==== 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 LYASE 25-MAY-07 2Z2N . COMPND 2 MOLECULE: VIRGINIAMYCIN B LYASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR M.KORCZYNSKA,A.M.BERGHUIS . 293 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12292.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 200 68.3 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 . 129 44.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 2.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 13 4.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 1 0.3 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 . 25 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 8 2.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.0 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 . 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 . 0 0 0 7 12 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 7 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 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 2 A E 0 0 203 0, 0.0 292,-0.9 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 172.6 34.6 0.2 7.1 2 3 A F E -A 292 0A 51 290,-0.2 2,-0.4 291,-0.1 290,-0.2 -0.984 360.0-122.1-171.4 153.0 34.1 1.8 10.5 3 4 A K E -A 291 0A 107 288,-3.4 288,-2.5 -2,-0.3 2,-0.4 -0.930 22.2-163.6-118.1 134.7 35.3 2.3 14.0 4 5 A L E +A 290 0A 34 -2,-0.4 2,-0.3 286,-0.2 286,-0.2 -0.988 9.7 175.3-122.0 130.7 33.3 1.6 17.2 5 6 A Q E -A 289 0A 124 284,-2.6 284,-2.7 -2,-0.4 2,-0.3 -0.836 16.8-144.4-116.1 161.8 33.9 2.7 20.8 6 7 A E E -A 288 0A 51 -2,-0.3 2,-0.5 282,-0.2 282,-0.2 -0.962 5.9-150.9-127.4 150.7 31.7 2.1 23.9 7 8 A L E -A 287 0A 45 280,-2.5 280,-1.8 -2,-0.3 2,-0.4 -0.979 17.8-141.4-116.2 125.9 30.8 3.9 27.0 8 9 A N E +A 286 0A 107 -2,-0.5 278,-0.2 278,-0.2 277,-0.1 -0.733 26.5 166.4 -86.0 138.4 29.9 2.0 30.1 9 10 A L + 0 0 16 276,-2.4 2,-0.9 -2,-0.4 277,-0.1 0.546 16.6 159.8-113.8 -8.6 27.0 3.3 32.2 10 11 A T + 0 0 59 275,-0.5 276,-0.0 1,-0.1 -2,-0.0 -0.351 26.7 142.4 -81.2 62.9 26.1 0.6 34.6 11 12 A N S S- 0 0 78 -2,-0.9 -1,-0.1 1,-0.1 2,-0.1 0.862 92.1 -67.3 -57.0 -31.8 24.1 1.1 38.0 12 13 A Q S S- 0 0 124 -3,-0.0 2,-0.5 0, 0.0 -2,-0.1 -0.393 95.0 -19.7-167.3 -91.5 22.6 -2.2 36.9 13 14 A D S S+ 0 0 97 1,-0.1 271,-0.1 -2,-0.1 270,-0.0 -0.843 71.7 166.3-122.1 89.0 20.3 -3.3 34.0 14 15 A T - 0 0 0 -2,-0.5 20,-1.9 19,-0.2 19,-1.7 0.643 41.6-125.5 -85.8 -14.7 19.1 0.2 33.5 15 16 A G - 0 0 0 268,-0.6 17,-2.1 17,-0.2 268,-0.1 0.976 23.1-152.5 63.8 61.9 17.4 -0.2 30.1 16 17 A P E +D 31 0B 0 0, 0.0 15,-0.3 0, 0.0 -1,-0.1 -0.422 34.9 147.0 -58.1 136.0 19.2 2.6 28.1 17 18 A Y E + 0 0 33 13,-2.4 253,-2.4 1,-0.5 264,-0.3 0.508 44.1 42.5-141.4 -67.0 16.7 3.7 25.4 18 19 A G E - 0 0 9 41,-0.5 12,-2.1 251,-0.1 -1,-0.5 -0.652 62.3-174.7 -99.1 150.0 16.5 7.2 24.1 19 20 A I E +D 29 0B 15 -2,-0.3 2,-0.3 10,-0.2 252,-0.2 -1.000 12.2 163.4-147.0 142.1 19.6 9.3 23.3 20 21 A T E -D 28 0B 23 8,-2.4 8,-2.7 -2,-0.3 2,-0.4 -0.979 21.4-140.5-150.8 166.8 20.5 12.7 22.3 21 22 A V E -D 27 0B 19 -2,-0.3 6,-0.2 6,-0.2 42,-0.1 -0.996 13.6-133.2-136.2 129.5 23.6 14.9 22.3 22 23 A S > - 0 0 9 4,-2.8 3,-1.6 -2,-0.4 -2,-0.0 -0.356 26.2-119.5 -70.4 157.6 24.1 18.6 23.1 23 24 A D T 3 S+ 0 0 177 1,-0.3 -1,-0.1 2,-0.1 251,-0.0 0.574 120.4 67.7 -73.3 -4.4 26.1 20.9 20.8 24 25 A K T 3 S- 0 0 100 2,-0.1 -1,-0.3 17,-0.0 3,-0.1 0.725 121.6-113.8 -77.2 -23.2 28.0 21.1 24.0 25 26 A G S < S+ 0 0 25 -3,-1.6 2,-0.3 1,-0.4 -2,-0.1 0.387 71.0 138.4 104.1 -0.6 29.0 17.4 23.4 26 27 A K - 0 0 58 15,-0.1 -4,-2.8 13,-0.0 2,-0.4 -0.575 44.3-144.5 -72.7 136.3 27.1 16.1 26.4 27 28 A V E -DE 21 40B 2 13,-2.4 13,-2.2 -2,-0.3 2,-0.4 -0.872 12.3-166.0-106.3 141.3 25.2 12.9 25.8 28 29 A W E +DE 20 39B 12 -8,-2.7 -8,-2.4 -2,-0.4 2,-0.4 -0.979 9.2 178.8-125.4 136.8 21.8 12.3 27.5 29 30 A I E -DE 19 38B 0 9,-2.4 9,-2.4 -2,-0.4 2,-0.3 -0.993 23.2-132.0-138.7 139.1 20.1 9.0 27.7 30 31 A T E - E 0 37B 0 -12,-2.1 -13,-2.4 -2,-0.4 2,-0.4 -0.712 12.7-160.7 -90.3 153.7 17.0 7.7 29.2 31 32 A Q E >> -DE 16 36B 0 5,-2.1 5,-1.8 -2,-0.3 4,-1.0 -0.883 6.7-175.8-134.6 95.4 17.1 4.6 31.3 32 33 A H T 45S+ 0 0 45 -17,-2.1 25,-0.4 -2,-0.4 26,-0.2 0.797 81.8 45.2 -77.7 -24.4 13.6 3.1 31.7 33 34 A K T 45S+ 0 0 96 -19,-1.7 -18,-0.2 1,-0.2 -1,-0.2 0.931 116.9 44.7 -83.3 -45.6 14.4 0.2 34.0 34 35 A A T 45S- 0 0 29 -20,-1.9 -2,-0.2 2,-0.1 -1,-0.2 0.582 106.4-131.3 -68.9 -10.1 16.5 2.4 36.4 35 36 A N T <5 + 0 0 21 -4,-1.0 16,-2.8 -21,-0.3 2,-0.3 0.940 66.7 101.9 58.0 51.3 13.9 5.1 36.2 36 37 A X E < -EF 31 50B 15 -5,-1.8 -5,-2.1 14,-0.3 2,-0.4 -0.958 67.0-125.4-155.3 164.7 16.4 7.9 35.5 37 38 A I E -EF 30 49B 0 12,-1.8 12,-3.3 -2,-0.3 2,-0.4 -0.973 29.4-165.0-118.2 131.6 18.0 10.2 33.0 38 39 A S E -EF 29 48B 2 -9,-2.4 -9,-2.4 -2,-0.4 2,-0.4 -0.954 7.4-166.4-117.8 142.9 21.8 10.1 32.8 39 40 A C E -EF 28 47B 3 8,-2.5 8,-2.3 -2,-0.4 2,-0.4 -0.971 0.8-167.2-123.5 144.3 24.2 12.6 31.2 40 41 A I E -EF 27 46B 16 -13,-2.2 -13,-2.4 -2,-0.4 6,-0.2 -0.999 10.7-150.5-124.6 126.3 27.9 12.0 30.5 41 42 A N > - 0 0 25 4,-2.2 3,-1.8 -2,-0.4 -15,-0.1 -0.312 34.4 -99.9 -86.0 174.4 30.2 14.8 29.5 42 43 A L T 3 S+ 0 0 152 1,-0.3 -1,-0.1 2,-0.1 -17,-0.0 0.933 124.7 56.2 -68.1 -36.6 33.2 14.4 27.3 43 44 A D T 3 S- 0 0 125 1,-0.1 -1,-0.3 2,-0.1 -2,-0.0 0.385 122.7-108.8 -69.3 4.7 35.5 14.4 30.3 44 45 A G < + 0 0 36 -3,-1.8 2,-0.2 1,-0.3 -2,-0.1 0.341 64.9 150.7 88.1 -6.3 33.4 11.4 31.6 45 46 A K - 0 0 124 -5,-0.1 -4,-2.2 1,-0.0 2,-0.4 -0.436 30.5-156.4 -55.5 125.6 31.5 13.0 34.5 46 47 A I E -F 40 0B 76 -6,-0.2 2,-0.4 -2,-0.2 -6,-0.2 -0.915 12.7-170.4-110.7 131.3 28.2 11.3 34.9 47 48 A T E -F 39 0B 52 -8,-2.3 -8,-2.5 -2,-0.4 2,-0.5 -0.996 6.4-160.7-119.4 129.3 25.1 12.7 36.5 48 49 A E E -F 38 0B 81 -2,-0.4 -10,-0.2 -10,-0.2 -2,-0.0 -0.943 1.9-161.0-111.6 127.7 22.1 10.5 37.1 49 50 A Y E -F 37 0B 46 -12,-3.3 -12,-1.8 -2,-0.5 2,-0.1 -0.915 12.0-146.9-110.8 99.3 18.8 12.2 37.7 50 51 A P E -F 36 0B 96 0, 0.0 -14,-0.3 0, 0.0 -15,-0.1 -0.460 24.4-116.5 -66.9 134.2 16.3 9.8 39.5 51 52 A L - 0 0 13 -16,-2.8 4,-0.1 1,-0.1 5,-0.0 -0.541 11.0-137.9 -68.0 140.2 12.8 10.5 38.3 52 53 A P S S+ 0 0 78 0, 0.0 -1,-0.1 0, 0.0 38,-0.0 0.860 91.2 67.5 -62.3 -38.3 10.4 11.8 41.0 53 54 A T S > S- 0 0 24 1,-0.0 3,-0.7 -3,-0.0 -2,-0.1 -0.742 89.8-129.7 -85.2 120.5 7.6 9.5 39.7 54 55 A P T 3 S+ 0 0 96 0, 0.0 -19,-0.1 0, 0.0 -1,-0.0 -0.308 83.6 7.6 -70.0 152.1 8.4 5.8 40.3 55 56 A D T 3 S+ 0 0 134 1,-0.1 -22,-0.0 -22,-0.1 -23,-0.0 0.837 78.3 154.1 45.4 49.6 8.1 3.3 37.5 56 57 A A < - 0 0 0 -3,-0.7 19,-1.8 19,-0.1 20,-1.4 0.570 49.0-132.7 -84.1 -10.5 7.4 6.1 35.0 57 58 A K - 0 0 92 -25,-0.4 17,-2.2 17,-0.2 2,-0.3 0.971 23.3-152.6 49.1 62.6 8.7 4.2 32.0 58 59 A V E +G 73 0C 0 15,-0.3 15,-0.2 -26,-0.2 -1,-0.2 -0.524 27.8 161.6 -65.7 127.0 10.8 7.1 30.6 59 60 A X E + 0 0 9 13,-2.4 -41,-0.5 1,-0.3 2,-0.2 0.752 44.9 19.2-114.5 -79.2 11.1 6.6 26.9 60 61 A C E - 0 0 13 41,-0.6 12,-2.0 40,-0.1 2,-0.3 -0.636 54.7-176.0-110.1 155.4 12.1 9.5 24.7 61 62 A L E -G 71 0C 17 -2,-0.2 2,-0.3 10,-0.2 10,-0.2 -0.990 5.1-173.7-143.6 166.1 13.8 12.8 25.2 62 63 A T E -G 70 0C 22 8,-2.0 8,-2.6 -2,-0.3 2,-0.5 -0.979 24.8-125.2-151.1 157.7 14.9 15.9 23.4 63 64 A I E -G 69 0C 35 -2,-0.3 6,-0.2 6,-0.2 42,-0.2 -0.955 29.5-138.6-109.7 121.0 16.9 19.0 24.1 64 65 A S > - 0 0 8 4,-2.7 3,-2.3 -2,-0.5 46,-0.0 -0.206 28.2-102.8 -72.4 164.6 15.0 22.3 23.5 65 66 A S T 3 S+ 0 0 110 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.824 123.9 57.2 -62.2 -24.9 16.7 25.3 21.8 66 67 A D T 3 S- 0 0 97 2,-0.1 -1,-0.3 1,-0.0 18,-0.1 0.291 123.7-105.9 -93.0 6.9 17.0 26.9 25.2 67 68 A G S < S+ 0 0 16 -3,-2.3 -2,-0.1 1,-0.3 2,-0.1 0.317 74.4 132.7 98.3 -5.7 19.0 23.9 26.4 68 69 A E - 0 0 18 -5,-0.1 -4,-2.7 1,-0.0 2,-0.5 -0.445 53.2-124.8 -79.8 155.1 16.4 22.1 28.6 69 70 A V E -GH 63 82C 2 13,-1.8 13,-3.0 -6,-0.2 2,-0.4 -0.894 25.0-169.3-101.7 128.3 15.8 18.4 28.4 70 71 A W E +GH 62 81C 7 -8,-2.6 -8,-2.0 -2,-0.5 2,-0.3 -0.912 11.9 173.4-114.6 145.4 12.2 17.3 27.8 71 72 A F E -GH 61 80C 0 9,-2.4 9,-3.0 -2,-0.4 2,-0.4 -0.971 28.4-115.8-153.1 161.8 11.0 13.7 28.1 72 73 A T E - H 0 79C 0 -12,-2.0 -13,-2.4 -2,-0.3 2,-0.7 -0.868 7.7-157.7-106.6 137.0 8.2 11.4 28.1 73 74 A E E >> -GH 58 78C 0 5,-2.7 5,-1.5 -2,-0.4 4,-1.0 -0.900 15.8-174.3-106.2 90.4 7.0 9.2 31.0 74 75 A N T 45S+ 0 0 29 -17,-2.2 25,-0.3 -2,-0.7 -17,-0.2 0.789 80.4 34.8 -62.8 -38.6 5.2 6.5 29.1 75 76 A A T 45S+ 0 0 64 -19,-1.8 -1,-0.2 1,-0.1 -18,-0.2 0.598 118.7 51.4 -94.0 -16.9 3.7 4.6 32.1 76 77 A A T 45S- 0 0 24 -20,-1.4 -2,-0.2 -3,-0.2 -1,-0.1 0.426 101.8-124.0-103.0 -0.1 3.2 7.6 34.4 77 78 A N T <5 + 0 0 20 -4,-1.0 16,-2.9 -21,-0.2 2,-0.3 0.847 68.0 122.1 64.8 42.8 1.2 9.8 31.9 78 79 A K E < -HI 73 92C 39 -5,-1.5 -5,-2.7 14,-0.2 2,-0.4 -0.934 58.5-142.3-139.5 152.7 3.6 12.7 32.2 79 80 A I E -HI 72 91C 0 12,-2.3 12,-2.6 -2,-0.3 2,-0.3 -0.951 30.4-160.3-106.6 128.1 5.9 15.0 30.3 80 81 A G E -HI 71 90C 0 -9,-3.0 -9,-2.4 -2,-0.4 2,-0.3 -0.714 9.5-167.1-107.5 164.8 9.1 15.9 32.2 81 82 A R E -HI 70 89C 8 8,-2.2 8,-2.5 -2,-0.3 2,-0.6 -0.970 12.6-152.0-150.6 131.9 11.6 18.6 31.9 82 83 A I E -HI 69 88C 3 -13,-3.0 -13,-1.8 -2,-0.3 6,-0.2 -0.954 26.4-148.0-106.6 120.2 15.1 19.1 33.4 83 84 A T > - 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