==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION REGULATION 19-JUL-93 1ADR . COMPND 2 MOLECULE: P22 C2 REPRESSOR; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE P22; . AUTHOR P.SEVILLASIERRA,G.OTTING,K.WUTHRICH . 76 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4803.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 51 67.1 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 . 0 0.0 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 . 0 0.0 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-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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 8 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 35 46.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 7.9 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 1 0 2 0 1 0 1 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 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 0 231 0, 0.0 3,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 176.6 19.6 4.7 8.5 2 2 A N - 0 0 87 1,-0.1 3,-0.1 2,-0.1 0, 0.0 0.211 360.0-123.2 68.6 161.8 16.8 2.5 7.0 3 3 A T S S- 0 0 106 1,-0.4 -1,-0.1 73,-0.0 71,-0.0 -0.446 74.2 -69.8-128.3 53.0 16.4 1.8 3.3 4 4 A Q - 0 0 14 -3,-0.2 2,-0.4 1,-0.1 -1,-0.4 0.536 54.3-106.9 62.7 146.8 12.9 3.2 3.3 5 5 A L >> - 0 0 66 1,-0.1 4,-2.8 -3,-0.1 3,-0.5 -0.882 14.2-132.9-103.7 131.4 9.9 1.6 5.1 6 6 A M H 3> S+ 0 0 11 -2,-0.4 4,-2.8 1,-0.2 5,-0.2 0.896 108.3 56.7 -39.7 -50.9 7.1 -0.2 3.0 7 7 A G H 3> S+ 0 0 0 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.893 109.2 42.5 -56.5 -45.5 4.6 1.7 5.2 8 8 A E H <> S+ 0 0 46 -3,-0.5 4,-2.6 2,-0.2 5,-0.2 0.897 109.9 57.3 -75.5 -32.9 6.0 5.1 4.4 9 9 A R H X S+ 0 0 15 -4,-2.8 4,-3.2 2,-0.2 5,-0.3 0.942 112.3 43.5 -53.1 -48.4 6.3 4.1 0.7 10 10 A I H X S+ 0 0 0 -4,-2.8 4,-3.2 2,-0.2 5,-0.3 0.973 112.9 50.0 -59.0 -57.9 2.6 3.4 0.9 11 11 A R H X S+ 0 0 103 -4,-2.8 4,-1.1 1,-0.2 -1,-0.2 0.808 118.2 41.8 -50.8 -36.9 1.7 6.6 2.8 12 12 A A H X S+ 0 0 13 -4,-2.6 4,-2.8 2,-0.2 5,-0.2 0.959 115.6 45.7 -75.9 -59.2 3.7 8.5 0.2 13 13 A R H X S+ 0 0 31 -4,-3.2 4,-2.9 -5,-0.2 5,-0.3 0.928 112.6 53.9 -44.4 -54.8 2.5 6.8 -3.0 14 14 A R H X>S+ 0 0 12 -4,-3.2 5,-2.5 -5,-0.3 4,-1.4 0.873 112.4 41.2 -56.7 -45.5 -1.1 7.0 -1.7 15 15 A K H <5S+ 0 0 123 -4,-1.1 -1,-0.2 -5,-0.3 -2,-0.2 0.898 112.8 54.5 -70.8 -39.8 -1.0 10.8 -1.1 16 16 A K H <5S+ 0 0 118 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.912 116.5 38.4 -56.8 -43.3 0.9 11.3 -4.4 17 17 A L H <5S- 0 0 59 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.707 111.1-130.9 -77.2 -24.5 -1.9 9.4 -6.2 18 18 A K T <5 + 0 0 173 -4,-1.4 2,-0.5 -5,-0.3 -3,-0.2 0.820 47.2 160.6 77.0 39.8 -4.4 11.1 -3.8 19 19 A I < - 0 0 27 -5,-2.5 -1,-0.2 -6,-0.1 2,-0.1 -0.776 41.1-123.9 -96.5 126.6 -6.2 7.9 -2.8 20 20 A R > - 0 0 200 -2,-0.5 4,-2.8 1,-0.1 3,-0.3 -0.461 24.8-120.7 -66.8 141.7 -8.4 7.9 0.4 21 21 A Q H > S+ 0 0 66 1,-0.3 4,-2.8 2,-0.2 -1,-0.1 0.869 113.5 49.4 -59.1 -41.4 -7.2 5.1 2.7 22 22 A A H > S+ 0 0 51 2,-0.2 4,-2.6 1,-0.2 -1,-0.3 0.895 111.1 50.4 -61.0 -41.8 -10.6 3.3 2.7 23 23 A A H > S+ 0 0 32 -3,-0.3 4,-3.0 2,-0.2 -2,-0.2 0.944 109.7 50.1 -64.0 -44.8 -10.7 3.5 -1.1 24 24 A L H X S+ 0 0 0 -4,-2.8 4,-3.1 2,-0.2 5,-0.4 0.949 108.5 54.1 -54.6 -49.1 -7.2 2.0 -1.2 25 25 A G H X>S+ 0 0 0 -4,-2.8 4,-2.8 1,-0.2 5,-2.6 0.939 111.5 44.3 -46.4 -55.0 -8.5 -0.7 1.1 26 26 A K H <5S+ 0 0 175 -4,-2.6 -1,-0.2 3,-0.2 -2,-0.2 0.898 113.7 50.4 -58.9 -45.7 -11.3 -1.4 -1.3 27 27 A M H <5S+ 0 0 109 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.937 118.2 37.3 -58.5 -52.1 -9.0 -1.3 -4.4 28 28 A V H <5S- 0 0 18 -4,-3.1 -1,-0.2 -5,-0.2 -2,-0.2 0.868 115.0-116.3 -66.9 -39.2 -6.5 -3.8 -2.8 29 29 A G T <5S+ 0 0 61 -4,-2.8 2,-0.3 -5,-0.4 -3,-0.2 0.802 73.6 114.4 95.1 46.4 -9.3 -5.8 -1.2 30 30 A V S > - 0 0 82 -2,-0.3 3,-1.5 1,-0.1 4,-1.2 -0.538 40.6-114.2 -64.1 139.0 -10.2 -3.6 5.4 32 32 A N H 3> S+ 0 0 76 1,-0.3 4,-2.4 2,-0.2 -1,-0.1 0.814 117.2 61.7 -39.0 -45.1 -9.2 0.1 5.8 33 33 A V H 3> S+ 0 0 94 2,-0.2 4,-2.9 1,-0.2 -1,-0.3 0.897 97.6 55.6 -56.8 -41.9 -7.6 -0.9 9.1 34 34 A A H <> S+ 0 0 21 -3,-1.5 4,-3.0 2,-0.2 -1,-0.2 0.944 107.6 49.2 -57.9 -47.2 -5.2 -3.3 7.4 35 35 A I H X S+ 0 0 0 -4,-1.2 4,-3.1 1,-0.2 5,-0.3 0.943 111.0 51.4 -50.8 -51.7 -4.0 -0.4 5.3 36 36 A S H X S+ 0 0 34 -4,-2.4 4,-3.0 1,-0.2 -2,-0.2 0.924 111.5 45.5 -53.2 -50.5 -3.6 1.6 8.5 37 37 A Q H <>S+ 0 0 69 -4,-2.9 5,-2.8 2,-0.2 4,-0.3 0.903 113.1 51.7 -62.6 -42.7 -1.6 -1.2 10.2 38 38 A W H ><5S+ 0 0 12 -4,-3.0 3,-1.5 3,-0.2 -2,-0.2 0.969 114.7 40.4 -55.3 -57.9 0.5 -1.5 7.0 39 39 A E H 3<5S+ 0 0 10 -4,-3.1 -2,-0.2 1,-0.3 -3,-0.2 0.940 112.7 54.3 -63.7 -42.6 1.4 2.2 6.8 40 40 A R T 3<5S- 0 0 121 -4,-3.0 -1,-0.3 -5,-0.3 -2,-0.2 0.572 115.5-125.4 -64.9 -6.3 1.8 2.4 10.6 41 41 A S T < 5S+ 0 0 56 -3,-1.5 -3,-0.2 -4,-0.3 -2,-0.1 0.840 77.8 117.0 66.2 39.8 4.3 -0.5 9.9 42 42 A E S > - 0 0 109 -2,-0.3 4,-2.8 4,-0.0 3,-0.6 -0.546 39.2 -72.2 -94.9 166.5 2.8 -10.5 1.8 47 47 A G H 3> S+ 0 0 47 1,-0.3 4,-2.9 2,-0.2 5,-0.2 0.626 129.2 37.3 -25.4 -66.5 3.3 -11.5 -1.9 48 48 A E H 3> S+ 0 0 119 1,-0.2 4,-3.0 2,-0.2 -1,-0.3 0.960 123.3 42.6 -58.0 -53.0 -0.3 -11.5 -3.2 49 49 A N H <> S+ 0 0 42 -3,-0.6 4,-3.0 1,-0.2 -2,-0.2 0.843 112.9 54.3 -66.3 -34.5 -1.3 -8.5 -1.1 50 50 A L H X S+ 0 0 22 -4,-2.8 4,-3.0 2,-0.2 -1,-0.2 0.925 110.6 46.1 -63.4 -46.1 1.9 -6.7 -1.9 51 51 A L H X S+ 0 0 95 -4,-2.9 4,-2.9 -5,-0.3 -2,-0.2 0.954 113.4 48.9 -59.4 -49.1 1.2 -7.2 -5.6 52 52 A A H X S+ 0 0 18 -4,-3.0 4,-3.1 1,-0.2 5,-0.2 0.919 112.7 48.9 -58.3 -44.4 -2.4 -6.0 -5.1 53 53 A L H X S+ 0 0 0 -4,-3.0 4,-3.2 2,-0.2 -2,-0.2 0.957 111.1 49.2 -53.1 -57.1 -1.1 -3.0 -3.2 54 54 A S H <>S+ 0 0 1 -4,-3.0 5,-2.0 1,-0.2 -2,-0.2 0.906 113.8 46.4 -54.9 -45.5 1.4 -2.2 -6.0 55 55 A K H ><5S+ 0 0 150 -4,-2.9 3,-2.1 3,-0.2 -1,-0.2 0.963 114.9 45.1 -60.9 -54.7 -1.4 -2.5 -8.6 56 56 A A H 3<5S+ 0 0 10 -4,-3.1 -2,-0.2 1,-0.3 -1,-0.2 0.887 113.9 51.7 -56.7 -38.5 -3.8 -0.3 -6.5 57 57 A L T 3<5S- 0 0 0 -4,-3.2 -1,-0.3 -5,-0.2 -2,-0.2 -0.042 118.0-116.6 -89.7 27.2 -0.9 2.1 -5.9 58 58 A Q T < 5S+ 0 0 124 -3,-2.1 2,-0.3 1,-0.1 -3,-0.2 0.820 78.4 87.0 44.2 56.1 -0.2 2.2 -9.7 59 59 A C S > - 0 0 60 -2,-0.3 3,-1.7 1,-0.1 4,-0.5 -0.660 40.0-112.2 -91.4 153.9 5.4 -2.6 -9.6 61 61 A P H >> S+ 0 0 34 0, 0.0 4,-2.7 0, 0.0 3,-1.9 0.886 116.2 73.4 -54.9 -38.1 6.4 -4.4 -6.4 62 62 A D H 3>>S+ 0 0 85 1,-0.3 4,-3.0 2,-0.2 5,-0.5 0.811 87.8 61.1 -33.5 -48.2 9.9 -3.3 -7.4 63 63 A Y H <>>S+ 0 0 16 -3,-1.7 4,-1.9 1,-0.2 5,-1.3 0.846 112.8 34.7 -53.1 -43.6 8.9 0.2 -6.4 64 64 A L H <<5S+ 0 0 2 -3,-1.9 -2,-0.2 -4,-0.5 -1,-0.2 0.795 115.1 55.0 -92.0 -33.9 8.3 -0.9 -2.8 65 65 A L H <5S+ 0 0 112 -4,-2.7 -2,-0.2 1,-0.1 -3,-0.2 0.960 128.6 19.5 -55.8 -53.7 11.0 -3.5 -2.6 66 66 A K H <5S- 0 0 118 -4,-3.0 -2,-0.2 -5,-0.2 -3,-0.2 0.952 107.7-111.9 -83.3 -52.0 13.6 -0.8 -3.6 67 67 A G T << + 0 0 8 -4,-1.9 -3,-0.2 -5,-0.5 3,-0.2 0.508 37.6 177.1 100.3 90.0 11.9 2.6 -2.9 68 68 A D < + 0 0 65 -5,-1.3 8,-0.1 1,-0.1 -5,-0.1 -0.413 42.1 119.9-115.4 50.5 11.1 4.3 -6.2 69 69 A L S S- 0 0 4 7,-1.5 2,-0.2 6,-0.2 -1,-0.1 0.742 85.4 -19.7 -96.8 -26.5 9.4 7.3 -4.5 70 70 A S - 0 0 69 6,-2.7 3,-0.1 -3,-0.2 -3,-0.0 -0.591 68.1-106.9-147.6-143.6 11.8 10.0 -5.8 71 71 A Q S S+ 0 0 188 -2,-0.2 2,-0.3 -3,-0.1 3,-0.1 -0.194 89.5 39.4-155.7 46.1 15.4 10.1 -7.2 72 72 A T S > S+ 0 0 84 1,-0.2 4,-3.0 4,-0.1 -2,-0.1 -0.900 78.9 64.0-172.2 179.7 17.6 11.6 -4.5 73 73 A N T >4 S- 0 0 124 -2,-0.3 3,-0.6 2,-0.2 -1,-0.2 0.951 133.7 -22.5 51.4 84.5 17.8 11.4 -0.7 74 74 A V T 34 S- 0 0 99 1,-0.2 -1,-0.2 2,-0.1 0, 0.0 0.810 115.6 -73.3 50.3 36.5 18.8 7.7 0.0 75 75 A A T 34 0 0 69 1,-0.2 -2,-0.2 -7,-0.1 -1,-0.2 0.944 360.0 360.0 40.8 61.0 17.2 7.1 -3.4 76 76 A Y << 0 0 80 -4,-3.0 -6,-2.7 -3,-0.6 -7,-1.5 -0.089 360.0 360.0 -47.6 360.0 13.9 7.7 -1.7