==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER UNKNOWN FUNCTION 06-MAR-07 2P1X . COMPND 2 MOLECULE: PROTEIN CYAY; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR F.SICA,M.FRANZESE . 106 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6156.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 68 64.2 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 . 30 28.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 1.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 2.8 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 . 2 1.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 6 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 31 29.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.9 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 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 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 . 1 0 0 2 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 0 0 0 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 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 0 133 0, 0.0 4,-1.3 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0-110.0 2.7 23.8 47.1 2 2 A N H > + 0 0 95 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.857 360.0 63.4 -83.5 -29.1 5.5 22.3 45.0 3 3 A D H > S+ 0 0 82 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.895 108.2 40.6 -64.1 -46.0 3.4 20.9 42.0 4 4 A S H > S+ 0 0 73 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.921 115.2 52.0 -66.5 -42.2 2.3 24.4 40.8 5 5 A E H X S+ 0 0 83 -4,-1.3 4,-2.6 1,-0.2 5,-0.3 0.905 110.1 50.3 -58.9 -42.5 5.7 25.9 41.5 6 6 A F H X S+ 0 0 1 -4,-2.4 4,-2.9 1,-0.2 5,-0.3 0.936 110.4 48.6 -64.3 -44.6 7.3 23.1 39.5 7 7 A H H X S+ 0 0 79 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.927 112.1 49.4 -62.5 -41.8 5.0 23.6 36.6 8 8 A R H X S+ 0 0 159 -4,-2.7 4,-1.9 2,-0.2 -2,-0.2 0.962 116.2 40.9 -57.4 -49.9 5.6 27.4 36.5 9 9 A L H X S+ 0 0 18 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.909 116.2 48.7 -74.3 -40.1 9.4 27.0 36.6 10 10 A A H X S+ 0 0 0 -4,-2.9 4,-2.7 -5,-0.3 -1,-0.2 0.905 108.8 53.1 -66.1 -41.7 9.6 24.1 34.2 11 11 A D H X S+ 0 0 94 -4,-2.4 4,-2.1 -5,-0.3 -1,-0.2 0.910 110.7 48.3 -58.8 -40.0 7.3 25.9 31.7 12 12 A Q H X S+ 0 0 111 -4,-1.9 4,-2.7 -5,-0.2 -2,-0.2 0.902 110.2 51.5 -63.5 -41.5 9.7 28.9 31.8 13 13 A L H X S+ 0 0 7 -4,-2.2 4,-2.5 2,-0.2 5,-0.3 0.941 108.9 51.1 -60.9 -47.3 12.7 26.7 31.4 14 14 A W H X S+ 0 0 8 -4,-2.7 4,-2.8 1,-0.2 5,-0.2 0.947 110.9 47.9 -56.1 -45.6 11.1 25.1 28.3 15 15 A L H X S+ 0 0 86 -4,-2.1 4,-3.3 -5,-0.2 5,-0.3 0.949 109.6 52.0 -65.7 -45.1 10.4 28.4 26.7 16 16 A T H X S+ 0 0 27 -4,-2.7 4,-2.0 2,-0.2 5,-0.2 0.938 114.1 44.1 -55.5 -45.2 13.9 29.8 27.3 17 17 A I H X S+ 0 0 0 -4,-2.5 4,-2.2 -5,-0.2 5,-0.3 0.966 116.5 46.0 -61.7 -51.1 15.4 26.7 25.7 18 18 A E H X S+ 0 0 55 -4,-2.8 4,-2.1 -5,-0.3 -2,-0.2 0.916 112.3 49.6 -60.0 -46.2 13.0 26.7 22.7 19 19 A E H X S+ 0 0 89 -4,-3.3 4,-1.8 -5,-0.2 -1,-0.2 0.922 110.9 49.3 -63.1 -43.5 13.3 30.4 22.0 20 20 A R H < S+ 0 0 116 -4,-2.0 3,-0.2 -5,-0.3 -1,-0.2 0.939 113.9 44.1 -62.1 -44.1 17.0 30.4 22.0 21 21 A L H >< S+ 0 0 15 -4,-2.2 3,-1.0 1,-0.2 -1,-0.2 0.842 107.8 61.5 -73.1 -24.3 17.3 27.5 19.7 22 22 A D H 3< S+ 0 0 101 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.924 111.0 38.8 -57.1 -45.8 14.6 29.0 17.6 23 23 A D T 3< S+ 0 0 107 -4,-1.8 -1,-0.2 -3,-0.2 -2,-0.2 0.217 81.6 147.8 -91.0 10.1 16.9 32.0 17.0 24 24 A W < + 0 0 54 -3,-1.0 6,-0.1 -4,-0.2 -3,-0.1 -0.411 18.2 175.5 -57.9 125.8 20.1 30.1 16.7 25 25 A D + 0 0 142 -2,-0.1 -1,-0.2 0, 0.0 -4,-0.0 0.462 36.7 105.6-104.6 -27.4 22.2 32.0 14.2 26 26 A G S S- 0 0 28 1,-0.1 4,-0.1 75,-0.0 77,-0.0 0.193 81.1 -97.7 -67.6-175.1 25.5 30.1 14.1 27 27 A D S S+ 0 0 156 2,-0.1 -1,-0.1 0, 0.0 2,-0.1 0.882 94.8 83.6 -69.5 -38.2 27.0 27.9 11.5 28 28 A S S S- 0 0 19 1,-0.1 2,-0.6 15,-0.0 71,-0.1 -0.436 82.0-121.3 -71.9 145.3 26.0 24.6 13.0 29 29 A D + 0 0 83 -2,-0.1 15,-0.4 70,-0.1 2,-0.4 -0.802 37.4 175.1 -82.7 117.4 22.6 23.1 12.3 30 30 A I - 0 0 12 -2,-0.6 2,-0.4 -9,-0.2 13,-0.2 -0.988 7.7-169.0-120.0 127.8 20.9 22.6 15.8 31 31 A D E -A 42 0A 77 11,-2.5 11,-2.3 -2,-0.4 2,-0.4 -0.944 5.6-162.8-117.4 148.3 17.3 21.5 15.8 32 32 A C E +A 41 0A 26 -2,-0.4 2,-0.3 9,-0.2 9,-0.2 -0.997 11.0 178.6-127.6 128.6 14.9 21.4 18.8 33 33 A E E -A 40 0A 108 7,-2.3 7,-2.4 -2,-0.4 2,-0.5 -0.908 20.5-144.9-123.6 154.6 11.6 19.4 18.9 34 34 A I E +A 39 0A 82 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.984 24.5 169.9-118.6 122.2 9.0 18.9 21.6 35 35 A N E > S-A 38 0A 99 3,-2.6 3,-2.0 -2,-0.5 -2,-0.0 -0.973 72.9 -14.1-135.3 114.6 7.4 15.4 21.6 36 36 A G T 3 S- 0 0 90 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.847 127.9 -57.6 62.3 29.5 5.1 14.2 24.4 37 37 A G T 3 S+ 0 0 41 1,-0.3 2,-0.4 15,-0.1 -1,-0.3 0.375 113.9 120.5 78.6 -2.1 6.4 17.2 26.4 38 38 A V E < -A 35 0A 44 -3,-2.0 -3,-2.6 14,-0.1 2,-0.5 -0.774 57.9-138.1 -93.4 135.0 10.0 16.1 26.1 39 39 A L E -AB 34 51A 0 12,-2.8 12,-2.9 -2,-0.4 2,-0.5 -0.820 17.4-171.7 -93.0 133.3 12.6 18.3 24.4 40 40 A T E -AB 33 50A 29 -7,-2.4 -7,-2.3 -2,-0.5 2,-0.5 -0.983 4.5-165.1-122.5 117.2 15.1 16.7 22.0 41 41 A I E -AB 32 49A 2 8,-3.1 8,-2.4 -2,-0.5 2,-0.4 -0.901 11.2-160.2 -97.2 126.6 17.9 18.8 20.7 42 42 A T E -AB 31 48A 43 -11,-2.3 -11,-2.5 -2,-0.5 6,-0.2 -0.936 1.2-156.5-115.8 134.6 19.7 17.2 17.6 43 43 A F > - 0 0 6 4,-2.6 3,-2.1 -2,-0.4 -13,-0.1 -0.594 32.3-105.7-105.7 164.5 23.2 18.1 16.4 44 44 A E T 3 S+ 0 0 141 -15,-0.4 55,-0.1 1,-0.3 -14,-0.1 0.755 117.9 59.7 -66.1 -22.1 24.8 17.7 13.0 45 45 A N T 3 S- 0 0 107 53,-0.4 -1,-0.3 2,-0.1 3,-0.1 0.343 120.9-106.6 -84.1 4.2 26.9 14.7 14.2 46 46 A G S < S+ 0 0 42 -3,-2.1 -2,-0.1 1,-0.3 2,-0.0 0.309 80.1 129.9 88.9 -7.8 23.7 12.9 15.0 47 47 A S - 0 0 16 51,-0.2 -4,-2.6 -5,-0.1 -1,-0.3 -0.322 39.2-161.1 -75.9 163.7 24.1 13.3 18.7 48 48 A K E -B 42 0A 97 -6,-0.2 2,-0.4 -3,-0.1 -6,-0.2 -0.916 20.6-144.2-140.7 165.6 21.3 14.6 20.9 49 49 A I E -B 41 0A 0 -8,-2.4 -8,-3.1 -2,-0.3 2,-0.4 -0.996 20.6-160.0-129.9 132.2 20.4 16.1 24.2 50 50 A I E -BC 40 63A 63 13,-2.5 13,-2.6 -2,-0.4 2,-0.5 -0.934 6.2-171.3-120.9 131.2 17.1 15.2 25.8 51 51 A I E +BC 39 62A 0 -12,-2.9 -12,-2.8 -2,-0.4 2,-0.3 -0.987 15.1 164.4-128.2 124.1 15.3 17.2 28.5 52 52 A N E - C 0 61A 44 9,-2.1 9,-3.0 -2,-0.5 2,-0.4 -0.931 34.3-112.1-140.5 160.2 12.3 15.9 30.4 53 53 A R E - C 0 60A 74 -2,-0.3 2,-0.6 7,-0.2 7,-0.2 -0.780 12.6-160.9 -93.4 137.4 10.1 16.5 33.5 54 54 A Q E >>> - C 0 59A 54 5,-3.2 5,-1.8 -2,-0.4 3,-1.1 -0.807 14.4-174.5-112.7 84.0 10.1 14.1 36.4 55 55 A E G >45S+ 0 0 85 -2,-0.6 3,-1.3 1,-0.3 -1,-0.2 0.833 74.9 55.2 -51.3 -51.4 6.8 15.2 38.0 56 56 A P G 345S+ 0 0 92 0, 0.0 -1,-0.3 0, 0.0 -53,-0.0 0.820 117.4 37.4 -55.1 -32.2 6.9 13.0 41.1 57 57 A L G <45S- 0 0 93 -3,-1.1 -2,-0.2 2,-0.1 3,-0.1 0.437 103.6-126.2 -98.0 -1.9 10.3 14.4 42.1 58 58 A H T <<5 + 0 0 34 -3,-1.3 15,-0.7 -4,-0.7 2,-0.3 0.894 67.7 134.7 53.9 41.2 9.7 18.0 40.9 59 59 A Q E < -CD 54 72A 11 -5,-1.8 -5,-3.2 13,-0.1 2,-0.4 -0.872 55.4-140.1-120.2 156.5 12.9 17.6 38.9 60 60 A V E -CD 53 71A 0 11,-1.8 11,-3.0 -2,-0.3 2,-0.4 -0.949 25.1-152.0-104.9 132.0 14.1 18.3 35.4 61 61 A W E -CD 52 70A 65 -9,-3.0 -9,-2.1 -2,-0.4 2,-0.4 -0.874 6.6-160.4-111.0 143.1 16.3 15.6 33.8 62 62 A L E -CD 51 69A 2 7,-2.8 7,-2.4 -2,-0.4 2,-0.5 -0.971 3.3-169.7-119.4 129.0 19.0 16.1 31.2 63 63 A A E +CD 50 68A 40 -13,-2.6 -13,-2.5 -2,-0.4 5,-0.2 -0.989 16.4 169.6-121.4 120.0 20.4 13.3 29.1 64 64 A T - 0 0 21 3,-3.0 -15,-0.1 -2,-0.5 27,-0.0 -0.644 52.1 -93.6-119.6 177.9 23.5 14.0 27.0 65 65 A K S S+ 0 0 160 1,-0.2 -16,-0.1 -2,-0.2 3,-0.1 0.868 125.9 42.1 -60.8 -30.0 25.9 12.0 25.0 66 66 A Q S S- 0 0 134 1,-0.1 2,-0.3 28,-0.0 -1,-0.2 0.797 123.9 -51.6 -88.7 -27.8 28.1 11.8 28.1 67 67 A G - 0 0 29 2,-0.0 -3,-3.0 0, 0.0 2,-0.4 -0.933 54.5 -73.7-179.6-166.1 25.6 11.1 30.9 68 68 A G E -D 63 0A 41 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.980 33.2-172.0-129.0 138.3 22.4 11.9 32.8 69 69 A Y E -D 62 0A 50 -7,-2.4 -7,-2.8 -2,-0.4 2,-0.4 -0.997 8.9-153.1-134.7 137.7 21.9 14.8 35.3 70 70 A H E -D 61 0A 34 -2,-0.3 11,-3.2 -9,-0.2 2,-0.5 -0.951 12.3-157.4-121.3 128.2 19.0 15.4 37.6 71 71 A F E -DE 60 80A 0 -11,-3.0 -11,-1.8 -2,-0.4 2,-0.3 -0.920 6.0-158.1-119.6 131.4 18.0 18.9 38.8 72 72 A D E -DE 59 79A 46 7,-2.4 7,-2.6 -2,-0.5 2,-0.4 -0.690 33.3-104.4 -91.7 151.6 16.0 20.2 41.7 73 73 A L E + E 0 78A 37 -15,-0.7 2,-0.3 -2,-0.3 5,-0.2 -0.654 41.6 175.5 -70.3 126.4 14.3 23.6 41.9 74 74 A K E > - E 0 77A 104 3,-3.0 3,-2.2 -2,-0.4 -1,-0.0 -0.861 67.9 -42.3-139.3 95.4 16.4 25.9 44.1 75 75 A G T 3 S- 0 0 72 -2,-0.3 3,-0.1 1,-0.3 -2,-0.0 0.945 120.4 -40.7 46.1 66.2 15.0 29.4 44.3 76 76 A D T 3 S+ 0 0 128 1,-0.2 -1,-0.3 0, 0.0 2,-0.2 0.342 126.6 103.3 69.9 -8.6 14.2 29.9 40.6 77 77 A E E < -E 74 0A 104 -3,-2.2 -3,-3.0 10,-0.0 2,-0.5 -0.592 68.6-135.5 -98.4 155.2 17.5 28.0 39.9 78 78 A W E -E 73 0A 16 -5,-0.2 9,-2.4 -2,-0.2 2,-0.4 -0.989 25.6-169.2-117.1 119.2 17.9 24.3 38.8 79 79 A I E -EF 72 86A 25 -7,-2.6 -7,-2.4 -2,-0.5 7,-0.2 -0.921 25.7-114.7-119.2 133.3 20.7 22.5 40.6 80 80 A C E > -E 71 0A 4 5,-3.1 4,-2.5 -2,-0.4 3,-0.3 -0.414 19.7-143.9 -67.9 126.8 22.2 19.1 39.9 81 81 A D T 4 S+ 0 0 71 -11,-3.2 -1,-0.2 1,-0.2 -10,-0.1 0.477 96.4 41.6 -73.5 -1.4 21.4 16.7 42.8 82 82 A R T 4 S+ 0 0 188 -12,-0.3 -1,-0.2 3,-0.1 -11,-0.1 0.608 131.8 15.2-111.0 -27.3 24.8 15.0 42.5 83 83 A S T 4 S- 0 0 58 -3,-0.3 -2,-0.2 2,-0.2 3,-0.1 0.595 87.2-121.9-128.8 -20.4 27.2 17.8 42.0 84 84 A G < + 0 0 46 -4,-2.5 -3,-0.1 1,-0.3 2,-0.1 0.467 63.9 140.6 84.3 -4.6 25.5 21.2 42.8 85 85 A E - 0 0 99 -6,-0.1 -5,-3.1 1,-0.1 -1,-0.3 -0.404 54.5-106.6 -77.3 155.6 26.1 22.5 39.2 86 86 A T B > -F 79 0A 26 -7,-0.2 4,-2.4 1,-0.1 5,-0.3 -0.449 15.6-125.5 -83.4 152.6 23.5 24.6 37.5 87 87 A F H > S+ 0 0 1 -9,-2.4 4,-3.0 1,-0.2 5,-0.3 0.926 110.2 52.2 -56.4 -47.0 21.3 23.3 34.7 88 88 A W H > S+ 0 0 53 -10,-0.3 4,-2.4 1,-0.2 5,-0.2 0.935 109.7 49.1 -63.8 -37.8 22.3 26.1 32.4 89 89 A D H > S+ 0 0 87 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.938 114.8 43.6 -62.9 -43.4 26.0 25.5 32.9 90 90 A L H X S+ 0 0 7 -4,-2.4 4,-2.3 2,-0.2 5,-0.2 0.886 114.4 50.2 -72.3 -31.8 25.7 21.7 32.2 91 91 A L H X S+ 0 0 0 -4,-3.0 4,-2.9 -5,-0.3 5,-0.3 0.930 111.6 47.7 -69.2 -43.6 23.4 22.2 29.2 92 92 A E H X S+ 0 0 31 -4,-2.4 4,-2.5 -5,-0.3 11,-0.4 0.916 111.9 50.9 -62.5 -39.2 25.8 24.8 27.7 93 93 A Q H X S+ 0 0 85 -4,-2.3 4,-2.3 -5,-0.2 -2,-0.2 0.952 114.4 43.0 -63.2 -46.5 28.8 22.5 28.3 94 94 A A H X S+ 0 0 4 -4,-2.3 4,-2.9 1,-0.2 5,-0.3 0.930 115.7 46.9 -66.2 -45.6 27.0 19.5 26.7 95 95 A A H X S+ 0 0 1 -4,-2.9 4,-2.7 -5,-0.2 6,-0.3 0.913 112.7 50.3 -64.3 -39.9 25.6 21.5 23.7 96 96 A T H X>S+ 0 0 45 -4,-2.5 4,-1.8 -5,-0.3 5,-0.7 0.938 114.0 44.9 -64.3 -44.3 29.0 23.2 23.1 97 97 A Q H <5S+ 0 0 119 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.929 117.3 44.7 -64.6 -42.7 30.8 19.8 23.1 98 98 A Q H <5S+ 0 0 13 -4,-2.9 -53,-0.4 1,-0.2 -51,-0.2 0.827 118.6 41.8 -80.3 -27.9 28.2 18.1 20.9 99 99 A A H <5S- 0 0 20 -4,-2.7 -1,-0.2 -5,-0.3 -2,-0.2 0.733 99.5-132.1 -81.6 -22.7 27.9 21.0 18.4 100 100 A G T <5S+ 0 0 68 -4,-1.8 2,-0.3 -5,-0.3 -3,-0.2 0.746 81.1 76.6 73.9 17.9 31.7 21.7 18.3 101 101 A E S