-2.6 -2,-0.3 2,-0.6 -0.948 27.9-168.3-127.7 109.5 46.3 33.1 59.6 47 47 A T E -AB 35 62A 0 -12,-3.3 -12,-1.9 -2,-0.5 2,-0.5 -0.881 2.1-170.4-104.0 118.7 45.2 31.0 56.7 48 48 A R E -AB 34 61A 35 13,-1.3 13,-2.9 -2,-0.6 2,-0.4 -0.941 9.5-178.3-112.6 127.1 43.6 27.6 57.7 49 49 A V E -AB 33 60A 14 -16,-1.8 -16,-2.8 -2,-0.5 2,-0.4 -0.969 16.3-162.2-133.7 138.4 42.9 25.1 54.9 50 50 A M E - B 0 59A 1 9,-2.1 9,-2.6 -2,-0.4 2,-0.3 -0.953 13.6-176.9-117.0 135.7 41.3 21.6 54.6 51 51 A V E + B 0 58A 78 -2,-0.4 7,-0.2 -20,-0.4 -20,-0.2 -0.966 58.4 2.5-131.1 148.8 41.9 19.3 51.7 52 52 A N S S+ 0 0 113 5,-2.1 5,-0.2 -2,-0.3 -1,-0.2 0.859 76.8 161.5 45.7 55.2 40.5 15.9 50.8 53 53 A G - 0 0 8 3,-2.5 -1,-0.1 -3,-0.1 38,-0.1 -0.382 57.6-104.7 -84.2 176.0 38.2 15.3 53.7 54 54 A A S S+ 0 0 43 -27,-0.2 3,-0.1 -2,-0.1 -1,-0.1 0.614 120.6 9.9 -72.8 -15.5 35.3 12.8 53.7 55 55 A V S S+ 0 0 11 1,-0.3 36,-2.3 36,-0.1 2,-0.7 0.606 125.7 56.3-124.4 -56.4 33.0 15.8 53.3 56 56 A I E + C 0 90A 5 34,-0.3 -3,-2.5 1,-0.2 -1,-0.3 -0.788 50.8 177.4 -91.2 110.7 35.1 18.9 52.5 57 57 A E E S+ 0 0 22 32,-0.9 -5,-2.1 -2,-0.7 2,-0.3 0.856 80.5 7.4 -76.8 -39.7 37.3 18.5 49.5 58 58 A K E S+BC 51 89A 11 31,-1.8 31,-2.9 -7,-0.2 2,-0.4 -0.868 74.9 164.4-149.6 110.5 38.6 22.1 49.6 59 59 A G E -BC 50 88A 3 -9,-2.6 -9,-2.1 -2,-0.3 2,-0.4 -0.953 10.8-173.0-126.2 146.0 37.9 24.5 52.5 60 60 A G E +BC 49 87A 0 27,-2.0 27,-1.7 -2,-0.4 2,-0.3 -0.996 9.3 177.1-138.8 135.5 39.5 27.7 53.5 61 61 A V E -BC 48 86A 0 -13,-2.9 -13,-1.3 -2,-0.4 2,-0.3 -0.824 20.9-176.0-139.1 98.4 39.0 29.9 56.6 62 62 A N E -BC 47 85A 11 23,-3.0 23,-2.7 -2,-0.3 2,-0.4 -0.746 18.8-163.5-106.5 139.3 41.3 32.9 56.6 63 63 A F E +BC 46 84A 22 -17,-2.6 -17,-1.8 -2,-0.3 2,-0.3 -0.928 18.2 178.3-108.8 142.9 42.0 35.6 59.0 64 64 A S E -BC 45 83A 42 19,-2.1 19,-2.1 -2,-0.4 2,-0.6 -0.984 24.8-165.1-146.1 138.1 43.9 38.7 57.9 65 65 A H E -BC 44 82A 17 -21,-3.5 -21,-1.3 -2,-0.3 -22,-0.3 -0.938 23.2-173.3-115.9 101.1 44.9 42.0 59.4 66 66 A V E + C 0 81A 35 15,-3.2 15,-2.7 -2,-0.6 2,-0.1 -0.712 9.4 166.9 -97.1 150.4 45.8 44.2 56.5 67 67 A Y + 0 0 93 -2,-0.3 -25,-0.1 13,-0.2 -1,-0.1 -0.167 7.3 138.4-132.1-148.6 47.4 47.6 57.2 68 68 A G - 0 0 24 -27,-0.2 11,-1.4 -2,-0.1 2,-0.5 -0.042 49.3 -94.5 114.5 158.5 49.2 50.4 55.4 69 69 A K B S+D 78 0A 172 9,-0.2 9,-0.3 1,-0.1 8,-0.2 -0.942 91.7 21.6-109.1 124.2 49.4 54.1 55.1 70 70 A G 0 0 22 7,-1.9 6,-0.2 -2,-0.5 8,-0.1 0.591 360.0 360.0 88.9 123.1 47.2 55.7 52.4 71 71 A L 0 0 110 4,-0.4 -3,-0.1 -3,-0.0 7,-0.1 -0.540 360.0 360.0 -70.0 360.0 44.2 54.1 50.8 72 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 73 81 A D 0 0 183 0, 0.0 2,-0.7 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 111.1 38.4 63.3 52.0 74 82 A M + 0 0 45 1,-0.1 35,-0.0 2,-0.1 34,-0.0 -0.913 360.0 131.5-105.1 108.8 40.6 60.3 53.0 75 83 A T S S+ 0 0 105 -2,-0.7 -4,-0.4 -5,-0.0 -1,-0.1 0.644 82.5 26.8-125.5 -40.9 43.3 59.7 50.4 76 84 A G S S+ 0 0 59 -6,-0.2 2,-0.1 2,-0.1 -6,-0.1 -0.044 93.0 139.2-109.7 29.1 46.6 59.3 52.3 77 85 A C - 0 0 5 -8,-0.2 -7,-1.9 1,-0.1 2,-0.7 -0.435 66.2-102.2 -78.5 145.7 44.8 58.2 55.5 78 86 A N E -DE 69 108A 76 30,-1.7 30,-3.0 -9,-0.3 2,-0.3 -0.579 49.6-163.5 -63.6 110.4 46.2 55.4 57.7 79 87 A F E - 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0 0 0 0, 0.0 -288,-0.3 0, 0.0 3,-0.1 -0.305 17.9-122.4 -69.7 156.6 40.3 25.8 29.3 556 271 B P S S+ 0 0 15 0, 0.0 -289,-1.3 0, 0.0 2,-0.3 0.831 98.9 12.9 -67.9 -30.8 38.0 22.8 29.2 557 272 B R E +I 266 0C 82 -291,-0.2 2,-0.3 2,-0.0 -291,-0.2 -0.989 69.9 177.5-145.4 136.6 39.2 21.8 32.7 558 273 B A E -I 265 0C 0 -293,-2.5 -293,-2.4 -2,-0.3 2,-0.3 -0.968 10.7-154.1-135.0 154.1 41.3 23.7 35.3 559 274 B R E -I 264 0C 39 -39,-2.5 2,-0.3 -2,-0.3 -35,-0.3 -0.937 5.6-170.1-125.2 153.4 42.5 23.0 38.8 560 275 B W + 0 0 16 -297,-0.9 2,-0.3 -2,-0.3 -39,-0.0 -0.995 6.6 176.7-138.2 139.0 43.4 25.0 41.8 561 276 B G > - 0 0 21 -2,-0.3 3,-2.0 -40,-0.1 2,-0.2 -0.993 42.7 -92.4-137.5 147.3 45.0 24.0 45.1 562 277 B Y T 3 S- 0 0 39 -2,-0.3 -306,-0.1 1,-0.3 -307,-0.0 -0.397 109.6 -13.0 -61.3 121.9 46.1 26.0 48.1 563 278 B D T 3 S- 0 0 61 -2,-0.2 -1,-0.3 1,-0.2 2,-0.2 0.861 93.1-176.4 51.0 40.1 49.8 26.9 47.6 564 279 B W < + 0 0 49 -3,-2.0 -1,-0.2 -43,-0.0 -3,-0.1 -0.503 9.5 163.1 -69.9 132.3 49.9 24.4 44.7 565 280 B Q - 0 0 125 -2,-0.2 8,-0.1 3,-0.0 -44,-0.0 -0.987 40.2-104.0-143.3 149.6 53.4 24.1 43.1 566 281 B P - 0 0 24 0, 0.0 3,-0.1 0, 0.0 4,-0.0 -0.298 52.6 -87.0 -65.6 158.8 55.0 21.5 40.9 567 282 B E > - 0 0 143 1,-0.1 3,-0.9 2,-0.1 6,-0.5 -0.467 50.6-108.7 -65.8 135.9 57.4 19.1 42.5 568 283 B P T 3 S+ 0 0 100 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.352 98.7 27.1 -61.8 148.0 61.0 20.5 42.6 569 284 B G T 3 S+ 0 0 81 1,-0.3 -2,-0.1 -3,-0.1 0, 0.0 0.651 99.1 113.0 79.1 17.9 63.6 18.9 40.3 570 285 B T S <> S- 0 0 39 -3,-0.9 4,-1.9 1,-0.1 -1,-0.3 -0.734 83.6-107.7-117.9 163.9 61.0 17.8 37.7 571 286 B P H > S+ 0 0 91 0, 0.0 4,-0.6 0, 0.0 -149,-0.2 0.826 121.6 57.9 -55.8 -32.3 60.1 18.6 34.1 572 287 B E H >> S+ 0 0 41 1,-0.2 3,-0.7 2,-0.2 4,-0.6 0.895 106.8 45.4 -60.7 -47.4 57.0 20.3 35.6 573 288 B A H 3> S+ 0 0 2 -6,-0.5 4,-2.3 1,-0.2 3,-0.4 0.836 101.8 66.9 -67.1 -33.9 59.1 22.6 37.8 574 289 B R H 3X>S+ 0 0 119 -4,-1.9 4,-2.2 1,-0.2 5,-1.6 0.750 88.3 69.6 -64.0 -22.4 61.4 23.4 34.8 575 290 B L H <<>S+ 0 0 3 -3,-0.7 5,-2.7 -4,-0.6 6,-0.3 0.978 113.0 25.1 -53.7 -59.5 58.4 25.2 33.1 576 291 B T H <5S+ 0 0 34 -4,-0.6 -2,-0.2 -3,-0.4 -1,-0.2 0.794 125.6 51.0 -80.6 -30.0 58.3 28.1 35.6 577 292 B E H <5S+ 0 0 133 -4,-2.3 -3,-0.2 3,-0.1 -2,-0.2 0.905 131.5 3.5 -73.4 -44.1 62.0 27.9 36.7 578 293 B Y T >X5S+ 0 0 60 -4,-2.2 4,-1.9 -5,-0.2 3,-0.9 0.841 127.5 43.3-106.9 -67.2 63.5 27.8 33.1 579 294 B F H 3>