==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 20-DEC-12 3ZH4 . COMPND 2 MOLECULE: UDP-N-ACETYLGLUCOSAMINE 1-CARBOXYVINYLTRANSFERASE . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS PNEUMONIAE; . AUTHOR J.GUTIERREZ-FERNANDEZ,J.A.HERMOSO . 411 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17106.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 307 74.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 31 7.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 61 14.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 35 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 50 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 102 24.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.5 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 1 0 1 1 0 0 3 3 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 1 2 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 0 0 PARALLEL BRIDGES PER LADDER . 2 2 2 5 3 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 6 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 1 A M 0 0 214 0, 0.0 2,-0.4 0, 0.0 385,-0.0 0.000 360.0 360.0 360.0 -20.7 -24.1 1.7 0.5 2 2 A R + 0 0 91 411,-0.2 386,-0.5 409,-0.0 385,-0.4 -0.844 360.0 164.6-109.1 137.1 -24.3 4.9 -1.5 3 3 A K E -A 412 0A 63 409,-2.4 409,-3.0 -2,-0.4 2,-0.5 -0.961 32.6-125.8-138.3 159.2 -25.6 5.4 -5.0 4 4 A I E -AB 411 385A 1 381,-2.2 381,-2.7 -2,-0.3 2,-0.5 -0.925 23.7-158.9-102.4 130.4 -26.6 8.4 -7.1 5 5 A V E -AB 410 384A 20 405,-2.7 405,-2.0 -2,-0.5 2,-0.4 -0.951 10.9-177.1-113.4 127.4 -30.1 8.2 -8.6 6 6 A I E -AB 409 383A 0 377,-2.9 377,-3.1 -2,-0.5 2,-0.7 -0.984 21.3-160.1-125.6 129.7 -31.0 10.4 -11.6 7 7 A N E -AB 408 382A 63 401,-2.3 401,-0.5 -2,-0.4 375,-0.2 -0.927 37.0-173.3-101.5 105.8 -34.3 10.7 -13.4 8 8 A G + 0 0 12 373,-1.7 373,-0.4 -2,-0.7 370,-0.2 -0.051 47.5 77.5 -96.6-171.1 -33.0 12.1 -16.7 9 9 A G S S+ 0 0 28 368,-2.6 369,-0.1 1,-0.3 -1,-0.1 0.658 71.8 118.7 86.6 17.3 -34.4 13.5 -20.0 10 10 A L - 0 0 93 367,-0.7 -1,-0.3 -3,-0.1 2,-0.1 -0.941 67.3-112.0-122.7 137.9 -35.1 16.9 -18.5 11 11 A P - 0 0 81 0, 0.0 2,-0.2 0, 0.0 232,-0.2 -0.424 29.5-147.6 -70.1 139.4 -33.7 20.3 -19.4 12 12 A L E +d 243 0B 3 230,-2.3 232,-2.8 227,-0.1 2,-0.3 -0.691 20.6 171.7-104.2 159.1 -31.4 22.0 -16.9 13 13 A Q E + 0 0 107 392,-2.2 2,-0.4 -2,-0.2 233,-0.2 -0.976 28.9 54.3-167.5 146.6 -31.1 25.8 -16.3 14 14 A G E S-d 246 0B 34 231,-1.9 233,-2.6 -2,-0.3 2,-0.3 -0.972 77.4 -54.4 130.8-140.4 -29.6 28.3 -14.0 15 15 A E E -d 247 0B 99 -2,-0.4 2,-0.3 389,-0.3 233,-0.2 -0.977 33.7-165.4-144.4 158.3 -26.0 28.9 -12.9 16 16 A I E -d 248 0B 6 231,-2.3 233,-3.2 -2,-0.3 2,-0.5 -0.994 15.4-137.9-144.9 140.9 -23.2 26.9 -11.2 17 17 A T E -d 249 0B 79 -2,-0.3 2,-0.2 231,-0.2 233,-0.2 -0.910 18.0-133.4-108.4 128.8 -19.9 28.1 -9.6 18 18 A I - 0 0 2 231,-2.5 2,-0.1 -2,-0.5 3,-0.1 -0.558 20.0-144.7 -79.9 142.2 -16.7 26.3 -10.2 19 19 A S - 0 0 24 -2,-0.2 209,-2.5 1,-0.2 213,-0.1 -0.312 38.3 -60.3 -96.8-178.2 -14.4 25.5 -7.2 20 20 A G B -G 227 0C 1 23,-0.5 2,-0.2 207,-0.3 -1,-0.2 -0.242 68.6 -84.4 -66.7 153.9 -10.7 25.4 -6.9 21 21 A A >> - 0 0 0 205,-3.2 4,-2.4 1,-0.2 3,-1.0 -0.360 25.0-152.5 -67.1 123.9 -8.7 22.9 -9.0 22 22 A K H 3> S+ 0 0 18 1,-0.2 4,-2.1 372,-0.2 5,-0.2 0.935 98.5 54.0 -52.8 -43.9 -8.3 19.4 -7.7 23 23 A N H 34 S+ 0 0 33 1,-0.2 -1,-0.2 2,-0.2 -2,-0.1 0.576 111.5 42.9 -82.8 -5.3 -5.1 19.1 -9.6 24 24 A S H X> S+ 0 0 0 -3,-1.0 4,-2.5 202,-0.2 3,-2.0 0.839 113.0 49.6 -88.2 -55.3 -3.6 22.2 -8.1 25 25 A V H 3X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.3 -2,-0.2 0.815 102.1 61.5 -58.7 -32.4 -4.6 21.6 -4.5 26 26 A V H 3< S+ 0 0 6 -4,-2.1 -1,-0.3 -5,-0.3 68,-0.2 0.685 114.7 36.1 -72.2 -14.1 -3.4 18.0 -4.4 27 27 A A H <> S+ 0 0 0 -3,-2.0 4,-1.8 -5,-0.2 -2,-0.2 0.728 112.4 59.0 -98.5 -36.0 0.1 19.4 -5.0 28 28 A L H X S+ 0 0 0 -4,-2.5 4,-1.3 2,-0.2 -2,-0.2 0.909 102.3 54.5 -58.5 -43.8 -0.3 22.6 -3.0 29 29 A I H >< S+ 0 0 0 -4,-2.3 3,-0.9 1,-0.2 4,-0.4 0.966 111.8 39.5 -63.7 -54.6 -1.0 20.7 0.2 30 30 A P H >4 S+ 0 0 0 0, 0.0 3,-1.5 0, 0.0 -1,-0.2 0.852 109.3 62.6 -66.4 -27.1 2.1 18.5 0.3 31 31 A A H >< S+ 0 0 0 -4,-1.8 3,-2.1 1,-0.3 -2,-0.2 0.814 88.4 72.4 -62.6 -28.9 4.3 21.3 -0.9 32 32 A I G X< S+ 0 0 0 -4,-1.3 3,-1.9 -3,-0.9 -1,-0.3 0.697 74.5 80.8 -62.1 -19.1 3.4 23.2 2.2 33 33 A I G < S+ 0 0 0 -3,-1.5 -1,-0.3 -4,-0.4 -2,-0.2 0.787 85.0 63.5 -52.7 -26.4 5.6 20.8 4.2 34 34 A L G < S+ 0 0 2 -3,-2.1 184,-0.5 -4,-0.2 -1,-0.3 0.703 85.0 100.8 -73.7 -19.2 8.5 23.1 2.9 35 35 A A B < -h 218 0D 2 -3,-1.9 184,-0.2 -4,-0.2 185,-0.1 -0.354 62.3-149.9 -80.0 148.8 7.2 26.1 4.8 36 36 A D S S+ 0 0 86 182,-2.2 2,-0.3 -2,-0.1 183,-0.2 0.442 83.2 21.3 -86.7 -6.1 8.5 27.6 8.1 37 37 A D S S- 0 0 72 181,-0.1 -2,-0.1 182,-0.1 184,-0.1 -0.882 103.6 -48.7-153.5 177.7 5.1 28.9 9.0 38 38 A V - 0 0 43 -2,-0.3 183,-0.6 36,-0.2 2,-0.4 -0.268 43.8-162.8 -59.9 137.2 1.4 28.6 8.4 39 39 A V E -Ij 73 221E 0 34,-2.9 34,-3.0 181,-0.2 2,-0.4 -0.995 5.0-158.3-119.9 132.0 0.1 28.5 4.8 40 40 A T E -Ij 72 222E 14 181,-2.2 183,-2.8 -2,-0.4 2,-0.4 -0.919 1.7-160.3-113.8 134.6 -3.5 29.2 4.1 41 41 A L E -Ij 71 223E 0 30,-2.7 30,-2.0 -2,-0.4 2,-0.3 -0.918 4.8-161.8-112.6 137.4 -5.3 28.1 1.0 42 42 A D E S+ j 0 224E 29 181,-2.6 183,-2.7 -2,-0.4 28,-0.2 -0.850 71.3 31.9-115.9 157.7 -8.6 29.6 -0.3 43 43 A C S S+ 0 0 29 26,-0.3 -23,-0.5 -2,-0.3 -1,-0.2 0.866 76.3 172.2 62.1 36.8 -11.1 28.2 -2.7 44 44 A V - 0 0 9 25,-2.9 -1,-0.2 -3,-0.3 2,-0.1 -0.680 31.7-124.5 -76.0 125.2 -10.2 24.7 -1.5 45 45 A P - 0 0 3 0, 0.0 2,-1.9 0, 0.0 5,-0.1 -0.441 12.2-123.2 -73.6 144.0 -12.7 22.2 -3.1 46 46 A D + 0 0 100 -2,-0.1 351,-0.6 4,-0.1 2,-0.3 -0.544 63.0 137.5 -87.1 76.1 -14.7 20.0 -0.9 47 47 A I >> - 0 0 4 -2,-1.9 4,-1.5 349,-0.1 3,-0.8 -0.838 65.9-115.1-122.0 156.7 -13.4 16.7 -2.5 48 48 A S H 3> S+ 0 0 43 344,-2.4 4,-2.3 -2,-0.3 5,-0.2 0.828 111.7 62.2 -65.2 -30.3 -12.3 13.4 -0.9 49 49 A D H 3> S+ 0 0 3 344,-0.9 4,-1.8 343,-0.2 -1,-0.2 0.861 103.9 49.9 -62.6 -35.4 -8.7 13.8 -2.2 50 50 A V H <> S+ 0 0 0 -3,-0.8 4,-2.7 343,-0.2 -1,-0.2 0.930 109.4 50.4 -67.2 -44.6 -8.4 16.9 -0.1 51 51 A A H X S+ 0 0 42 -4,-1.5 4,-2.1 1,-0.2 -2,-0.2 0.898 111.2 48.9 -60.6 -41.9 -9.8 15.2 3.1 52 52 A S H X S+ 0 0 38 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.887 111.2 49.8 -64.9 -39.4 -7.3 12.3 2.6 53 53 A L H X S+ 0 0 4 -4,-1.8 4,-2.6 -5,-0.2 -2,-0.2 0.903 108.8 52.4 -67.8 -40.3 -4.4 14.7 2.2 54 54 A V H X S+ 0 0 15 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.908 108.3 51.7 -58.0 -44.5 -5.4 16.6 5.3 55 55 A E H X S+ 0 0 127 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.924 110.6 47.6 -58.5 -46.8 -5.5 13.3 7.3 56 56 A I H X S+ 0 0 9 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.920 110.1 52.2 -60.8 -46.0 -2.0 12.4 6.1 57 57 A M H <>S+ 0 0 0 -4,-2.6 5,-2.7 1,-0.2 4,-0.3 0.915 110.8 48.0 -58.0 -42.5 -0.6 15.9 6.9 58 58 A E H ><5S+ 0 0 93 -4,-2.2 3,-1.7 1,-0.2 -1,-0.2 0.925 109.3 51.8 -64.5 -45.5 -2.0 15.6 10.4 59 59 A L H 3<5S+ 0 0 119 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.802 107.0 55.3 -60.5 -29.3 -0.6 12.1 10.9 60 60 A M T 3<5S- 0 0 4 -4,-1.8 19,-3.2 -5,-0.2 -1,-0.3 0.536 131.8 -94.1 -83.1 -5.3 2.8 13.6 9.8 61 61 A G T < 5S+ 0 0 28 -3,-1.7 16,-0.2 1,-0.3 -3,-0.2 0.408 81.9 130.9 111.9 -1.9 2.5 16.2 12.5 62 62 A A < - 0 0 7 -5,-2.7 2,-0.4 -6,-0.2 -1,-0.3 -0.381 49.8-136.4 -73.2 160.3 0.9 19.2 10.8 63 63 A T E -K 74 0E 85 11,-1.6 11,-2.6 -2,-0.1 2,-0.4 -0.966 21.5-165.8-114.5 138.7 -2.1 20.9 12.4 64 64 A V E -K 73 0E 26 -2,-0.4 2,-0.4 9,-0.2 9,-0.2 -0.993 11.1-164.1-130.8 131.4 -4.9 21.8 10.0 65 65 A K E -K 72 0E 121 7,-2.5 7,-2.9 -2,-0.4 2,-0.4 -0.950 16.1-171.8-111.7 133.4 -7.8 24.2 10.5 66 66 A R E +K 71 0E 92 -2,-0.4 2,-0.3 5,-0.2 5,-0.2 -0.981 17.8 143.4-133.5 137.4 -10.7 23.9 8.1 67 67 A Y E > -K 70 0E 77 3,-1.6 3,-3.0 -2,-0.4 -2,-0.0 -0.930 65.7 -25.5-165.0 147.0 -13.9 25.9 7.5 68 68 A D T 3 S- 0 0 145 -2,-0.3 -1,-0.0 1,-0.3 0, 0.0 -0.189 127.1 -24.5 45.6-126.0 -15.8 26.9 4.4 69 69 A D T 3 S+ 0 0 66 -3,-0.1 -25,-2.9 -23,-0.0 2,-0.3 0.043 116.9 104.8-100.8 20.4 -13.4 26.9 1.5 70 70 A V E < - K 0 67E 4 -3,-3.0 -3,-1.6 -28,-0.2 2,-0.4 -0.839 44.8-173.1-114.7 142.0 -10.3 27.5 3.6 71 71 A L E -IK 41 66E 0 -30,-2.0 -30,-2.7 -2,-0.3 2,-0.7 -0.989 6.4-166.0-125.5 122.1 -7.5 25.3 4.8 72 72 A E E -IK 40 65E 51 -7,-2.9 -7,-2.5 -2,-0.4 2,-0.5 -0.940 15.0-171.4-104.4 113.4 -5.0 26.7 7.3 73 73 A I E -IK 39 64E 0 -34,-3.0 -34,-2.9 -2,-0.7 -9,-0.2 -0.921 15.0-170.6-113.7 120.6 -2.0 24.4 7.4 74 74 A D E > + K 0 63E 29 -11,-2.6 -11,-1.6 -2,-0.5 3,-0.5 -0.893 6.9 177.2-107.5 101.4 0.8 24.7 10.0 75 75 A P G > + 0 0 0 0, 0.0 3,-2.1 0, 0.0 -1,-0.1 0.414 51.6 103.0 -86.8 2.2 3.6 22.4 8.9 76 76 A R G 3 S+ 0 0 135 1,-0.3 -14,-0.1 -13,-0.1 -39,-0.0 0.852 81.2 48.9 -56.3 -37.4 6.0 23.3 11.7 77 77 A G G < S+ 0 0 38 -3,-0.5 -1,-0.3 -16,-0.2 -15,-0.2 0.431 80.2 132.4 -83.4 2.8 5.3 20.2 13.7 78 78 A V < - 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