==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 29-OCT-12 4HS5 . COMPND 2 MOLECULE: PROTEIN CYAY; . SOURCE 2 ORGANISM_SCIENTIFIC: PSYCHROMONAS INGRAHAMII; . AUTHOR E.A.ROMAN,A.COUSIDO-SIAH,A.MITSCHLER,A.PODJARNY,J.SANTOS . 210 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11639.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 159 75.7 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 . 62 29.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 1.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 2.9 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 . 23 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 64 30.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 2 0 0 0 0 0 0 0 0 2 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 . 2 0 0 4 4 2 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 2 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 0 101 0, 0.0 2,-0.2 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 134.0 28.9 3.1 11.7 2 2 A N > - 0 0 80 1,-0.0 4,-2.3 54,-0.0 5,-0.2 -0.579 360.0 -95.6-104.8 177.4 29.9 6.2 13.6 3 3 A D H > S+ 0 0 67 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.895 122.2 53.7 -60.5 -42.7 27.8 8.4 15.9 4 4 A S H > S+ 0 0 68 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.911 112.1 44.9 -59.1 -45.2 26.9 10.9 13.1 5 5 A E H > S+ 0 0 87 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.869 110.4 53.8 -65.8 -40.6 25.7 8.2 10.8 6 6 A F H X S+ 0 0 0 -4,-2.3 4,-2.9 1,-0.2 5,-0.2 0.917 108.2 51.5 -61.2 -39.9 23.7 6.5 13.6 7 7 A I H X S+ 0 0 52 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.909 108.5 50.6 -64.2 -42.4 22.0 9.8 14.2 8 8 A Q H X S+ 0 0 100 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.934 114.6 43.4 -59.0 -48.6 21.1 10.2 10.6 9 9 A L H X S+ 0 0 32 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.892 114.4 48.9 -66.9 -40.8 19.6 6.7 10.5 10 10 A A H X S+ 0 0 0 -4,-2.9 4,-2.7 -5,-0.2 -1,-0.2 0.884 110.6 51.6 -68.8 -36.6 17.8 7.1 13.8 11 11 A D H X S+ 0 0 47 -4,-2.6 4,-2.8 -5,-0.2 5,-0.2 0.910 108.8 51.0 -61.2 -44.8 16.4 10.4 12.7 12 12 A Q H X S+ 0 0 127 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.914 111.6 49.0 -58.5 -42.7 15.1 8.8 9.5 13 13 A L H X S+ 0 0 7 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.940 111.4 47.4 -61.6 -48.6 13.5 6.1 11.7 14 14 A Y H X S+ 0 0 2 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.935 114.5 46.1 -63.1 -44.6 11.8 8.6 14.0 15 15 A Q H X S+ 0 0 29 -4,-2.8 4,-3.1 2,-0.2 -1,-0.2 0.871 110.7 53.9 -66.4 -34.7 10.5 10.7 11.2 16 16 A K H X S+ 0 0 84 -4,-2.3 4,-2.7 -5,-0.2 5,-0.2 0.916 109.0 49.3 -62.0 -42.3 9.3 7.5 9.3 17 17 A I H X S+ 0 0 0 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.952 114.4 45.0 -62.9 -45.9 7.4 6.5 12.5 18 18 A E H X S+ 0 0 17 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.916 115.2 46.4 -63.2 -47.5 5.8 10.0 12.7 19 19 A E H X S+ 0 0 9 -4,-3.1 4,-2.3 2,-0.2 -1,-0.2 0.897 111.0 51.7 -62.8 -42.9 5.0 10.3 9.0 20 20 A K H X S+ 0 0 22 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.836 109.3 51.2 -66.4 -34.5 3.5 6.7 8.9 21 21 A I H X>S+ 0 0 4 -4,-1.8 4,-1.1 -5,-0.2 5,-0.6 0.935 112.5 45.2 -61.7 -48.5 1.3 7.6 11.9 22 22 A E H <5S+ 0 0 86 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.874 115.7 48.7 -63.2 -36.1 0.0 10.8 10.2 23 23 A E H <5S+ 0 0 75 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.843 107.7 52.3 -73.7 -38.5 -0.4 8.8 7.0 24 24 A S H <5S- 0 0 48 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.729 99.9-135.0 -69.7 -24.4 -2.4 5.9 8.5 25 25 A G T <5 + 0 0 58 -4,-1.1 -3,-0.1 1,-0.2 -4,-0.1 0.369 50.2 156.8 80.7 -2.1 -4.8 8.4 10.1 26 26 A A < - 0 0 13 -5,-0.6 2,-1.9 74,-0.2 -1,-0.2 -0.078 54.8-112.8 -64.1 153.5 -4.5 6.4 13.4 27 27 A D + 0 0 87 -3,-0.1 15,-0.6 2,-0.0 2,-0.4 -0.559 68.5 132.3 -85.5 74.4 -5.2 7.8 16.8 28 28 A V E -A 41 0A 8 -2,-1.9 2,-0.3 13,-0.1 13,-0.2 -0.991 44.4-151.0-126.3 120.0 -1.6 7.6 18.0 29 29 A D E -A 40 0A 123 11,-2.8 11,-2.5 -2,-0.4 2,-0.4 -0.696 14.8-166.5 -85.8 141.7 -0.1 10.6 19.8 30 30 A Y E +A 39 0A 52 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.994 10.9 175.9-129.6 141.1 3.7 11.0 19.5 31 31 A D E -A 38 0A 105 7,-1.8 7,-2.7 -2,-0.4 2,-0.5 -0.982 17.4-149.5-141.2 132.0 6.1 13.2 21.4 32 32 A Q E +A 37 0A 36 -2,-0.4 2,-0.4 5,-0.2 5,-0.2 -0.884 16.3 175.7 -98.9 129.4 9.9 13.5 21.2 33 33 A N E > -A 36 0A 100 3,-2.6 3,-2.1 -2,-0.5 2,-0.4 -0.911 67.0 -53.2-131.9 101.5 11.7 14.4 24.4 34 34 A G T 3 S- 0 0 40 -2,-0.4 0, 0.0 1,-0.3 0, 0.0 -0.525 123.9 -18.5 62.8-121.7 15.5 14.3 23.9 35 35 A S T 3 S+ 0 0 46 -2,-0.4 2,-0.4 16,-0.1 16,-0.3 0.495 119.0 100.4 -94.0 -2.4 16.2 10.9 22.5 36 36 A L E < -A 33 0A 54 -3,-2.1 -3,-2.6 14,-0.2 2,-0.5 -0.662 49.9-170.0 -86.3 133.0 12.9 9.5 23.7 37 37 A L E -AB 32 49A 0 12,-2.9 12,-2.9 -2,-0.4 2,-0.5 -0.972 12.0-166.2-119.3 113.8 9.9 9.0 21.3 38 38 A T E -AB 31 48A 37 -7,-2.7 -7,-1.8 -2,-0.5 2,-0.5 -0.869 6.1-162.6-105.0 129.4 6.8 8.2 23.2 39 39 A L E -AB 30 47A 0 8,-2.9 8,-2.1 -2,-0.5 2,-0.4 -0.935 9.5-168.3-107.0 130.3 3.7 6.9 21.5 40 40 A E E -AB 29 46A 61 -11,-2.5 -11,-2.8 -2,-0.5 6,-0.2 -0.968 5.9-156.4-122.1 139.4 0.4 7.0 23.3 41 41 A F E > -A 28 0A 6 4,-2.3 3,-2.0 -2,-0.4 -13,-0.1 -0.581 34.9-106.7-103.2 165.9 -2.9 5.4 22.5 42 42 A E T 3 S+ 0 0 143 -15,-0.6 -14,-0.1 1,-0.3 -1,-0.1 0.740 118.8 66.6 -73.6 -14.3 -6.3 6.5 23.6 43 43 A N T 3 S- 0 0 81 2,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.391 117.8-116.1 -77.0 4.5 -6.5 3.6 26.0 44 44 A H S < S+ 0 0 147 -3,-2.0 -2,-0.1 1,-0.3 2,-0.1 0.469 74.5 130.1 74.3 5.4 -3.7 5.5 27.7 45 45 A T - 0 0 31 51,-0.1 -4,-2.3 1,-0.0 2,-0.3 -0.437 41.2-156.2 -76.9 164.2 -1.1 2.7 27.1 46 46 A K E -B 40 0A 103 -6,-0.2 2,-0.4 -2,-0.1 -6,-0.2 -0.909 21.6-146.6-139.4 163.0 2.2 3.7 25.6 47 47 A L E -B 39 0A 0 -8,-2.1 -8,-2.9 -2,-0.3 2,-0.5 -0.993 21.3-151.9-125.9 139.2 5.2 2.5 23.6 48 48 A I E -BC 38 61A 76 13,-1.9 13,-2.8 -2,-0.4 2,-0.4 -0.952 9.4-170.0-118.4 123.0 8.6 4.1 24.4 49 49 A I E +BC 37 60A 0 -12,-2.9 -12,-2.9 -2,-0.5 2,-0.3 -0.890 10.3 178.6-111.2 137.8 11.3 4.3 21.8 50 50 A N E - C 0 59A 35 9,-2.2 9,-3.0 -2,-0.4 2,-0.4 -0.943 22.4-136.8-136.8 155.7 14.8 5.4 22.7 51 51 A R E - C 0 58A 22 -2,-0.3 2,-0.5 -16,-0.3 7,-0.2 -0.945 7.8-163.8-111.5 137.3 18.2 5.9 21.0 52 52 A Q E >>> - C 0 57A 48 5,-3.0 5,-1.6 -2,-0.4 3,-1.2 -0.803 8.0-174.5-120.7 89.9 21.3 4.6 22.5 53 53 A Q G >45S+ 0 0 81 -2,-0.5 3,-0.8 1,-0.3 -1,-0.2 0.850 79.3 52.2 -54.6 -47.2 24.1 6.4 20.7 54 54 A P G 345S+ 0 0 106 0, 0.0 -1,-0.3 0, 0.0 -51,-0.0 0.768 118.6 39.3 -65.4 -18.1 27.2 4.7 22.1 55 55 A L G <45S- 0 0 94 -3,-1.2 -2,-0.2 2,-0.2 3,-0.1 0.498 102.1-132.9-100.9 -9.1 25.6 1.3 21.3 56 56 A H T <<5 + 0 0 44 -4,-0.9 15,-0.5 -3,-0.8 2,-0.3 0.837 63.6 130.3 49.7 39.5 24.2 2.5 17.9 57 57 A Q E < -C 52 0A 18 -5,-1.6 -5,-3.0 13,-0.1 2,-0.4 -0.866 53.9-144.3-116.8 152.1 20.9 0.8 18.9 58 58 A V E -CD 51 69A 0 11,-1.6 11,-2.8 -2,-0.3 2,-0.3 -0.919 23.8-153.6-105.5 140.7 17.3 1.9 18.9 59 59 A W E -CD 50 68A 72 -9,-3.0 -9,-2.2 -2,-0.4 2,-0.4 -0.867 9.4-164.3-115.2 149.9 15.2 0.5 21.8 60 60 A L E -CD 49 67A 2 7,-2.4 7,-2.1 -2,-0.3 2,-0.6 -0.989 3.9-160.1-133.6 127.3 11.5 -0.2 22.1 61 61 A A E -CD 48 66A 32 -13,-2.8 -13,-1.9 -2,-0.4 5,-0.2 -0.940 12.5-177.9-104.4 119.0 9.6 -0.8 25.3 62 62 A T - 0 0 15 3,-2.7 -15,-0.1 -2,-0.6 27,-0.0 -0.358 50.5 -87.7 -92.7-174.8 6.2 -2.5 24.9 63 63 A L S S+ 0 0 106 -2,-0.1 3,-0.1 1,-0.1 -16,-0.0 0.807 126.7 30.4 -62.3 -28.8 3.9 -3.2 27.9 64 64 A E S S+ 0 0 152 1,-0.2 2,-0.3 0, 0.0 -1,-0.1 0.874 121.4 9.2 -98.6 -47.5 5.8 -6.5 28.4 65 65 A N - 0 0 106 -5,-0.0 -3,-2.7 2,-0.0 2,-0.3 -0.869 58.1-114.6-141.9 162.0 9.4 -6.2 27.3 66 66 A G E -D 61 0A 53 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.792 30.4-162.7 -95.6 146.0 12.3 -4.1 26.2 67 67 A H E -D 60 0A 30 -7,-2.1 -7,-2.4 -2,-0.3 2,-0.4 -0.995 4.2-156.9-133.4 136.4 13.7 -4.7 22.7 68 68 A H E -D 59 0A 54 -2,-0.4 11,-3.0 -9,-0.2 2,-0.4 -0.954 11.9-162.9-120.4 130.8 17.1 -3.7 21.3 69 69 A Y E -DE 58 78A 0 -11,-2.8 -11,-1.6 -2,-0.4 2,-0.3 -0.919 9.4-161.5-122.6 138.3 17.7 -3.2 17.6 70 70 A D E - E 0 77A 50 7,-2.6 7,-3.2 -2,-0.4 2,-0.8 -0.812 34.1-107.4-104.6 153.9 20.8 -3.0 15.4 71 71 A Y E + E 0 76A 81 -15,-0.5 2,-0.3 -2,-0.3 5,-0.2 -0.730 57.6 146.6 -84.6 112.8 20.8 -1.6 11.9 72 72 A N E > + E 0 75A 87 3,-3.1 3,-1.7 -2,-0.8 -2,-0.0 -0.992 59.1 11.9-146.1 145.2 21.2 -4.5 9.5 73 73 A N T 3 S- 0 0 149 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.819 129.5 -62.6 56.3 31.2 19.9 -5.2 5.9 74 74 A G T 3 S+ 0 0 49 1,-0.3 -1,-0.3 -3,-0.0 2,-0.3 0.729 124.6 82.5 67.5 21.1 18.9 -1.6 5.7 75 75 A K E < S-E 72 0A 92 -3,-1.7 -3,-3.1 -5,-0.1 2,-0.6 -0.895 87.6 -96.0-143.9 174.4 16.5 -2.2 8.6 76 76 A W E -E 71 0A 13 -2,-0.3 9,-3.2 -5,-0.2 2,-0.4 -0.879 41.0-166.2-102.0 123.1 16.5 -2.3 12.4 77 77 A I E -EF 70 84A 37 -7,-3.2 -7,-2.6 -2,-0.6 7,-0.2 -0.929 24.5-115.0-120.3 129.4 16.7 -5.9 13.7 78 78 A D E > -E 69 0A 7 5,-3.0 4,-1.7 -2,-0.4 -9,-0.3 -0.414 21.9-142.4 -63.9 125.4 16.1 -7.2 17.2 79 79 A D T 4 S+ 0 0 57 -11,-3.0 -1,-0.1 1,-0.2 -10,-0.1 0.571 95.4 32.1 -74.0 -7.7 19.3 -8.5 18.6 80 80 A R T 4 S+ 0 0 206 -12,-0.3 -1,-0.2 3,-0.1 -11,-0.1 0.737 132.7 24.2-110.4 -41.8 17.7 -11.4 20.5 81 81 A S T 4 S- 0 0 66 2,-0.1 -2,-0.2 0, 0.0 3,-0.1 0.711 89.1-130.9 -98.7 -25.3 14.7 -12.4 18.3 82 82 A G < + 0 0 42 -4,-1.7 -3,-0.1 1,-0.3 -13,-0.0 0.404 53.8 150.1 85.6 -2.5 15.7 -11.1 14.9 83 83 A D - 0 0 80 -6,-0.1 -5,-3.0 1,-0.1 2,-0.3 -0.320 50.6-114.2 -65.5 145.6 12.4 -9.5 14.4 84 84 A E B > -F 77 0A 35 -7,-0.2 4,-2.5 1,-0.1 -7,-0.2 -0.640 20.6-129.4 -85.4 139.0 12.4 -6.4 12.3 85 85 A F H > S+ 0 0 0 -9,-3.2 4,-2.7 -2,-0.3 5,-0.2 0.873 101.1 44.1 -55.5 -52.1 11.5 -3.1 14.1 86 86 A L H > S+ 0 0 14 2,-0.2 4,-2.2 -10,-0.2 17,-0.3 0.893 115.2 48.9 -70.1 -36.9 8.8 -1.6 11.9 87 87 A T H > S+ 0 0 85 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.925 115.2 45.8 -60.2 -46.5 7.0 -5.0 11.5 88 88 A F H X S+ 0 0 36 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.876 109.4 54.6 -68.0 -37.3 7.1 -5.5 15.2 89 89 A L H X S+ 0 0 0 -4,-2.7 4,-2.7 2,-0.2 5,-0.2 0.925 107.5 49.9 -64.8 -43.8 6.0 -1.9 15.9 90 90 A S H X S+ 0 0 24 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.913 111.9 48.8 -57.7 -43.8 2.9 -2.4 13.8 91 91 A A H X S+ 0 0 50 -4,-1.8 4,-2.9 2,-0.2 -2,-0.2 0.905 111.7 49.4 -65.2 -41.3 2.1 -5.6 15.6 92 92 A A H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 5,-0.3 0.914 108.8 51.3 -64.5 -44.2 2.6 -3.9 19.0 93 93 A I H X S+ 0 0 0 -4,-2.7 4,-1.4 1,-0.2 6,-0.8 0.905 116.7 42.0 -58.8 -40.4 0.4 -1.0 18.1 94 94 A F H X S+ 0 0 93 -4,-2.1 4,-2.3 4,-0.2 -2,-0.2 0.890 114.0 50.8 -72.8 -39.7 -2.3 -3.5 17.1 95 95 A K H < S+ 0 0 98 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.795 119.5 35.9 -73.0 -26.8 -1.7 -5.9 20.0 96 96 A Q H < S+ 0 0 20 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.705 140.4 9.1 -92.9 -23.7 -2.0 -3.1 22.6 97 97 A S H < S- 0 0 32 -4,-1.4 -3,-0.2 -5,-0.3 -2,-0.2 0.416 86.9-124.2-143.4 -5.1 -4.7 -0.9 21.0 98 98 A K < + 0 0 134 -4,-2.3 2,-0.3 -5,-0.3 -4,-0.2 0.642 68.2 121.7 61.6 20.0 -6.2 -2.7 18.0 99 99 A E - 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