==== 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 TRANSFERASE 07-JUL-10 3NUT . COMPND 2 MOLECULE: PRECORRIN-3 METHYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: RHODOBACTER CAPSULATUS; . AUTHOR R.W.PICKERSGILL,T.HUTCHISON,T.T.TO . 965 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36754.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 679 70.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 123 12.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 102 10.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 6 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 76 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 120 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 223 23.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 0.8 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 2 0 0 0 0 8 1 6 4 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 4 3 7 6 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 PARALLEL BRIDGES PER LADDER . 5 0 10 0 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 4 0 2 0 0 0 0 3 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 S 0 0 157 0, 0.0 68,-0.1 0, 0.0 67,-0.1 0.000 360.0 360.0 360.0 107.2 55.3 69.1 26.5 2 3 A G - 0 0 8 66,-1.1 103,-0.5 65,-0.1 2,-0.3 -0.162 360.0-161.6-100.0-174.1 53.9 65.8 25.1 3 4 A W E -a 73 0A 13 69,-1.6 71,-2.8 101,-0.1 2,-0.4 -0.964 18.8-122.8-156.9 178.0 54.5 63.2 22.4 4 5 A V E -ab 74 106A 0 101,-2.0 103,-2.1 -2,-0.3 2,-0.5 -0.992 23.1-172.7-130.0 123.5 53.1 60.4 20.3 5 6 A T E -ab 75 107A 2 69,-3.5 71,-4.1 -2,-0.4 2,-0.6 -0.957 12.6-154.5-112.8 133.6 54.7 57.0 20.4 6 7 A V E -ab 76 108A 0 101,-2.6 103,-2.9 -2,-0.5 2,-0.4 -0.956 25.2-169.9-103.5 120.7 53.5 54.3 18.0 7 8 A A E -ab 77 109A 0 69,-2.9 71,-2.3 -2,-0.6 2,-0.4 -0.947 19.5-137.9-123.7 128.9 54.4 51.1 19.7 8 9 A G E -a 78 0A 1 101,-2.2 10,-0.4 -2,-0.4 71,-0.2 -0.641 7.6-166.5 -84.0 130.9 54.4 47.4 18.5 9 10 A L - 0 0 20 69,-2.9 3,-0.5 -2,-0.4 7,-0.2 0.357 37.8-124.7 -94.9 6.8 53.0 44.8 20.9 10 11 A G B -J 80 0B 3 70,-1.9 70,-2.3 68,-0.3 -1,-0.3 -0.144 48.1 -51.6 69.6-175.0 54.3 41.8 19.0 11 12 A P S S- 0 0 4 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 0.478 96.7 -72.0 -82.8 1.8 52.1 38.9 17.9 12 13 A G S S+ 0 0 50 -3,-0.5 185,-0.1 1,-0.5 186,-0.1 -0.261 96.0 106.5 148.1 -59.0 50.4 38.2 21.2 13 14 A R > - 0 0 87 183,-0.2 3,-1.5 1,-0.2 -1,-0.5 -0.317 62.2-138.9 -59.9 133.6 52.6 36.6 23.9 14 15 A E G > S+ 0 0 130 1,-0.3 3,-2.0 2,-0.2 -1,-0.2 0.844 98.5 68.2 -62.5 -33.3 53.5 39.1 26.6 15 16 A D G 3 S+ 0 0 58 1,-0.3 730,-2.6 729,-0.1 -1,-0.3 0.369 93.3 60.3 -74.9 12.3 57.1 37.8 26.7 16 17 A L G < S+ 0 0 1 -3,-1.5 96,-0.5 -7,-0.2 2,-0.4 0.386 75.3 107.2-113.6 1.0 57.7 39.2 23.2 17 18 A V S < S- 0 0 16 -3,-2.0 -8,-0.1 -4,-0.1 728,-0.1 -0.654 76.8-117.7 -76.9 131.9 57.0 42.9 24.0 18 19 A T > - 0 0 1 -10,-0.4 4,-2.7 -2,-0.4 3,-0.2 -0.362 13.2-122.4 -69.3 149.1 60.3 44.7 24.0 19 20 A P H > S+ 0 0 53 0, 0.0 4,-2.2 0, 0.0 722,-0.2 0.849 115.3 59.3 -56.9 -34.7 61.4 46.3 27.3 20 21 A E H > S+ 0 0 34 720,-2.2 4,-1.9 2,-0.2 5,-0.1 0.909 109.5 42.8 -56.4 -44.2 61.5 49.7 25.4 21 22 A V H > S+ 0 0 0 719,-0.3 4,-2.3 2,-0.2 5,-0.2 0.930 110.8 53.5 -72.4 -45.1 57.8 49.2 24.6 22 23 A T H X S+ 0 0 82 -4,-2.7 4,-1.4 1,-0.2 -1,-0.2 0.898 110.6 50.1 -53.1 -38.6 56.9 48.1 28.1 23 24 A A H X S+ 0 0 54 -4,-2.2 4,-0.8 2,-0.2 -2,-0.2 0.877 108.3 50.1 -70.3 -39.8 58.7 51.3 29.3 24 25 A A H >X S+ 0 0 11 -4,-1.9 4,-1.4 2,-0.2 3,-0.6 0.906 109.2 52.6 -60.2 -43.5 56.7 53.7 26.9 25 26 A L H 3< S+ 0 0 24 -4,-2.3 3,-0.2 1,-0.3 -2,-0.2 0.862 106.9 52.6 -62.4 -36.1 53.5 52.0 28.1 26 27 A A H 3< S+ 0 0 69 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.709 112.6 46.8 -71.6 -19.6 54.5 52.8 31.7 27 28 A E H << S+ 0 0 95 -4,-0.8 -2,-0.2 -3,-0.6 -1,-0.2 0.622 87.0 114.2 -93.4 -19.2 55.1 56.4 30.7 28 29 A A < - 0 0 4 -4,-1.4 46,-0.2 -3,-0.2 3,-0.1 -0.288 40.3-175.6 -55.2 132.9 51.8 57.0 28.7 29 30 A T S S+ 0 0 29 44,-2.2 19,-2.3 1,-0.3 2,-0.4 0.653 85.3 32.7 -86.1 -28.0 49.2 59.5 30.0 30 31 A D E -cd 48 74A 1 43,-2.1 45,-2.9 17,-0.2 2,-0.5 -0.988 65.2-165.4-134.4 128.4 47.1 58.2 27.1 31 32 A I E -cd 49 75A 2 17,-2.5 19,-3.0 -2,-0.4 2,-0.5 -0.960 8.3-169.9-109.6 127.7 46.8 54.9 25.3 32 33 A V E +cd 50 76A 2 43,-2.5 45,-2.6 -2,-0.5 2,-0.3 -0.974 42.9 60.8-114.9 123.7 45.0 54.8 21.9 33 34 A G E S-c 51 0A 1 17,-1.8 19,-2.0 -2,-0.5 2,-1.0 -0.986 88.8 -20.1 157.7-162.2 44.2 51.3 20.4 34 35 A Y > - 0 0 67 -2,-0.3 3,-2.4 43,-0.3 4,-0.4 -0.659 54.2-148.1 -87.7 104.1 42.4 48.0 20.6 35 36 A I G >> S+ 0 0 4 -2,-1.0 3,-1.9 17,-0.4 4,-1.0 0.748 90.7 64.5 -49.3 -41.5 41.5 47.7 24.3 36 37 A P G >4 S+ 0 0 34 0, 0.0 3,-0.5 0, 0.0 -1,-0.3 0.881 98.5 61.1 -54.7 -28.0 41.8 43.8 24.6 37 38 A Y G <4 S+ 0 0 82 -3,-2.4 -2,-0.2 1,-0.2 3,-0.1 0.788 120.0 23.1 -60.1 -29.7 45.5 44.4 23.7 38 39 A V G X4 S+ 0 0 11 -3,-1.9 3,-2.3 -4,-0.4 -1,-0.2 0.156 80.0 126.3-129.8 18.8 46.0 46.5 26.8 39 40 A A T << S+ 0 0 17 -4,-1.0 236,-0.2 -3,-0.5 238,-0.1 0.759 78.6 49.1 -47.9 -33.2 43.1 45.3 29.1 40 41 A R T 3 S+ 0 0 181 -4,-0.2 -1,-0.3 235,-0.1 -2,-0.1 0.183 75.1 143.8-100.5 16.4 45.6 44.6 32.0 41 42 A I < - 0 0 30 -3,-2.3 234,-0.1 1,-0.1 -3,-0.1 -0.270 64.4-100.5 -47.2 134.8 47.5 47.9 31.9 42 43 A A - 0 0 63 1,-0.1 -1,-0.1 249,-0.0 2,-0.1 -0.491 40.9-124.3 -65.3 124.6 48.5 48.8 35.4 43 44 A P + 0 0 57 0, 0.0 2,-0.3 0, 0.0 249,-0.1 -0.376 41.7 156.9 -68.7 149.0 46.0 51.5 36.7 44 45 A R > - 0 0 83 247,-0.3 3,-2.1 3,-0.2 0, 0.0 -0.964 48.7 -70.1-168.1 158.9 47.3 54.8 38.0 45 46 A E T 3 S+ 0 0 203 -2,-0.3 0, 0.0 1,-0.3 0, 0.0 -0.249 117.3 12.5 -53.0 122.4 46.4 58.4 38.6 46 47 A G T 3 S+ 0 0 61 1,-0.2 2,-0.4 -16,-0.0 -1,-0.3 0.221 88.5 133.7 97.7 -12.5 46.1 60.2 35.2 47 48 A L < + 0 0 8 -3,-2.1 2,-0.4 244,-0.1 -1,-0.2 -0.583 28.4 178.8 -79.2 129.4 46.0 57.2 32.8 48 49 A T E -c 30 0A 13 -19,-2.3 -17,-2.5 -2,-0.4 2,-0.4 -0.977 14.9-151.4-134.6 143.1 43.3 57.3 30.2 49 50 A L E -cE 31 289A 0 240,-2.6 240,-2.6 -2,-0.4 -17,-0.2 -0.905 1.2-157.6-117.2 141.0 42.5 54.8 27.4 50 51 A H E -c 32 0A 15 -19,-3.0 -17,-1.8 -2,-0.4 238,-0.1 -0.915 20.6-139.7-123.5 102.0 40.9 55.6 24.0 51 52 A P E +c 33 0A 11 0, 0.0 2,-0.3 0, 0.0 -17,-0.2 -0.341 26.6 170.9 -71.0 130.8 39.2 52.6 22.4 52 53 A T - 0 0 17 -19,-2.0 -17,-0.4 -2,-0.1 2,-0.1 -0.892 34.9-108.1-126.2 164.6 39.5 52.0 18.7 53 54 A D - 0 0 54 -2,-0.3 2,-1.7 -19,-0.1 -19,-0.1 -0.280 49.8 -87.0 -80.4 178.7 38.5 49.1 16.6 54 55 A N S S+ 0 0 92 -21,-0.1 2,-0.3 -2,-0.1 -1,-0.1 -0.250 93.3 98.9 -88.6 58.6 41.3 46.9 15.2 55 56 A R S S- 0 0 143 -2,-1.7 2,-0.6 2,-0.0 -2,-0.1 -0.927 76.5-104.9-142.6 154.9 41.8 49.0 12.0 56 57 A V + 0 0 72 -2,-0.3 2,-0.3 29,-0.1 -2,-0.1 -0.764 46.5 163.5 -86.0 117.2 44.1 51.6 10.6 57 58 A E > - 0 0 84 -2,-0.6 4,-0.7 1,-0.1 3,-0.4 -0.996 38.7-142.7-134.4 141.9 42.4 55.1 10.5 58 59 A L H > S+ 0 0 58 -2,-0.3 4,-2.2 1,-0.2 3,-0.2 0.815 93.5 67.6 -66.4 -31.7 43.9 58.6 10.1 59 60 A D H > S+ 0 0 118 1,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.768 98.2 49.1 -68.7 -34.6 41.4 60.3 12.5 60 61 A R H > S+ 0 0 30 -3,-0.4 4,-2.5 2,-0.2 -1,-0.3 0.838 110.5 52.7 -68.5 -34.4 42.7 58.7 15.6 61 62 A A H X S+ 0 0 0 -4,-0.7 4,-2.2 -3,-0.2 -2,-0.2 0.923 109.2 48.3 -68.6 -43.1 46.3 59.6 14.6 62 63 A T H X S+ 0 0 11 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.895 112.6 49.7 -57.9 -42.2 45.2 63.3 14.2 63 64 A H H X S+ 0 0 68 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.906 107.3 53.5 -67.1 -40.3 43.6 63.0 17.6 64 65 A A H X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.907 109.4 49.3 -56.0 -44.8 46.8 61.6 19.0 65 66 A L H X S+ 0 0 0 -4,-2.2 4,-1.1 1,-0.2 -2,-0.2 0.868 108.9 53.3 -62.6 -36.7 48.7 64.6 17.6 66 67 A E H X S+ 0 0 91 -4,-2.0 4,-0.5 1,-0.2 -1,-0.2 0.844 108.9 47.9 -69.5 -36.8 46.1 67.0 19.1 67 68 A M H ><>S+ 0 0 0 -4,-2.0 5,-2.1 1,-0.2 3,-1.2 0.881 105.7 58.0 -70.6 -39.2 46.5 65.5 22.6 68 69 A A H ><5S+ 0 0 6 -4,-1.9 3,-1.2 1,-0.3 -66,-1.1 0.822 102.0 57.4 -61.2 -28.4 50.3 65.6 22.3 69 70 A A H 3<5S+ 0 0 73 -4,-1.1 -1,-0.3 1,-0.3 -2,-0.2 0.720 99.7 56.5 -76.3 -22.1 49.9 69.3 21.8 70 71 A E T <<5S- 0 0 133 -3,-1.2 -1,-0.3 -4,-0.5 -2,-0.2 0.345 131.1 -98.0 -83.0 5.0 48.0 69.6 25.1 71 72 A G T < 5S+ 0 0 26 -3,-1.2 -3,-0.2 1,-0.3 -2,-0.1 0.424 76.0 147.8 92.4 2.7 51.1 68.1 26.6 72 73 A R < - 0 0 69 -5,-2.1 -69,-1.6 -70,-0.2 2,-0.8 -0.329 48.9-132.5 -71.9 148.3 49.8 64.5 26.8 73 74 A R E -a 3 0A 97 -71,-0.3 -44,-2.2 -46,-0.1 -43,-2.1 -0.869 33.2-167.9-104.4 100.7 52.1 61.5 26.4 74 75 A V E -ad 4 30A 0 -71,-2.8 -69,-3.5 -2,-0.8 2,-0.6 -0.786 15.6-168.5-104.6 120.7 50.3 59.4 23.8 75 76 A V E -ad 5 31A 0 -45,-2.9 -43,-2.5 -2,-0.5 2,-0.5 -0.948 7.1-162.3-103.9 121.8 51.1 55.8 23.0 76 77 A V E -ad 6 32A 2 -71,-4.1 -69,-2.9 -2,-0.6 2,-0.4 -0.900 18.6-145.6-101.4 127.4 49.3 54.5 19.9 77 78 A V E +a 7 0A 5 -45,-2.6 2,-0.3 -2,-0.5 -43,-0.3 -0.764 22.2 175.2-104.8 141.8 49.4 50.7 19.9 78 79 A S E -a 8 0A 12 -71,-2.3 -69,-2.9 -2,-0.4 -68,-0.3 -0.990 33.4-113.9-129.5 149.0 49.7 48.2 17.0 79 80 A S S S- 0 0 15 -2,-0.3 32,-0.1 -71,-0.2 2,-0.0 -0.345 88.2 -1.7 -67.6 160.5 50.0 44.4 17.1 80 81 A G B S-J 10 0B 0 -70,-2.3 -70,-1.9 -72,-0.1 32,-0.2 -0.314 129.8 -15.1 64.3-134.3 53.4 43.2 15.7 81 82 A D > - 0 0 1 885,-2.4 3,-1.2 30,-0.2 -2,-0.1 -0.850 61.5-136.5-101.7 141.8 55.6 45.9 14.5 82 83 A P T 3 S+ 0 0 0 0, 0.0 6,-2.2 0, 0.0 7,-0.5 0.609 101.6 59.2 -78.0 -8.8 54.0 49.4 13.9 83 84 A G T 3 S+ 0 0 4 5,-0.2 2,-0.7 4,-0.1 -3,-0.1 0.264 88.5 85.6 -96.0 8.8 55.8 49.9 10.6 84 85 A V S < S- 0 0 0 -3,-1.2 768,-0.1 882,-0.2 -3,-0.1 -0.861 123.2 -45.8-118.9 96.1 54.2 46.8 9.1 85 86 A F S S+ 0 0 24 -2,-0.7 2,-0.2 767,-0.4 -1,-0.1 0.933 119.2 97.1 45.4 57.2 50.7 47.4 7.6 86 87 A A S > S- 0 0 9 -4,-0.3 4,-0.8 766,-0.1 3,-0.4 -0.656 88.0 -53.7-156.2-159.4 49.9 49.4 10.8 87 88 A M H > S+ 0 0 3 1,-0.2 4,-2.1 -2,-0.2 5,-0.2 0.634 106.4 73.7 -81.1 -18.5 49.7 52.7 12.6 88 89 A A H > S+ 0 0 0 -6,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.946 100.7 47.7 -60.6 -48.1 53.2 54.3 12.0 89 90 A S H > S+ 0 0 10 -7,-0.5 4,-2.4 -3,-0.4 -1,-0.2 0.899 111.3 50.1 -50.7 -52.9 52.3 55.0 8.3 90 91 A A H X S+ 0 0 1 -4,-0.8 4,-2.8 2,-0.2 -1,-0.2 0.810 106.3 55.9 -60.4 -36.6 48.9 56.5 9.2 91 92 A L H X S+ 0 0 1 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.919 109.6 45.6 -63.0 -42.3 50.5 58.8 11.8 92 93 A F H X S+ 0 0 0 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.849 112.1 52.8 -73.3 -32.1 52.9 60.2 9.2 93 94 A E H X S+ 0 0 52 -4,-2.4 4,-1.7 2,-0.2 -2,-0.2 0.918 110.0 46.8 -61.1 -46.5 49.9 60.5 6.8 94 95 A A H X S+ 0 0 0 -4,-2.8 4,-0.6 2,-0.2 -2,-0.2 0.890 112.9 51.5 -63.6 -37.9 47.9 62.4 9.5 95 96 A L H >< S+ 0 0 10 -4,-2.4 3,-1.1 2,-0.2 6,-0.3 0.935 108.0 49.6 -61.2 -49.5 51.0 64.6 10.1 96 97 A E H 3< S+ 0 0 80 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.867 112.1 50.4 -57.6 -34.5 51.5 65.4 6.4 97 98 A A H 3< S+ 0 0 57 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.603 112.3 49.1 -81.9 -10.0 47.8 66.4 6.2 98 99 A H X< + 0 0 49 -3,-1.1 3,-2.0 -4,-0.6 -1,-0.2 -0.664 57.8 175.6-131.4 79.9 48.0 68.7 9.3 99 100 A P G > S+ 0 0 98 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 0.705 74.0 78.2 -57.9 -15.1 51.0 71.1 9.0 100 101 A E G 3 S+ 0 0 131 1,-0.3 -5,-0.1 -3,-0.1 -3,-0.0 0.614 94.9 48.4 -67.4 -9.7 49.7 72.7 12.3 101 102 A H G X S+ 0 0 24 -3,-2.0 3,-2.4 -6,-0.3 -1,-0.3 0.166 78.0 134.1-115.4 5.6 51.3 69.7 14.2 102 103 A A T < + 0 0 74 -3,-1.6 3,-0.1 1,-0.3 856,-0.0 -0.419 69.9 34.3 -52.2 134.3 54.6 69.9 12.4 103 104 A G T 3 S+ 0 0 81 1,-0.3 -1,-0.3 -2,-0.1 3,-0.1 0.162 80.2 145.1 96.3 -18.4 57.3 69.6 15.1 104 105 A T < - 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