==== 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 HYDROLASE 07-APR-00 1ES2 . COMPND 2 MOLECULE: DD-TRANSPEPTIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES SP.; . AUTHOR E.FONZE,P.CHARLIER . 260 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10557.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 182 70.0 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 . 50 19.2 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 . 2 0.8 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 . 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 . 20 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 79 30.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.8 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 1 0 0 1 0 3 0 2 0 0 0 0 0 1 1 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 . 3 1 2 1 0 1 0 2 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 . 1 0 1 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 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 3 A K 0 0 157 0, 0.0 2,-0.1 0, 0.0 252,-0.1 0.000 360.0 360.0 360.0 130.2 37.3 62.9 27.1 2 4 A P - 0 0 25 0, 0.0 2,-0.4 0, 0.0 247,-0.0 -0.430 360.0-123.4 -80.9 157.3 37.9 60.0 29.5 3 5 A T - 0 0 122 -2,-0.1 2,-0.3 2,-0.0 249,-0.1 -0.831 31.8-170.2 -97.9 134.8 37.8 56.3 28.4 4 6 A I - 0 0 8 -2,-0.4 242,-0.1 2,-0.2 241,-0.0 -0.923 30.7-135.5-127.9 154.2 35.3 54.2 30.3 5 7 A A S S+ 0 0 41 -2,-0.3 -1,-0.1 240,-0.3 241,-0.1 0.795 79.1 98.5 -76.0 -28.4 34.7 50.4 30.5 6 8 A A - 0 0 0 239,-0.2 234,-0.3 1,-0.2 233,-0.2 -0.277 67.7-147.5 -59.3 144.0 30.9 50.9 30.3 7 9 A V S S+ 0 0 63 231,-1.1 2,-0.4 232,-0.8 232,-0.2 0.565 86.8 44.6 -89.5 -9.0 29.6 50.3 26.8 8 10 A G E S+A 238 0A 0 230,-1.7 230,-2.8 17,-0.1 2,-0.3 -0.999 71.1 160.2-135.7 134.0 26.9 52.9 27.4 9 11 A G E +AB 237 23A 0 14,-3.1 14,-2.0 -2,-0.4 2,-0.3 -0.996 9.3 164.7-157.0 149.2 27.4 56.3 29.0 10 12 A Y E +AB 236 22A 5 226,-1.9 226,-2.3 -2,-0.3 2,-0.3 -0.980 2.7 174.8-160.5 149.7 25.8 59.7 29.5 11 13 A A E +AB 235 21A 0 10,-1.6 9,-3.0 -2,-0.3 10,-1.7 -0.964 5.6 174.6-158.4 142.2 26.1 62.8 31.7 12 14 A M E -AB 234 19A 10 222,-2.8 222,-2.6 -2,-0.3 2,-0.8 -0.923 44.7 -93.6-143.3 167.2 24.6 66.2 31.7 13 15 A N E > -A 233 0A 25 5,-2.5 4,-2.9 -2,-0.3 5,-0.3 -0.788 37.9-149.4 -81.1 115.2 24.4 69.3 33.8 14 16 A N T 4 S+ 0 0 46 218,-2.7 -1,-0.2 -2,-0.8 219,-0.1 0.797 91.8 52.1 -60.4 -28.9 21.3 68.5 35.8 15 17 A G T 4 S+ 0 0 67 217,-0.5 -1,-0.2 1,-0.1 218,-0.1 0.897 124.3 21.6 -76.1 -39.2 20.4 72.2 36.0 16 18 A T T 4 S- 0 0 94 2,-0.1 -2,-0.2 -3,-0.1 -1,-0.1 0.616 93.1-127.0-104.6 -17.6 20.6 73.2 32.4 17 19 A G < + 0 0 41 -4,-2.9 2,-0.2 1,-0.3 -3,-0.1 0.448 56.0 152.2 82.7 0.6 20.2 69.8 30.6 18 20 A T - 0 0 83 -5,-0.3 -5,-2.5 1,-0.1 -1,-0.3 -0.449 48.2-115.8 -69.8 135.1 23.4 70.4 28.7 19 21 A T E +B 12 0A 63 -7,-0.2 -7,-0.3 -2,-0.2 3,-0.1 -0.522 36.1 170.4 -74.3 131.5 25.3 67.3 27.6 20 22 A L E + 0 0 21 -9,-3.0 2,-0.3 1,-0.4 -8,-0.2 0.650 65.7 11.5-111.9 -25.4 28.7 66.8 29.1 21 23 A Y E -B 11 0A 9 -10,-1.7 -10,-1.6 -20,-0.1 -1,-0.4 -0.978 58.3-177.3-158.2 140.4 29.5 63.3 28.0 22 24 A T E +B 10 0A 52 -2,-0.3 -12,-0.2 -12,-0.2 2,-0.2 -0.997 13.8 163.4-142.4 146.8 28.2 60.6 25.6 23 25 A K E S-B 9 0A 71 -14,-2.0 -14,-3.1 -2,-0.3 4,-0.1 -0.711 91.3 -31.8-159.4 100.7 29.1 57.0 24.7 24 26 A A S > S+ 0 0 42 -16,-0.2 3,-1.9 -2,-0.2 -14,-0.1 0.895 84.5 169.3 48.6 42.1 26.3 55.2 22.8 25 27 A A T 3 S+ 0 0 5 1,-0.3 128,-2.4 127,-0.1 129,-0.4 0.685 70.7 41.4 -58.3 -22.6 24.0 57.4 24.9 26 28 A D T 3 S+ 0 0 74 126,-0.1 2,-0.6 125,-0.1 -1,-0.3 0.127 85.7 114.7-114.3 19.1 21.0 56.4 22.9 27 29 A T < - 0 0 64 -3,-1.9 2,-0.1 -4,-0.1 123,-0.1 -0.813 67.9-122.5 -95.1 123.5 21.7 52.7 22.5 28 30 A R + 0 0 118 -2,-0.6 2,-0.3 123,-0.1 123,-0.2 -0.410 43.0 157.4 -66.1 133.0 19.1 50.4 24.3 29 31 A R B -E 150 0B 74 121,-2.6 121,-2.2 -2,-0.1 2,-0.1 -0.930 48.6 -77.5-148.1 167.4 20.6 48.0 26.8 30 32 A S - 0 0 36 -2,-0.3 119,-0.2 187,-0.3 209,-0.2 -0.456 34.2-155.3 -68.9 142.3 19.4 46.1 29.9 31 33 A T > - 0 0 1 117,-0.3 3,-1.5 1,-0.2 2,-0.1 0.723 15.1-166.7 -93.0 -25.0 19.0 48.3 33.0 32 34 A G G > - 0 0 6 110,-0.3 3,-1.0 1,-0.2 -1,-0.2 -0.486 69.9 -18.6 70.1-141.5 19.4 45.7 35.7 33 35 A S G > S+ 0 0 15 181,-0.6 3,-2.3 1,-0.2 -1,-0.2 0.532 116.6 89.4 -77.2 -7.0 18.4 47.2 39.1 34 36 A T G X S+ 0 0 0 -3,-1.5 3,-1.9 1,-0.3 4,-0.4 0.703 71.0 79.6 -63.5 -14.4 18.7 50.8 38.0 35 37 A T G X> S+ 0 0 0 -3,-1.0 4,-1.3 1,-0.3 3,-1.2 0.781 73.9 77.2 -60.8 -25.6 15.0 50.3 37.0 36 38 A K H <> S+ 0 0 0 -3,-2.3 4,-2.5 105,-0.4 -1,-0.3 0.722 78.7 70.0 -59.6 -20.5 14.3 50.8 40.7 37 39 A I H <> S+ 0 0 0 -3,-1.9 4,-2.5 1,-0.2 -1,-0.3 0.933 100.5 46.6 -62.8 -42.1 14.8 54.6 40.2 38 40 A M H <> S+ 0 0 1 -3,-1.2 4,-3.0 -4,-0.4 5,-0.2 0.901 108.9 54.7 -65.8 -39.1 11.5 54.6 38.2 39 41 A T H X S+ 0 0 0 -4,-1.3 4,-2.3 2,-0.2 -2,-0.2 0.938 110.7 45.8 -58.5 -47.1 9.8 52.5 40.8 40 42 A A H X S+ 0 0 1 -4,-2.5 4,-2.9 1,-0.2 5,-0.2 0.947 113.1 50.4 -60.0 -49.1 10.8 55.1 43.5 41 43 A K H X S+ 0 0 41 -4,-2.5 4,-1.0 1,-0.2 -2,-0.2 0.905 111.2 47.3 -56.9 -46.4 9.7 57.9 41.2 42 44 A V H < S+ 0 0 7 -4,-3.0 3,-0.4 2,-0.2 4,-0.3 0.911 113.2 49.1 -64.3 -42.6 6.3 56.4 40.5 43 45 A V H >< S+ 0 0 0 -4,-2.3 3,-1.9 -5,-0.2 -2,-0.2 0.961 111.1 48.7 -60.3 -52.9 5.7 55.7 44.1 44 46 A L H 3< S+ 0 0 13 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.645 110.2 53.1 -64.2 -15.9 6.7 59.2 45.2 45 47 A A T 3< S+ 0 0 72 -4,-1.0 -1,-0.3 -3,-0.4 -2,-0.2 0.414 79.3 122.7 -99.4 0.3 4.4 60.7 42.5 46 48 A Q X - 0 0 31 -3,-1.9 3,-1.7 -4,-0.3 -3,-0.0 -0.416 62.0-139.9 -66.2 133.1 1.3 58.8 43.6 47 49 A S T 3 S+ 0 0 127 1,-0.3 -1,-0.1 -2,-0.1 -3,-0.0 0.923 105.6 47.5 -57.5 -44.0 -1.6 61.1 44.5 48 50 A N T 3 S+ 0 0 104 58,-0.1 2,-0.3 2,-0.0 -1,-0.3 -0.019 83.7 150.4 -88.8 31.3 -2.4 58.8 47.5 49 51 A L < + 0 0 51 -3,-1.7 2,-0.4 -5,-0.1 3,-0.1 -0.493 17.1 172.8 -69.6 126.7 1.2 58.7 48.6 50 52 A N > - 0 0 81 -2,-0.3 3,-1.7 1,-0.1 33,-0.4 -0.898 17.6-166.3-136.5 102.6 1.6 58.3 52.4 51 53 A L T 3 S+ 0 0 27 -2,-0.4 33,-2.1 1,-0.3 34,-0.3 0.748 92.4 53.1 -60.5 -24.9 5.1 57.8 53.5 52 54 A D T 3 S+ 0 0 104 31,-0.2 -1,-0.3 30,-0.2 2,-0.0 0.529 80.7 120.2 -89.1 -5.6 3.9 56.7 56.9 53 55 A A < - 0 0 16 -3,-1.7 30,-1.9 29,-0.1 2,-0.3 -0.365 60.2-135.1 -60.3 134.6 1.6 54.1 55.4 54 56 A K E -F 82 0C 119 28,-0.2 2,-0.4 29,-0.1 28,-0.3 -0.746 16.4-163.5 -97.2 143.5 2.5 50.6 56.7 55 57 A V E -F 81 0C 11 26,-3.0 26,-3.2 -2,-0.3 2,-0.5 -0.969 19.5-128.0-124.9 136.2 2.7 47.6 54.4 56 58 A T E -F 80 0C 63 -2,-0.4 2,-0.6 24,-0.2 24,-0.2 -0.760 29.0-119.5 -86.6 125.8 2.7 44.0 55.7 57 59 A I - 0 0 2 22,-3.1 21,-2.4 -2,-0.5 2,-0.2 -0.516 33.2-145.3 -67.8 114.7 5.6 42.0 54.3 58 60 A Q >> - 0 0 67 -2,-0.6 4,-1.1 19,-0.2 3,-0.8 -0.484 19.5-122.4 -82.5 152.3 4.1 39.2 52.3 59 61 A K H 3> S+ 0 0 119 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.850 112.2 66.1 -58.3 -33.7 5.6 35.7 52.0 60 62 A A H 3> S+ 0 0 23 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.853 94.8 54.5 -57.6 -39.8 5.6 36.4 48.3 61 63 A Y H <> S+ 0 0 5 -3,-0.8 4,-1.6 2,-0.2 -1,-0.2 0.914 112.8 43.6 -62.9 -41.2 8.1 39.2 48.6 62 64 A S H X S+ 0 0 35 -4,-1.1 4,-1.6 2,-0.2 -2,-0.2 0.926 113.7 48.8 -68.6 -47.6 10.5 36.8 50.4 63 65 A D H X S+ 0 0 80 -4,-2.8 4,-2.8 1,-0.2 -2,-0.2 0.846 108.5 58.4 -61.2 -33.9 9.9 33.8 48.0 64 66 A Y H X S+ 0 0 43 -4,-2.2 4,-2.0 -5,-0.2 6,-0.3 0.925 103.1 48.0 -63.4 -49.8 10.5 36.2 45.1 65 67 A V H <>S+ 0 0 5 -4,-1.6 5,-2.2 1,-0.2 4,-0.4 0.889 115.4 48.2 -61.4 -35.7 14.0 37.3 46.0 66 68 A V H ><5S+ 0 0 100 -4,-1.6 3,-1.1 3,-0.2 -2,-0.2 0.949 110.5 48.9 -67.7 -50.5 14.9 33.6 46.5 67 69 A A H 3<5S+ 0 0 82 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.792 121.5 36.3 -60.5 -31.3 13.4 32.4 43.2 68 70 A N T 3<5S- 0 0 67 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.321 101.5-125.7-106.6 8.0 15.2 35.2 41.3 69 71 A N T < 5 + 0 0 160 -3,-1.1 2,-0.2 -4,-0.4 -3,-0.2 0.905 55.2 169.3 48.7 41.3 18.4 35.3 43.3 70 72 A A < - 0 0 15 -5,-2.2 -1,-0.2 -6,-0.3 -2,-0.1 -0.571 41.2-103.9 -89.8 149.7 17.6 39.0 43.7 71 73 A S - 0 0 62 -2,-0.2 25,-2.1 -3,-0.1 26,-0.3 -0.331 49.5-166.1 -63.1 153.0 19.3 41.5 46.0 72 74 A Q - 0 0 62 23,-0.3 23,-0.2 21,-0.2 -1,-0.0 -0.951 42.6-137.2-147.4 164.7 17.2 42.3 49.0 73 75 A A - 0 0 0 -2,-0.3 22,-0.1 121,-0.1 21,-0.1 0.343 55.5-119.9 -97.2 0.4 16.6 44.5 52.0 74 76 A H - 0 0 106 1,-0.2 118,-0.1 19,-0.1 2,-0.1 0.848 42.1-174.9 61.9 37.4 15.9 41.4 54.1 75 77 A L - 0 0 10 1,-0.1 2,-0.5 -14,-0.1 -1,-0.2 -0.421 22.1-125.3 -64.4 135.1 12.4 42.4 54.9 76 78 A I > - 0 0 62 -2,-0.1 3,-2.0 1,-0.1 -19,-0.3 -0.724 20.4-113.0 -91.7 127.8 10.8 40.0 57.4 77 79 A V T 3 S+ 0 0 52 -2,-0.5 107,-0.2 1,-0.3 -19,-0.2 -0.325 103.6 24.7 -57.2 131.6 7.5 38.3 56.5 78 80 A G T 3 S+ 0 0 2 -21,-2.4 -1,-0.3 1,-0.4 -20,-0.1 -0.050 93.2 123.0 102.3 -30.7 4.8 39.5 58.9 79 81 A D < - 0 0 2 -3,-2.0 -22,-3.1 -23,-0.1 2,-0.6 -0.230 61.3-130.5 -63.9 152.9 6.5 42.8 59.7 80 82 A K E -FG 56 182C 64 102,-2.9 102,-1.9 -24,-0.2 2,-0.4 -0.949 31.6-177.4-107.7 117.5 4.7 46.0 59.1 81 83 A V E -F 55 0C 0 -26,-3.2 -26,-3.0 -2,-0.6 100,-0.1 -0.956 21.1-124.5-122.0 137.3 7.0 48.4 57.2 82 84 A T E > -F 54 0C 21 -2,-0.4 4,-2.4 -28,-0.3 -28,-0.2 -0.340 23.7-114.8 -76.8 159.7 6.3 51.9 56.1 83 85 A V H > S+ 0 0 0 -30,-1.9 4,-2.4 -33,-0.4 5,-0.2 0.902 118.9 54.1 -59.7 -40.3 6.5 53.2 52.6 84 86 A R H > S+ 0 0 79 -33,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.945 109.0 47.1 -58.8 -49.5 9.4 55.4 53.6 85 87 A Q H > S+ 0 0 18 -34,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.884 111.0 52.8 -59.7 -38.7 11.3 52.4 55.0 86 88 A L H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.871 106.1 53.3 -65.0 -36.7 10.5 50.5 51.8 87 89 A L H X S+ 0 0 4 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.884 111.3 45.8 -66.6 -36.5 11.9 53.4 49.8 88 90 A Y H X S+ 0 0 26 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.888 113.2 49.7 -71.8 -37.2 15.1 53.2 51.8 89 91 A G H < S+ 0 0 0 -4,-2.4 6,-1.9 -5,-0.2 9,-0.2 0.805 113.1 48.6 -69.5 -28.3 15.1 49.4 51.4 90 92 A L H < S+ 0 0 0 -4,-2.1 -2,-0.2 4,-0.2 5,-0.2 0.938 120.3 33.0 -74.8 -48.7 14.6 49.8 47.7 91 93 A M H < S+ 0 0 1 -4,-2.3 106,-0.3 3,-0.2 121,-0.3 0.715 121.3 40.5 -85.5 -25.3 17.3 52.4 47.1 92 94 A L S < S+ 0 0 0 -4,-2.4 105,-2.0 -5,-0.2 -3,-0.2 0.945 125.4 23.2 -91.6 -66.2 20.1 51.6 49.6 93 95 A P S S- 0 0 18 0, 0.0 3,-0.2 0, 0.0 -21,-0.2 0.188 108.3-110.1 -86.1 19.4 20.6 47.8 49.8 94 96 A A - 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