==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ANTIBACTERIAL AND ANTITUMOR PROTEIN 13-JUL-93 1NCO . COMPND 2 MOLECULE: HOLO-NEOCARZINOSTATIN; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES CARZINOSTATICUS; . AUTHOR K.-H.KIM,B.-M.KWON,A.G.MYERS,D.C.REES . 226 2 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11369.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 147 65.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 86 38.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 8 3.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.9 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 . 23 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 2 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 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 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 2 2 0 4 4 4 0 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 . 0 2 0 0 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 A 0 0 68 0, 0.0 217,-0.9 0, 0.0 219,-0.1 0.000 360.0 360.0 360.0 83.9 51.0 -4.5 7.6 2 2 A A - 0 0 18 215,-0.2 2,-0.1 1,-0.1 24,-0.1 -0.386 360.0 -95.0 -55.8 145.6 48.8 -1.6 6.2 3 3 A P - 0 0 17 0, 0.0 103,-0.5 0, 0.0 2,-0.4 -0.441 47.1-164.0 -67.1 142.5 45.2 -2.1 7.5 4 4 A T E -A 24 0A 75 20,-2.3 20,-2.0 101,-0.2 2,-0.4 -0.932 14.3-162.6-126.6 151.2 42.9 -3.9 5.1 5 5 A A E -A 23 0A 15 -2,-0.4 2,-0.4 101,-0.2 18,-0.2 -0.961 6.3-173.1-122.2 142.5 39.1 -4.4 4.7 6 6 A T E -A 22 0A 76 16,-1.9 16,-2.4 -2,-0.4 2,-0.4 -0.989 5.6-163.1-129.9 139.1 37.5 -7.1 2.6 7 7 A V E -A 21 0A 6 -2,-0.4 14,-0.2 14,-0.2 -2,-0.0 -0.998 16.5-135.0-128.8 123.9 33.7 -7.2 2.0 8 8 A T E S+A 20 0A 83 12,-2.3 12,-2.7 -2,-0.4 2,-0.1 -0.993 85.2 17.8-133.0 126.0 32.1 -10.4 0.8 9 9 A P S S+ 0 0 67 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 0.701 73.2 168.7 -72.1 163.5 30.0 -10.4 -1.4 10 10 A S + 0 0 47 -2,-0.1 101,-2.1 1,-0.1 2,-0.3 0.467 57.4 40.0-120.1 0.1 30.7 -6.9 -2.9 11 11 A S S S+ 0 0 83 99,-0.2 101,-0.2 1,-0.2 3,-0.1 -0.912 97.2 39.5-142.1 169.9 28.6 -6.9 -6.2 12 12 A G S S+ 0 0 56 -2,-0.3 100,-0.2 100,-0.3 -1,-0.2 0.847 83.9 163.1 59.1 32.9 25.3 -8.1 -7.5 13 13 A L B -c 112 0B 4 98,-2.3 100,-0.9 -3,-0.2 2,-0.2 -0.480 26.8-153.6 -85.7 155.0 23.9 -7.0 -4.1 14 14 A S > - 0 0 62 98,-0.2 3,-2.1 -2,-0.2 2,-0.2 -0.722 38.6 -78.4-115.6 171.1 20.3 -6.4 -3.2 15 15 A D T 3 S+ 0 0 74 1,-0.3 55,-0.2 -2,-0.2 -1,-0.1 -0.517 123.1 21.3 -69.6 131.1 18.7 -4.2 -0.5 16 16 A G T 3 S+ 0 0 27 53,-2.3 -1,-0.3 1,-0.3 54,-0.2 0.418 83.7 151.1 91.9 -4.3 19.1 -6.0 2.7 17 17 A T < - 0 0 37 -3,-2.1 52,-3.0 52,-0.1 2,-0.6 -0.379 40.8-138.3 -63.2 137.0 22.0 -8.3 1.6 18 18 A V E - B 0 68A 82 50,-0.2 2,-0.3 48,-0.1 50,-0.3 -0.866 23.9-169.1 -96.4 122.8 24.2 -9.2 4.6 19 19 A V E - B 0 67A 2 48,-2.9 48,-2.4 -2,-0.6 2,-0.5 -0.761 21.1-123.3-108.7 154.6 27.9 -9.0 3.8 20 20 A K E -AB 8 66A 127 -12,-2.7 -12,-2.3 -2,-0.3 2,-0.5 -0.909 22.3-161.6 -96.8 124.7 30.9 -10.2 5.8 21 21 A V E -AB 7 65A 1 44,-2.8 44,-1.3 -2,-0.5 2,-0.5 -0.948 6.6-172.0-108.7 115.8 33.4 -7.4 6.6 22 22 A A E -AB 6 64A 32 -16,-2.4 -16,-1.9 -2,-0.5 2,-0.3 -0.965 2.1-171.9-112.5 126.4 36.9 -8.7 7.6 23 23 A G E +AB 5 63A 4 40,-2.7 40,-2.0 -2,-0.5 2,-0.3 -0.875 6.2 175.3-112.4 145.4 39.5 -6.1 8.8 24 24 A A E +A 4 0A 35 -20,-2.0 -20,-2.3 -2,-0.3 38,-0.2 -0.962 59.4 43.5-144.8 161.9 43.2 -6.9 9.4 25 25 A G S S+ 0 0 16 35,-0.4 193,-0.2 -2,-0.3 37,-0.2 0.801 84.2 141.1 69.8 25.7 46.2 -4.8 10.4 26 26 A L - 0 0 3 35,-2.4 2,-0.5 34,-0.1 -1,-0.2 -0.429 63.3 -84.6 -92.0 174.0 43.9 -3.0 12.9 27 27 A Q > - 0 0 51 -2,-0.1 3,-2.3 -3,-0.1 30,-0.4 -0.716 46.5-116.1 -78.3 122.5 44.8 -1.8 16.4 28 28 A A T 3 S+ 0 0 54 -2,-0.5 30,-0.2 1,-0.3 31,-0.2 -0.250 100.2 10.8 -59.0 134.2 44.5 -4.7 19.0 29 29 A G T 3 S+ 0 0 57 28,-2.9 -1,-0.3 1,-0.2 2,-0.2 0.326 96.5 127.0 74.3 -9.3 41.7 -3.7 21.5 30 30 A T < - 0 0 30 -3,-2.3 27,-2.8 28,-0.2 2,-0.4 -0.559 56.6-131.8 -80.8 148.7 40.4 -0.7 19.4 31 31 A A E -D 56 0C 59 25,-0.3 69,-0.4 -2,-0.2 2,-0.4 -0.818 24.2-162.7 -92.1 140.0 36.7 -0.6 18.6 32 32 A Y E -D 55 0C 7 23,-3.3 23,-2.1 -2,-0.4 2,-0.3 -0.969 17.3-129.7-126.9 138.2 35.8 0.1 15.0 33 33 A D E -DE 54 98C 80 65,-3.1 65,-1.5 -2,-0.4 2,-0.5 -0.674 21.0-156.2 -76.0 143.5 32.6 1.2 13.4 34 34 A V E +DE 53 97C 0 19,-2.3 19,-2.7 -2,-0.3 2,-0.3 -0.995 34.6 128.8-122.4 126.3 31.6 -0.9 10.5 35 35 A G E - E 0 96C 8 61,-2.1 61,-2.3 -2,-0.5 2,-0.4 -0.990 53.3 -99.7-168.8 174.0 29.2 0.8 8.0 36 36 A Q E + E 0 95C 2 12,-0.3 12,-2.4 -2,-0.3 2,-0.3 -0.916 40.0 163.5-109.0 135.9 28.2 1.8 4.5 37 37 A a E -FE 47 94C 15 57,-2.3 57,-2.7 -2,-0.4 2,-0.3 -0.923 24.5-145.9-146.2 162.5 28.8 5.3 3.2 38 38 A A E -FE 46 93C 0 8,-2.5 8,-2.5 -2,-0.3 2,-0.5 -0.994 24.9-121.5-133.7 137.6 28.8 7.3 -0.2 39 39 A W E +F 45 0C 131 53,-0.9 53,-0.4 -2,-0.3 6,-0.3 -0.679 35.7 171.5 -76.0 120.7 31.1 10.2 -1.1 40 40 A V E + 0 0 35 4,-3.1 2,-0.3 -2,-0.5 5,-0.2 0.407 63.8 6.8-111.0 -0.6 28.6 13.0 -1.9 41 41 A D E > S-F 44 0C 110 3,-1.0 3,-2.7 0, 0.0 -1,-0.4 -0.939 105.7 -59.3-168.1 165.0 31.0 16.0 -2.2 42 42 A T T 3 S- 0 0 133 1,-0.3 3,-0.1 -2,-0.3 -2,-0.0 -0.366 128.2 -5.3 -58.3 118.7 34.9 16.4 -2.2 43 43 A G T 3 S+ 0 0 70 1,-0.2 2,-0.5 -2,-0.1 -1,-0.3 0.759 110.9 120.5 68.3 21.1 35.9 15.1 1.2 44 44 A V E < -F 41 0C 42 -3,-2.7 -4,-3.1 33,-0.0 -3,-1.0 -0.955 39.9-173.4-126.2 120.2 32.3 14.5 2.3 45 45 A L E -F 39 0C 55 -2,-0.5 2,-0.5 -6,-0.3 33,-0.4 -0.913 9.2-161.7-105.9 136.1 30.8 11.1 3.2 46 46 A A E -F 38 0C 0 -8,-2.5 -8,-2.5 -2,-0.5 31,-0.2 -0.976 24.0-166.7-114.2 122.8 27.2 10.6 3.9 47 47 A a E -FG 37 76C 19 29,-3.0 29,-2.4 -2,-0.5 -10,-0.3 -0.582 29.7-120.9-109.8 169.2 26.7 7.3 5.8 48 48 A N > + 0 0 11 -12,-2.4 3,-1.9 27,-0.2 4,-0.5 -0.712 33.4 170.0-104.8 74.5 24.0 4.9 6.9 49 49 A P G > + 0 0 59 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 0.829 68.1 74.8 -63.4 -21.9 24.2 4.9 10.8 50 50 A A G 3 S+ 0 0 87 1,-0.3 -2,-0.0 24,-0.2 23,-0.0 0.653 107.7 32.4 -63.6 -17.3 20.9 2.9 11.1 51 51 A D G < S+ 0 0 37 -3,-1.9 17,-0.5 -15,-0.1 -1,-0.3 0.383 87.9 130.1-119.8 6.1 22.8 -0.2 10.0 52 52 A F < - 0 0 74 -3,-1.2 -17,-0.2 -4,-0.5 2,-0.2 -0.205 35.9-169.3 -57.7 141.2 26.3 0.5 11.5 53 53 A S E -D 34 0C 43 -19,-2.7 -19,-2.3 12,-0.0 2,-0.3 -0.675 10.6-130.4-122.5-175.9 27.8 -2.3 13.5 54 54 A S E -D 33 0C 85 -21,-0.2 2,-0.3 -2,-0.2 -21,-0.2 -0.986 18.0-179.4-139.8 145.9 30.8 -2.4 15.8 55 55 A V E -D 32 0C 15 -23,-2.1 -23,-3.3 -2,-0.3 2,-0.5 -0.992 18.6-145.9-138.3 145.7 33.9 -4.7 16.2 56 56 A T E -D 31 0C 93 -2,-0.3 -25,-0.3 -25,-0.3 2,-0.1 -0.964 32.8-118.2-105.9 129.0 36.8 -4.6 18.6 57 57 A A - 0 0 3 -27,-2.8 -28,-2.9 -2,-0.5 6,-0.2 -0.422 30.0-127.1 -65.7 137.1 40.0 -5.8 17.0 58 58 A D > - 0 0 82 4,-3.0 3,-2.6 -30,-0.2 -28,-0.2 -0.011 36.2 -81.7 -75.4-174.1 41.5 -8.9 18.6 59 59 A A T 3 S+ 0 0 93 1,-0.3 -31,-0.2 -31,-0.2 -1,-0.1 0.834 131.9 52.7 -61.9 -31.2 45.1 -9.5 19.9 60 60 A N T 3 S- 0 0 140 2,-0.1 -35,-0.4 -33,-0.1 -1,-0.3 0.248 120.1-108.5 -83.5 12.4 46.2 -10.2 16.3 61 61 A G S < S+ 0 0 3 -3,-2.6 -35,-2.4 1,-0.2 2,-0.3 0.722 78.3 128.7 67.8 18.9 44.7 -6.9 15.0 62 62 A S + 0 0 43 -38,-0.2 -4,-3.0 -37,-0.2 2,-0.3 -0.742 30.9 174.4-106.1 158.3 41.9 -8.8 13.1 63 63 A A E -B 23 0A 9 -40,-2.0 -40,-2.7 -2,-0.3 2,-0.3 -0.968 6.2-177.1-155.1 153.6 38.1 -8.3 13.2 64 64 A S E +B 22 0A 78 -2,-0.3 2,-0.3 -42,-0.2 -42,-0.2 -0.972 14.4 149.7-149.1 145.3 35.0 -9.8 11.3 65 65 A T E -B 21 0A 35 -44,-1.3 -44,-2.8 -2,-0.3 2,-0.3 -0.967 41.0-108.2-164.6 169.5 31.4 -9.0 11.5 66 66 A S E -B 20 0A 69 -2,-0.3 2,-0.4 -46,-0.2 -46,-0.2 -0.744 28.3-165.9-100.3 160.4 28.4 -9.0 9.3 67 67 A L E -B 19 0A 5 -48,-2.4 -48,-2.9 -2,-0.3 2,-0.6 -0.992 17.4-135.4-142.4 137.1 26.8 -5.8 8.0 68 68 A T E -B 18 0A 43 -17,-0.5 -50,-0.2 -2,-0.4 2,-0.2 -0.854 28.1-153.0 -92.0 123.3 23.4 -5.4 6.3 69 69 A V - 0 0 0 -52,-3.0 -53,-2.3 -2,-0.6 2,-0.4 -0.597 2.5-145.5 -97.6 160.2 23.7 -3.2 3.3 70 70 A R - 0 0 72 -55,-0.2 -55,-0.1 -2,-0.2 3,-0.1 -0.988 14.4-149.0-128.2 134.3 21.1 -1.0 1.7 71 71 A R S S+ 0 0 92 -2,-0.4 17,-2.9 1,-0.2 2,-0.3 0.878 96.7 13.6 -64.9 -38.6 20.5 -0.1 -2.0 72 72 A S E S+ H 0 87C 49 15,-0.3 2,-0.3 16,-0.1 -1,-0.2 -0.962 78.3 165.9-135.3 145.5 19.1 3.3 -0.9 73 73 A F E - H 0 86C 10 13,-1.6 13,-3.3 -2,-0.3 2,-0.7 -0.976 46.1 -95.2-156.4 155.8 19.5 4.9 2.5 74 74 A E E - H 0 85C 69 -2,-0.3 2,-0.4 11,-0.3 11,-0.2 -0.716 49.6-141.0 -74.2 111.7 19.0 8.2 4.3 75 75 A G E - H 0 84C 0 9,-2.8 8,-3.3 -2,-0.7 9,-1.2 -0.698 17.0-164.4 -88.6 132.5 22.6 9.5 4.2 76 76 A F E -GH 47 82C 48 -29,-2.4 -29,-3.0 -2,-0.4 6,-0.2 -0.910 14.1-133.3-116.2 134.6 24.0 11.4 7.3 77 77 A L > - 0 0 37 4,-3.1 3,-2.3 -2,-0.4 -31,-0.2 -0.343 44.9 -84.2 -76.6 170.6 27.0 13.5 7.3 78 78 A F T 3 S+ 0 0 196 -33,-0.4 -1,-0.1 1,-0.3 -32,-0.1 0.767 127.7 48.3 -50.3 -32.4 29.6 13.1 10.2 79 79 A D T 3 S- 0 0 98 2,-0.1 -1,-0.3 1,-0.0 -2,-0.0 0.131 123.8 -96.4 -95.3 16.0 27.7 15.4 12.6 80 80 A G S < S+ 0 0 49 -3,-2.3 2,-0.2 1,-0.3 -2,-0.1 0.434 75.8 143.7 85.2 -4.6 24.3 13.8 12.1 81 81 A T - 0 0 74 1,-0.1 -4,-3.1 -5,-0.1 -1,-0.3 -0.565 54.6-119.1 -66.4 131.5 23.0 16.4 9.5 82 82 A R E -H 76 0C 142 -2,-0.2 -6,-0.2 -6,-0.2 3,-0.1 -0.515 27.2-174.4 -68.8 130.2 20.8 14.5 6.9 83 83 A W E - 0 0 128 -8,-3.3 2,-0.3 1,-0.4 -1,-0.2 0.788 48.9 -98.9 -87.4 -49.5 22.3 15.0 3.5 84 84 A G E -H 75 0C 20 -9,-1.2 -9,-2.8 -11,-0.1 2,-0.4 -0.915 58.0 -33.8 151.6-173.8 19.4 13.3 1.7 85 85 A T E -H 74 0C 84 -2,-0.3 2,-0.5 -11,-0.2 -11,-0.3 -0.595 54.5-149.8 -79.3 122.3 18.6 9.8 0.2 86 86 A V E -H 73 0C 3 -13,-3.3 -13,-1.6 -2,-0.4 2,-0.7 -0.833 3.8-158.7 -91.0 124.3 21.7 8.1 -1.2 87 87 A D E >> -H 72 0C 67 -2,-0.5 4,-2.8 -15,-0.2 3,-0.8 -0.927 2.8-160.1 -99.1 109.7 20.8 5.8 -4.2 88 88 A b T 34 S+ 0 0 5 -17,-2.9 5,-0.4 -2,-0.7 24,-0.3 0.599 84.5 67.3 -70.3 -7.0 23.8 3.4 -4.4 89 89 A T T 34 S+ 0 0 66 -18,-0.3 -1,-0.2 1,-0.1 -17,-0.1 0.888 119.4 24.1 -75.5 -33.1 23.1 2.3 -8.0 90 90 A T T <4 S+ 0 0 126 -3,-0.8 -2,-0.2 2,-0.0 2,-0.2 0.759 118.5 67.4 -89.0 -35.6 24.0 5.8 -8.9 91 91 A A S < S- 0 0 29 -4,-2.8 2,-1.4 1,-0.1 -51,-0.1 -0.488 89.6-107.8 -96.8 162.9 26.2 6.9 -6.0 92 92 A A - 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