==== 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 STRUCTURAL GENOMICS, UNKNOWN FUNCTION 02-MAY-07 2PQV . COMPND 2 MOLECULE: MUTT/NUDIX FAMILY PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS PNEUMONIAE; . AUTHOR C.CHANG,T.A.BINKOWSKI,M.ZHOU,J.ABDULLAH,A.JOACHIMIAK,MIDWEST . 302 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15835.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 218 72.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 36 11.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 92 30.5 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 . 10 3.3 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 . 36 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 29 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 1 0 0 1 0 0 2 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 6 2 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 2 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 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 X 0 0 214 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 142.2 18.2 44.6 18.6 2 2 A T - 0 0 148 1,-0.1 2,-0.3 0, 0.0 0, 0.0 -0.312 360.0-138.3 -55.8 128.3 17.9 40.9 18.0 3 3 A Q - 0 0 96 1,-0.1 2,-0.2 -2,-0.0 -1,-0.1 -0.669 17.5-108.1 -92.1 147.3 14.3 39.8 17.8 4 4 A Q - 0 0 74 -2,-0.3 43,-3.0 43,-0.1 2,-0.2 -0.535 31.3-124.4 -70.2 136.1 12.9 36.6 19.5 5 5 A D B -A 46 0A 48 41,-0.3 2,-2.0 -2,-0.2 41,-0.3 -0.587 21.2-117.5 -74.1 146.9 12.0 33.8 17.1 6 6 A F S S+ 0 0 3 39,-3.1 11,-2.3 11,-0.3 2,-0.3 -0.588 85.1 103.0 -82.9 73.0 8.4 32.5 17.4 7 7 A R E -B 16 0B 113 -2,-2.0 2,-0.3 9,-0.2 9,-0.2 -0.954 46.8-177.9-160.5 135.0 9.9 29.1 18.5 8 8 A T E -B 15 0B 25 7,-2.2 7,-2.9 -2,-0.3 2,-0.5 -0.994 15.0-149.4-141.4 145.2 10.2 27.4 21.8 9 9 A K E +B 14 0B 121 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.981 16.3 175.7-117.5 124.8 11.6 24.2 23.1 10 10 A V E > -B 13 0B 41 3,-2.5 3,-1.8 -2,-0.5 2,-0.2 -0.997 66.5 -41.6-126.1 126.1 10.1 22.4 26.1 11 11 A D T 3 S- 0 0 156 -2,-0.4 -2,-0.0 1,-0.2 0, 0.0 -0.408 126.5 -22.0 54.0-118.3 11.5 19.1 27.1 12 12 A N T 3 S+ 0 0 81 -2,-0.2 74,-2.3 -3,-0.1 2,-0.4 -0.016 119.4 90.5-111.8 28.6 12.1 17.2 23.7 13 13 A T E < -Bc 10 86B 25 -3,-1.8 -3,-2.5 72,-0.2 2,-0.5 -0.991 53.9-160.9-131.7 130.1 9.6 19.2 21.6 14 14 A V E -Bc 9 87B 13 72,-2.8 74,-2.4 -2,-0.4 2,-0.4 -0.930 16.3-178.1-105.6 128.6 10.1 22.3 19.5 15 15 A F E +Bc 8 88B 3 -7,-2.9 -7,-2.2 -2,-0.5 2,-0.3 -0.989 18.8 114.9-133.2 135.4 7.0 24.3 18.7 16 16 A G E -Bc 7 89B 2 72,-1.9 74,-2.2 -2,-0.4 2,-0.4 -0.954 55.4 -81.6-172.4-171.0 6.7 27.4 16.6 17 17 A V E - c 0 90B 3 -11,-2.3 28,-2.5 -2,-0.3 2,-0.3 -0.968 38.5-167.4-122.5 129.4 5.5 29.3 13.5 18 18 A R E -Dc 44 91B 53 72,-2.8 74,-2.6 -2,-0.4 2,-0.5 -0.867 16.3-146.3-116.4 147.2 7.3 29.2 10.2 19 19 A A E -Dc 43 92B 0 24,-3.0 24,-2.2 -2,-0.3 2,-0.4 -0.978 20.0-162.5-109.1 131.4 7.2 31.1 6.9 20 20 A T E -Dc 42 93B 0 72,-2.9 74,-2.9 -2,-0.5 2,-0.8 -0.935 11.1-143.7-117.0 133.5 7.9 29.1 3.8 21 21 A A E -Dc 41 94B 0 20,-3.1 2,-1.3 -2,-0.4 20,-0.7 -0.843 10.9-171.1-101.4 104.3 8.9 30.5 0.4 22 22 A L - 0 0 0 72,-3.0 2,-0.7 -2,-0.8 9,-0.1 -0.743 13.4-171.1 -93.3 85.5 7.4 28.6 -2.4 23 23 A I - 0 0 1 -2,-1.3 7,-2.7 7,-0.4 2,-0.5 -0.709 4.8-177.3 -84.4 113.5 9.2 30.3 -5.2 24 24 A V E +G 29 0C 45 -2,-0.7 2,-0.3 72,-0.6 5,-0.2 -0.965 9.2 161.8-120.3 122.7 7.8 29.1 -8.5 25 25 A Q E > -G 28 0C 66 3,-2.5 3,-1.4 -2,-0.5 -2,-0.0 -0.997 67.8 -0.7-141.0 137.9 9.2 30.3 -11.9 26 26 A N T 3 S- 0 0 138 -2,-0.3 -1,-0.1 1,-0.3 3,-0.1 0.894 131.5 -55.6 50.3 41.6 8.8 28.8 -15.4 27 27 A H T 3 S+ 0 0 93 1,-0.2 93,-2.4 92,-0.1 2,-0.3 0.690 117.3 111.5 68.6 23.3 6.6 26.0 -13.9 28 28 A K E < -GH 25 119C 76 -3,-1.4 -3,-2.5 91,-0.3 2,-0.4 -0.955 61.2-134.9-131.9 145.4 9.4 25.0 -11.4 29 29 A L E -GH 24 118C 1 89,-3.1 89,-2.9 -2,-0.3 2,-0.6 -0.851 21.1-128.4-101.1 132.1 9.8 25.2 -7.7 30 30 A L E + H 0 117C 1 -7,-2.7 11,-0.5 -2,-0.4 -7,-0.4 -0.720 41.6 167.0 -79.1 116.9 13.1 26.5 -6.2 31 31 A V E - H 0 116C 0 85,-3.1 85,-2.6 -2,-0.6 2,-0.3 -0.839 27.9-132.8-125.8 165.1 14.3 23.9 -3.6 32 32 A T E -IH 39 115C 2 7,-3.0 7,-3.3 -2,-0.3 2,-0.4 -0.925 15.2-141.1-121.6 149.8 17.4 23.2 -1.7 33 33 A K E +I 38 0C 69 81,-1.7 2,-0.3 -2,-0.3 5,-0.2 -0.869 23.1 163.7-112.4 138.8 19.2 19.9 -1.2 34 34 A D E > S-I 37 0C 63 3,-2.6 3,-1.6 -2,-0.4 79,-0.1 -0.857 71.2 -18.3-156.1 120.7 21.0 18.5 1.9 35 35 A K T 3 S- 0 0 191 -2,-0.3 3,-0.1 1,-0.3 2,-0.0 0.930 126.3 -48.4 48.6 57.7 22.0 14.9 2.6 36 36 A G T 3 S+ 0 0 33 1,-0.2 91,-0.4 90,-0.0 -1,-0.3 0.110 119.6 98.8 79.4 -23.3 19.7 13.4 -0.0 37 37 A K E < -I 34 0C 86 -3,-1.6 -3,-2.6 89,-0.1 2,-0.4 -0.644 63.8-134.9-100.4 157.1 16.6 15.3 1.0 38 38 A Y E -Ij 33 128C 25 89,-2.9 91,-2.4 -2,-0.2 2,-0.3 -0.898 22.3-174.7-113.5 141.3 15.1 18.4 -0.4 39 39 A Y E -Ij 32 129C 83 -7,-3.3 -7,-3.0 -2,-0.4 2,-0.2 -0.852 21.4-114.9-130.9 161.9 13.8 21.4 1.5 40 40 A T - 0 0 9 89,-0.5 2,-0.2 -2,-0.3 -9,-0.1 -0.613 35.7-102.0 -90.8 155.1 12.0 24.7 1.0 41 41 A I E S+D 21 0B 0 -20,-0.7 -20,-3.1 -11,-0.5 2,-0.3 -0.571 77.0 79.4 -67.5 136.1 13.4 28.2 1.6 42 42 A G E -D 20 0B 1 -22,-0.2 2,-0.3 -2,-0.2 -22,-0.2 -0.926 43.0-169.7 152.4-174.4 12.1 29.6 4.9 43 43 A G E -D 19 0B 5 -24,-2.2 -24,-3.0 -2,-0.3 15,-0.1 -0.983 44.8 -31.9 172.4-178.1 12.3 29.7 8.6 44 44 A A E -D 18 0B 18 -2,-0.3 -26,-0.3 -26,-0.2 2,-0.1 -0.309 54.2-128.1 -61.0 134.9 10.8 30.8 11.9 45 45 A I - 0 0 0 -28,-2.5 -39,-3.1 -39,-0.3 2,-0.3 -0.465 30.7-111.7 -70.2 158.8 8.8 34.0 11.9 46 46 A Q B > -A 5 0A 38 -41,-0.3 3,-2.1 4,-0.2 -41,-0.3 -0.645 35.7 -91.6 -90.5 153.4 9.9 36.5 14.6 47 47 A V T 3 S+ 0 0 4 -43,-3.0 -43,-0.1 1,-0.3 3,-0.1 -0.457 116.9 14.3 -60.6 132.4 7.7 37.4 17.6 48 48 A N T 3 S+ 0 0 56 1,-0.3 2,-0.4 -2,-0.1 -1,-0.3 0.551 102.9 120.1 74.3 11.8 5.6 40.5 16.5 49 49 A E < - 0 0 23 -3,-2.1 -1,-0.3 191,-0.0 2,-0.1 -0.868 65.0-121.2-104.2 141.0 6.5 40.0 12.8 50 50 A S > - 0 0 8 -2,-0.4 4,-2.5 1,-0.1 -4,-0.2 -0.435 23.1-120.4 -73.5 153.6 3.9 39.4 10.1 51 51 A T H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.840 114.8 56.0 -65.8 -30.9 4.2 36.1 8.2 52 52 A E H > S+ 0 0 46 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.938 109.6 44.6 -61.7 -49.4 4.6 38.2 5.0 53 53 A D H > S+ 0 0 98 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.895 112.6 54.2 -63.8 -37.6 7.5 40.2 6.4 54 54 A A H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.932 107.6 47.8 -61.1 -47.0 9.0 36.9 7.7 55 55 A V H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.906 113.2 48.2 -65.7 -38.1 9.0 35.2 4.3 56 56 A V H X S+ 0 0 44 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.915 113.3 48.2 -66.5 -41.1 10.5 38.2 2.7 57 57 A R H X S+ 0 0 34 -4,-2.5 4,-2.9 2,-0.2 -2,-0.2 0.891 109.7 52.4 -64.4 -41.0 13.2 38.4 5.4 58 58 A E H X S+ 0 0 10 -4,-2.8 4,-3.0 2,-0.2 5,-0.4 0.901 109.3 49.3 -62.3 -42.2 13.9 34.6 5.1 59 59 A V H X>S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 5,-1.0 0.928 112.1 49.0 -62.9 -43.7 14.4 35.0 1.3 60 60 A K H X5S+ 0 0 147 -4,-2.2 4,-1.1 4,-0.2 -2,-0.2 0.939 115.8 43.7 -58.3 -47.3 16.8 38.0 2.0 61 61 A E H <5S+ 0 0 93 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.939 124.9 30.9 -65.9 -47.3 18.7 35.9 4.6 62 62 A E H <5S+ 0 0 6 -4,-3.0 45,-1.9 -5,-0.2 -3,-0.2 0.832 134.8 23.6 -88.2 -33.3 18.9 32.6 2.7 63 63 A L H <5S- 0 0 11 -4,-2.7 -3,-0.2 -5,-0.4 -2,-0.2 0.612 90.2-132.1-107.9 -19.1 19.0 33.8 -0.9 64 64 A G << + 0 0 58 -4,-1.1 2,-0.3 -5,-1.0 -4,-0.2 0.735 67.1 114.2 74.0 24.0 20.4 37.4 -0.6 65 65 A V - 0 0 12 -6,-0.7 -1,-0.3 35,-0.1 -2,-0.2 -0.906 68.8-108.2-128.0 155.0 17.7 38.8 -2.9 66 66 A K + 0 0 150 -2,-0.3 33,-2.7 -3,-0.1 34,-0.6 -0.505 45.8 162.1 -77.2 148.3 14.7 41.1 -2.7 67 67 A A E -E 98 0B 10 31,-0.3 2,-0.3 32,-0.2 31,-0.2 -0.974 34.0-127.5-158.8 163.5 11.2 39.6 -2.9 68 68 A Q E -E 97 0B 107 29,-2.8 29,-2.4 -2,-0.3 -15,-0.0 -0.918 28.1-121.9-117.1 150.8 7.5 40.2 -2.2 69 69 A A E - 0 0 13 -2,-0.3 -1,-0.1 27,-0.2 29,-0.1 0.861 44.0-178.2 -60.8 -39.3 5.4 37.7 -0.2 70 70 A G E - 0 0 35 26,-0.2 26,-0.2 24,-0.1 2,-0.2 -0.264 45.1 -6.2 69.1-160.5 2.8 37.1 -3.0 71 71 A Q E -E 95 0B 114 24,-0.6 24,-3.0 23,-0.1 2,-0.7 -0.434 64.4-126.7 -70.4 132.0 -0.2 34.8 -2.5 72 72 A L E +E 94 0B 18 22,-0.2 22,-0.2 -2,-0.2 3,-0.1 -0.720 33.3 175.1 -74.5 117.9 -0.6 32.7 0.7 73 73 A A E + 0 0 0 20,-2.8 72,-2.3 -2,-0.7 2,-0.4 0.884 56.1 14.2 -91.3 -46.2 -1.1 29.2 -0.6 74 74 A F E -Ef 93 145B 0 19,-1.4 19,-2.8 70,-0.2 2,-0.5 -0.980 43.8-159.3-137.9 144.2 -1.2 27.1 2.5 75 75 A V E -Ef 92 146B 0 70,-2.1 72,-2.6 -2,-0.4 2,-0.4 -0.995 35.7-167.0-115.4 117.8 -1.6 27.3 6.3 76 76 A V E -Ef 91 147B 2 15,-2.8 15,-2.8 -2,-0.5 2,-0.6 -0.882 27.0-156.3-116.9 132.6 -0.1 24.0 7.5 77 77 A E E -E 90 0B 5 70,-2.6 2,-0.4 -2,-0.4 13,-0.2 -0.956 31.3-176.2-100.1 119.2 -0.2 22.2 10.8 78 78 A N E -E 89 0B 28 11,-2.8 11,-2.7 -2,-0.6 2,-0.4 -0.975 18.4-179.2-128.3 122.1 3.0 20.0 10.7 79 79 A R E +E 88 0B 103 -2,-0.4 2,-0.3 9,-0.2 9,-0.2 -0.977 22.7 146.4-115.1 134.9 4.3 17.5 13.2 80 80 A F E -E 87 0B 69 7,-1.8 7,-2.8 -2,-0.4 2,-0.4 -0.980 38.7-121.3-158.1 167.1 7.5 15.6 12.5 81 81 A E E +E 86 0B 125 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.929 20.0 179.9-113.2 135.3 10.6 14.1 14.0 82 82 A V E > S-E 85 0B 62 3,-2.4 3,-2.2 -2,-0.4 -2,-0.0 -0.960 75.9 -22.3-132.9 123.1 14.2 15.0 13.4 83 83 A D T 3 S- 0 0 164 -2,-0.4 3,-0.1 1,-0.3 -1,-0.0 0.839 127.0 -51.0 49.8 40.2 17.1 13.2 15.2 84 84 A G T 3 S+ 0 0 48 1,-0.3 2,-0.4 0, 0.0 -1,-0.3 0.419 112.9 117.3 82.3 -0.1 14.7 12.2 18.0 85 85 A V E < - E 0 82B 20 -3,-2.2 -3,-2.4 -72,-0.0 2,-0.3 -0.856 60.2-133.8-100.0 133.3 13.3 15.7 18.6 86 86 A S E -cE 13 81B 19 -74,-2.3 -72,-2.8 -2,-0.4 2,-0.4 -0.667 19.9-163.6 -83.4 140.8 9.6 16.3 18.0 87 87 A Y E -cE 14 80B 65 -7,-2.8 -7,-1.8 -2,-0.3 2,-0.4 -0.974 12.3-174.3-124.7 140.0 8.6 19.4 16.1 88 88 A H E +cE 15 79B 0 -74,-2.4 -72,-1.9 -2,-0.4 2,-0.4 -0.913 19.3 174.6-133.6 107.4 5.2 21.0 15.9 89 89 A N E -cE 16 78B 23 -11,-2.7 -11,-2.8 -2,-0.4 2,-0.5 -0.854 31.5-152.4-110.7 145.7 4.9 23.9 13.4 90 90 A I E -cE 17 77B 0 -74,-2.2 -72,-2.8 -2,-0.4 2,-0.4 -0.985 33.9-164.6-101.5 129.5 2.2 26.2 12.1 91 91 A E E -cE 18 76B 5 -15,-2.8 -15,-2.8 -2,-0.5 2,-0.6 -0.946 20.8-155.4-123.8 137.6 3.6 27.1 8.6 92 92 A F E -cE 19 75B 0 -74,-2.6 -72,-2.9 -2,-0.4 2,-0.7 -0.943 15.6-158.6-110.1 114.9 2.5 29.8 6.2 93 93 A H E -cE 20 74B 0 -19,-2.8 -20,-2.8 -2,-0.6 -19,-1.4 -0.853 10.9-167.8-102.7 114.9 3.5 28.9 2.7 94 94 A Y E -cE 21 72B 2 -74,-2.9 -72,-3.0 -2,-0.7 2,-1.9 -0.841 28.6-134.6-107.5 138.2 3.7 31.9 0.3 95 95 A L E - 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