==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 09-SEP-03 1QXY . COMPND 2 MOLECULE: METHIONYL AMINOPEPTIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR A.DOUANGAMATH,G.E.DALE,A.D'ARCY,C.OEFNER . 249 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11202.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 177 71.1 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 . 57 22.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 20 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 65 26.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.2 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 0 0 0 0 0 1 0 1 0 1 0 0 0 0 0 0 1 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 . 3 8 1 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 2 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 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 23 0, 0.0 197,-2.2 0, 0.0 2,-0.6 0.000 360.0 360.0 360.0 169.8 7.4 15.0 8.9 2 2 A I B -A 197 0A 60 195,-0.2 2,-0.5 235,-0.1 195,-0.2 -0.955 360.0-133.7-102.5 118.9 9.7 16.1 11.6 3 3 A V + 0 0 24 193,-2.8 3,-0.1 -2,-0.6 194,-0.0 -0.614 38.7 156.6 -72.6 124.9 9.0 14.3 15.0 4 4 A K + 0 0 163 -2,-0.5 2,-0.3 1,-0.1 -1,-0.2 0.513 55.6 47.3-121.3 -18.4 8.9 16.8 17.8 5 5 A T S > S- 0 0 60 1,-0.1 4,-2.1 0, 0.0 5,-0.1 -0.923 73.7-123.6-130.2 157.9 6.8 15.0 20.5 6 6 A E H > S+ 0 0 102 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.857 113.1 58.2 -63.7 -33.6 6.6 11.7 22.1 7 7 A E H > S+ 0 0 129 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.883 106.4 47.9 -66.5 -38.0 2.9 11.4 21.0 8 8 A E H > S+ 0 0 39 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.926 111.1 51.3 -64.8 -46.4 4.0 11.8 17.4 9 9 A L H X S+ 0 0 27 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.928 111.1 47.7 -55.1 -49.1 6.7 9.2 17.8 10 10 A Q H X S+ 0 0 100 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.902 110.2 52.1 -60.9 -42.4 4.2 6.8 19.4 11 11 A A H X S+ 0 0 19 -4,-2.1 4,-2.1 2,-0.2 5,-0.2 0.898 111.3 47.2 -62.8 -40.6 1.7 7.3 16.6 12 12 A L H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.887 111.1 51.2 -66.8 -40.1 4.3 6.6 14.0 13 13 A K H X S+ 0 0 94 -4,-2.5 4,-2.4 -5,-0.2 -2,-0.2 0.888 109.2 52.2 -64.0 -37.4 5.5 3.5 15.8 14 14 A E H X S+ 0 0 78 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.962 112.8 41.4 -65.0 -50.3 1.9 2.2 16.0 15 15 A I H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.870 113.7 54.8 -68.4 -34.0 1.1 2.6 12.3 16 16 A G H X S+ 0 0 0 -4,-2.2 4,-2.5 -5,-0.2 -1,-0.2 0.917 107.6 49.6 -62.1 -43.0 4.5 1.2 11.4 17 17 A Y H X S+ 0 0 82 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.933 110.2 51.0 -58.1 -47.4 3.9 -1.9 13.4 18 18 A I H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.927 111.3 47.1 -60.1 -45.3 0.6 -2.4 11.8 19 19 A C H X S+ 0 0 0 -4,-2.5 4,-2.9 1,-0.2 -1,-0.2 0.905 112.4 49.9 -64.3 -38.9 2.1 -2.1 8.3 20 20 A A H X S+ 0 0 0 -4,-2.5 4,-2.8 226,-0.2 5,-0.2 0.916 110.4 50.3 -62.0 -42.8 4.9 -4.5 9.2 21 21 A K H X S+ 0 0 78 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.915 113.3 45.6 -62.0 -45.3 2.4 -7.0 10.6 22 22 A V H X S+ 0 0 0 -4,-2.5 4,-2.8 -5,-0.2 5,-0.3 0.938 112.8 50.0 -61.8 -49.7 0.3 -6.8 7.5 23 23 A R H X S+ 0 0 19 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.929 113.8 45.9 -54.0 -49.2 3.4 -7.0 5.2 24 24 A N H X S+ 0 0 70 -4,-2.8 4,-2.4 2,-0.2 -1,-0.2 0.900 113.1 49.0 -64.9 -40.8 4.7 -10.1 7.1 25 25 A T H X S+ 0 0 47 -4,-2.3 4,-1.4 -5,-0.2 -2,-0.2 0.922 113.2 46.8 -66.3 -42.4 1.3 -11.8 7.1 26 26 A M H X S+ 0 0 0 -4,-2.8 4,-0.6 2,-0.2 3,-0.2 0.916 112.2 50.0 -63.6 -47.9 0.8 -11.3 3.4 27 27 A Q H >< S+ 0 0 58 -4,-2.6 3,-1.5 -5,-0.3 -2,-0.2 0.942 109.5 51.3 -58.1 -46.8 4.3 -12.5 2.6 28 28 A A H 3< S+ 0 0 88 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.795 110.7 49.9 -60.5 -30.9 3.8 -15.6 4.6 29 29 A A H 3< S+ 0 0 29 -4,-1.4 2,-0.8 -3,-0.2 -1,-0.3 0.481 82.7 108.7 -84.9 -5.8 0.5 -16.3 2.8 30 30 A T << + 0 0 15 -3,-1.5 60,-0.0 -4,-0.6 6,-0.0 -0.651 43.1 135.9 -82.7 111.2 2.1 -15.9 -0.7 31 31 A K > - 0 0 116 -2,-0.8 3,-1.9 80,-0.1 53,-0.3 -0.958 63.8 -71.6-147.1 157.4 2.2 -19.3 -2.2 32 32 A P T 3 S+ 0 0 51 0, 0.0 53,-0.2 0, 0.0 3,-0.1 -0.283 118.2 31.6 -53.5 136.4 1.4 -20.8 -5.6 33 33 A G T 3 S+ 0 0 48 51,-2.8 2,-0.3 1,-0.4 52,-0.1 0.240 89.3 110.0 98.0 -14.4 -2.3 -20.9 -6.1 34 34 A I < - 0 0 25 -3,-1.9 50,-3.2 50,-0.1 -1,-0.4 -0.722 63.2-131.0 -86.4 145.9 -3.3 -17.8 -4.1 35 35 A T B > -B 83 0B 27 -2,-0.3 4,-1.9 48,-0.3 48,-0.2 -0.594 17.4-119.4 -90.4 157.4 -4.6 -14.8 -6.0 36 36 A T H > S+ 0 0 3 46,-2.2 4,-2.3 44,-0.3 45,-0.2 0.870 115.6 56.5 -65.2 -31.0 -3.3 -11.3 -5.4 37 37 A K H > S+ 0 0 99 43,-2.4 4,-2.2 45,-0.3 -1,-0.2 0.916 103.8 52.2 -64.2 -40.6 -6.8 -10.3 -4.4 38 38 A E H > S+ 0 0 94 42,-0.3 4,-0.9 1,-0.2 -1,-0.2 0.901 109.8 49.4 -61.8 -39.5 -6.9 -13.0 -1.7 39 39 A L H >X S+ 0 0 0 -4,-1.9 4,-1.1 1,-0.2 3,-0.9 0.934 108.9 52.7 -63.0 -41.9 -3.6 -11.6 -0.4 40 40 A D H 3X S+ 0 0 3 -4,-2.3 4,-2.0 1,-0.3 3,-0.3 0.864 100.3 62.6 -61.7 -34.4 -5.1 -8.0 -0.4 41 41 A N H 3X S+ 0 0 63 -4,-2.2 4,-2.2 1,-0.2 -1,-0.3 0.798 95.4 60.3 -63.2 -28.5 -8.1 -9.3 1.6 42 42 A I H S+ 0 0 3 -4,-3.1 5,-2.5 -5,-0.2 4,-0.6 0.920 112.2 47.3 -57.6 -42.9 -6.3 -2.9 8.8 48 48 A E H ><5S+ 0 0 141 -4,-1.9 3,-1.0 -5,-0.3 -2,-0.2 0.948 111.1 50.9 -62.6 -45.3 -9.9 -3.2 10.2 49 49 A E H 3<5S+ 0 0 137 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.883 116.5 40.2 -59.2 -39.0 -8.7 -5.2 13.3 50 50 A Y H 3<5S- 0 0 55 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 0.365 112.0-113.9 -96.0 2.8 -6.0 -2.6 14.1 51 51 A G T <<5S+ 0 0 51 -3,-1.0 48,-0.3 -4,-0.6 2,-0.2 0.820 71.7 130.1 72.6 29.5 -8.0 0.5 13.3 52 52 A A < - 0 0 5 -5,-2.5 2,-0.4 -6,-0.2 -1,-0.2 -0.687 46.5-140.4-110.5 166.6 -5.9 1.6 10.3 53 53 A I E -C 97 0C 88 44,-2.4 44,-2.4 -2,-0.2 2,-0.2 -0.985 28.4-101.2-127.8 141.2 -6.9 2.7 6.8 54 54 A S E > -C 96 0C 2 -2,-0.4 4,-2.5 42,-0.2 42,-0.3 -0.364 22.5-152.7 -57.3 126.1 -5.2 1.9 3.5 55 55 A A H >>S+ 0 0 0 40,-2.3 4,-3.0 2,-0.2 5,-0.9 0.916 95.3 55.5 -70.0 -41.0 -3.2 4.8 2.2 56 56 A P H >5S+ 0 0 8 0, 0.0 6,-2.3 0, 0.0 4,-1.4 0.939 114.4 40.2 -57.2 -45.5 -3.6 3.8 -1.4 57 57 A I H >5S+ 0 0 63 8,-0.3 4,-1.4 4,-0.3 -2,-0.2 0.955 123.5 39.9 -65.0 -48.2 -7.4 3.8 -1.0 58 58 A H H <5S+ 0 0 111 -4,-2.5 -3,-0.2 2,-0.2 -1,-0.1 0.922 126.5 29.7 -67.6 -53.5 -7.5 7.0 1.2 59 59 A D H <5S+ 0 0 51 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.1 0.861 137.7 19.1 -79.1 -38.1 -4.8 9.2 -0.5 60 60 A E H < -D 90 0C 0 -2,-0.4 3,-2.4 20,-0.2 2,-0.6 -0.934 47.5 -49.3-122.9 131.9 4.3 -9.5 -9.9 71 71 A N T 3 S+ 0 0 34 18,-2.8 158,-0.3 -2,-0.4 -2,-0.0 -0.247 135.4 25.7 58.8-101.3 7.1 -10.3 -12.4 72 72 A E T 3 S+ 0 0 30 -2,-0.6 151,-1.2 150,-0.1 2,-0.4 0.781 113.4 82.3 -63.7 -27.9 6.9 -7.8 -15.2 73 73 A E E < +G 222 0D 15 -3,-2.4 149,-0.2 149,-0.2 18,-0.2 -0.711 51.7 176.4 -82.5 132.1 5.2 -5.4 -12.7 74 74 A V E - 0 0 5 147,-2.9 2,-0.3 -2,-0.4 -5,-0.2 0.744 63.1 -3.9-100.1 -38.4 7.6 -3.5 -10.4 75 75 A A E S+G 221 0D 5 146,-1.3 146,-2.8 -7,-0.1 -1,-0.3 -0.990 112.1 30.2-157.5 157.4 5.2 -1.2 -8.5 76 76 A H + 0 0 74 -2,-0.3 2,-0.1 144,-0.2 -7,-0.1 0.649 67.7 170.7 63.7 24.5 1.6 -0.2 -8.1 77 77 A G - 0 0 0 14,-0.1 -9,-1.9 144,-0.1 -1,-0.2 -0.347 32.6-124.3 -67.3 142.8 0.1 -3.5 -9.2 78 78 A I - 0 0 40 -11,-0.2 -11,-0.1 -2,-0.1 -41,-0.1 -0.759 22.7-118.5 -92.0 119.7 -3.6 -3.9 -8.7 79 79 A P + 0 0 10 0, 0.0 2,-0.2 0, 0.0 -42,-0.1 -0.346 57.5 139.0 -58.4 138.2 -4.7 -6.9 -6.6 80 80 A S - 0 0 50 2,-0.2 -43,-2.4 -16,-0.0 -42,-0.3 -0.798 68.1 -58.3-160.5-170.5 -6.9 -9.1 -8.9 81 81 A K S S+ 0 0 184 -2,-0.2 2,-0.1 -45,-0.2 0, 0.0 0.510 83.9 129.6 -71.0 -2.3 -7.7 -12.6 -10.0 82 82 A R - 0 0 66 -47,-0.1 -46,-2.2 1,-0.1 2,-0.4 -0.357 54.4-137.9 -55.2 130.3 -4.1 -13.1 -11.0 83 83 A V B -B 35 0B 65 -48,-0.2 -48,-0.3 -47,-0.1 2,-0.2 -0.762 11.4-121.3 -95.6 137.4 -2.8 -16.3 -9.4 84 84 A I - 0 0 1 -50,-3.2 -51,-2.8 -2,-0.4 2,-0.3 -0.506 32.7-163.9 -71.6 142.3 0.6 -16.6 -7.9 85 85 A R > - 0 0 172 -53,-0.2 3,-2.2 -2,-0.2 26,-0.2 -0.874 31.5 -79.3-126.2 157.9 2.9 -19.2 -9.5 86 86 A E T 3 S+ 0 0 100 -2,-0.3 26,-0.2 1,-0.3 -1,-0.1 -0.272 116.6 20.9 -53.3 130.6 6.0 -21.0 -8.5 87 87 A G T 3 S+ 0 0 3 24,-3.1 -1,-0.3 1,-0.3 27,-0.1 0.373 85.9 150.9 89.4 -1.5 9.1 -18.8 -9.1 88 88 A D < - 0 0 14 -3,-2.2 23,-2.8 23,-0.2 2,-0.7 -0.345 44.0-138.4 -63.0 143.9 7.2 -15.5 -9.2 89 89 A L E - E 0 110C 6 21,-0.2 -18,-2.8 19,-0.0 2,-0.4 -0.922 32.5-172.6-100.8 110.9 9.0 -12.4 -8.1 90 90 A V E -DE 70 109C 0 19,-2.6 19,-2.1 -2,-0.7 2,-0.5 -0.923 19.4-162.2-116.2 133.8 6.4 -10.6 -6.0 91 91 A N E -DE 69 108C 6 -22,-2.9 -22,-2.4 -2,-0.4 2,-0.5 -0.958 5.6-170.0-109.8 128.8 6.5 -7.1 -4.4 92 92 A I E -DE 68 107C 0 15,-2.5 15,-2.1 -2,-0.5 2,-0.5 -0.983 5.2-171.5-116.4 122.3 4.0 -6.4 -1.6 93 93 A D E -DE 67 106C 20 -26,-2.5 -26,-2.1 -2,-0.5 2,-0.5 -0.978 2.4-171.1-123.3 111.1 3.9 -2.7 -0.7 94 94 A V E + E 0 105C 0 11,-2.9 11,-2.2 -2,-0.5 2,-0.3 -0.953 12.3 162.4-112.2 120.4 1.8 -1.8 2.4 95 95 A S E + E 0 104C 5 -2,-0.5 -40,-2.3 -30,-0.3 2,-0.3 -0.991 9.6 151.2-139.1 141.8 1.1 1.8 3.4 96 96 A A E -CE 54 103C 0 7,-1.9 7,-1.9 -2,-0.3 2,-0.3 -0.973 30.2-130.3-161.5 167.3 -1.6 3.0 5.8 97 97 A L E +CE 53 102C 20 -44,-2.4 -44,-2.4 -2,-0.3 2,-0.3 -0.962 15.6 178.1-129.5 150.4 -2.7 5.7 8.2 98 98 A K E > S- E 0 101C 43 3,-2.2 3,-1.9 -2,-0.3 -83,-0.2 -0.947 76.8 -4.9-150.6 130.1 -4.0 5.6 11.8 99 99 A N T 3 S- 0 0 137 -2,-0.3 3,-0.1 -48,-0.3 -47,-0.1 0.809 131.3 -55.8 55.4 33.1 -4.9 8.7 13.9 100 100 A G T 3 S+ 0 0 38 1,-0.2 2,-0.3 -89,-0.0 -1,-0.3 0.392 114.6 109.7 87.9 -5.2 -3.5 10.9 11.2 101 101 A Y E < -E 98 0C 48 -3,-1.9 -3,-2.2 -90,-0.1 2,-0.3 -0.843 51.2-148.8-115.2 147.7 -0.0 9.3 11.0 102 102 A Y E -E 97 0C 11 69,-2.2 2,-0.3 -2,-0.3 -5,-0.2 -0.719 14.6-173.7-117.4 154.6 1.4 7.1 8.2 103 103 A A E -E 96 0C 0 -7,-1.9 -7,-1.9 -2,-0.3 2,-0.3 -0.963 5.3-167.7-139.2 160.5 3.8 4.3 7.5 104 104 A D E +E 95 0C 6 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.965 16.8 155.1-151.1 123.6 5.0 2.8 4.3 105 105 A T E +E 94 0C 0 -11,-2.2 -11,-2.9 -2,-0.3 2,-0.3 -0.988 9.9 177.2-151.1 157.2 6.9 -0.5 3.8 106 106 A G E -EF 93 233C 2 127,-1.6 127,-2.4 -2,-0.3 2,-0.3 -0.996 8.3-164.4-160.8 157.6 7.4 -3.1 1.1 107 107 A I E -EF 92 232C 34 -15,-2.1 -15,-2.5 -2,-0.3 2,-0.4 -0.977 8.6-152.9-151.2 139.5 9.3 -6.2 0.3 108 108 A S E +E 91 0C 7 123,-1.6 2,-0.3 -2,-0.3 -17,-0.2 -0.889 27.8 159.3-106.6 141.0 10.1 -8.2 -2.8 109 109 A F E -E 90 0C 21 -19,-2.1 -19,-2.6 -2,-0.4 2,-0.4 -0.970 38.6-108.5-155.0 164.0 10.6 -12.0 -2.6 110 110 A V E -E 89 0C 23 -2,-0.3 2,-0.7 -21,-0.2 -21,-0.2 -0.813 26.5-131.8-100.4 133.5 10.6 -15.1 -4.7 111 111 A V - 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