==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 16-APR-13 4K73 . COMPND 2 MOLECULE: L,D-TRANSPEPTIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE (S . 221 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11027.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 157 71.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 6.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 66 29.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 1.4 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 . 31 14.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 17 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 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 PARALLEL BRIDGES PER LADDER . 1 1 2 4 0 3 0 1 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 2 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 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 33 A S 0 0 154 0, 0.0 3,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 118.5 18.7 6.3 10.4 2 34 A Y > + 0 0 198 3,-0.1 3,-1.7 1,-0.0 26,-0.1 0.055 360.0 126.1-144.2 26.1 15.3 7.3 9.0 3 35 A G T 3 S+ 0 0 51 1,-0.3 26,-0.3 25,-0.1 -1,-0.0 0.772 83.2 47.9 -57.8 -28.6 15.6 7.3 5.2 4 36 A F T 3 S+ 0 0 70 24,-0.1 -1,-0.3 23,-0.1 27,-0.0 0.286 77.9 144.1-100.1 16.7 12.6 4.9 5.1 5 37 A A < - 0 0 40 -3,-1.7 23,-2.7 1,-0.1 2,-0.5 -0.291 44.8-138.1 -54.8 131.0 10.4 7.0 7.4 6 38 A V E -A 27 0A 50 21,-0.3 21,-0.3 1,-0.2 3,-0.1 -0.847 20.1-174.6 -97.8 122.2 6.8 6.7 6.3 7 39 A A E - 0 0 64 19,-2.3 2,-0.3 -2,-0.5 20,-0.2 0.912 66.5 -10.9 -80.6 -47.9 4.8 10.0 6.4 8 40 A S E -A 26 0A 61 18,-1.7 18,-3.0 2,-0.0 2,-0.3 -0.985 52.1-148.8-155.2 162.7 1.4 8.5 5.4 9 41 A V E -A 25 0A 22 -2,-0.3 16,-0.2 16,-0.2 4,-0.2 -0.975 24.1-117.4-134.1 141.2 -0.5 5.5 4.0 10 42 A L E S+A 24 0A 74 14,-1.9 14,-2.4 -2,-0.3 2,-0.1 -0.948 91.3 55.7-117.2 146.6 -3.7 5.1 1.9 11 43 A P S S- 0 0 1 0, 0.0 3,-0.1 0, 0.0 77,-0.1 0.493 92.6-135.5 -64.0 148.4 -6.2 3.9 2.5 12 44 A T > - 0 0 68 1,-0.2 3,-2.6 -2,-0.1 2,-0.2 -0.257 38.6 -69.6 -67.0 162.2 -6.6 6.1 5.5 13 45 A R T 3 S- 0 0 78 1,-0.3 76,-0.2 -4,-0.2 -1,-0.2 -0.302 121.7 -0.6 -58.6 120.8 -7.8 4.7 8.8 14 46 A G T 3 S+ 0 0 36 74,-2.1 -1,-0.3 1,-0.2 75,-0.2 0.526 92.1 155.1 76.2 4.9 -11.5 3.9 8.4 15 47 A Q < - 0 0 59 -3,-2.6 75,-3.2 73,-0.4 2,-0.6 -0.372 42.5-131.7 -64.8 146.7 -11.7 5.0 4.8 16 48 A V E +d 90 0B 84 73,-0.2 2,-0.3 75,-0.1 75,-0.2 -0.902 40.4 168.0-100.2 116.9 -14.4 3.3 2.6 17 49 A V E -d 91 0B 0 73,-2.3 75,-1.8 -2,-0.6 199,-0.2 -0.873 36.6 -96.1-131.3 161.5 -12.8 2.2 -0.6 18 50 A G > - 0 0 0 197,-2.5 3,-1.7 -2,-0.3 199,-0.2 -0.278 49.6 -95.3 -74.0 166.2 -13.5 0.0 -3.7 19 51 A V T 3 S+ 0 0 0 74,-0.4 53,-2.9 1,-0.3 198,-0.2 0.429 118.5 45.9 -77.8 1.6 -12.3 -3.6 -3.9 20 52 A A T 3 S+ 0 0 10 196,-2.0 -1,-0.3 51,-0.2 197,-0.2 0.141 75.0 148.9-120.5 20.7 -9.1 -3.1 -5.7 21 53 A H < - 0 0 13 -3,-1.7 51,-0.1 194,-0.1 -4,-0.1 -0.328 42.1-133.5 -61.8 127.3 -7.8 -0.1 -3.8 22 54 A P - 0 0 11 0, 0.0 2,-0.7 0, 0.0 45,-0.2 -0.296 15.7-113.8 -72.8 167.3 -3.9 -0.2 -3.7 23 55 A V E - B 0 66A 0 43,-2.8 43,-3.1 -14,-0.1 2,-0.6 -0.902 37.2-161.5 -99.4 115.3 -1.9 0.4 -0.4 24 56 A V E -AB 10 65A 17 -14,-2.4 -14,-1.9 -2,-0.7 2,-0.5 -0.891 5.6-164.9-109.6 119.9 -0.1 3.6 -1.1 25 57 A V E -AB 9 64A 0 39,-3.4 39,-2.3 -2,-0.6 2,-0.5 -0.900 1.2-163.1-112.9 123.8 2.9 4.5 1.0 26 58 A T E -AB 8 63A 41 -18,-3.0 -19,-2.3 -2,-0.5 -18,-1.7 -0.938 12.3-145.8-111.7 123.3 4.3 8.0 1.1 27 59 A F E -A 6 0A 4 35,-2.9 -21,-0.3 -2,-0.5 -22,-0.1 -0.563 18.1-126.3 -88.4 149.0 7.8 8.5 2.4 28 60 A S S S+ 0 0 82 -23,-2.7 -22,-0.1 -2,-0.2 -1,-0.1 0.778 95.9 18.9 -60.2 -34.1 9.0 11.5 4.4 29 61 A A S S- 0 0 48 -24,-0.5 -1,-0.1 -26,-0.3 -22,-0.1 -0.980 95.7 -86.5-139.0 154.9 11.9 12.0 1.9 30 62 A P - 0 0 78 0, 0.0 2,-0.9 0, 0.0 32,-0.3 -0.286 24.3-146.6 -57.9 136.1 12.7 10.8 -1.7 31 63 A I + 0 0 9 30,-2.9 32,-0.1 1,-0.1 6,-0.1 -0.878 28.9 169.0-102.4 90.5 14.4 7.5 -2.0 32 64 A T + 0 0 103 -2,-0.9 -1,-0.1 1,-0.1 3,-0.1 0.716 51.1 85.1 -79.9 -24.0 16.4 8.5 -5.1 33 65 A N >> - 0 0 72 1,-0.2 3,-1.2 -3,-0.1 4,-0.6 -0.710 62.5-161.4 -84.9 105.8 18.6 5.3 -5.0 34 66 A P G >4 S+ 0 0 87 0, 0.0 3,-0.8 0, 0.0 4,-0.4 0.784 90.7 62.9 -57.8 -26.4 16.8 2.5 -6.9 35 67 A A G >4 S+ 0 0 75 1,-0.2 3,-0.6 2,-0.1 4,-0.4 0.852 99.5 53.8 -70.6 -26.9 19.1 0.0 -5.2 36 68 A N G <> S+ 0 0 75 -3,-1.2 4,-2.3 1,-0.2 -1,-0.2 0.585 86.4 86.6 -78.7 -9.4 17.7 1.1 -1.8 37 69 A R H S+ 0 0 115 -3,-0.6 4,-1.9 -4,-0.4 -1,-0.2 0.919 109.5 48.2 -68.8 -38.6 14.1 -3.2 -2.1 39 71 A A H > S+ 0 0 29 -4,-0.4 4,-2.2 2,-0.2 -2,-0.2 0.897 112.3 49.8 -64.7 -39.6 15.2 -2.4 1.4 40 72 A A H X S+ 0 0 0 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.933 107.8 53.4 -62.5 -45.1 12.4 0.2 1.6 41 73 A E H < S+ 0 0 33 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.869 110.1 48.0 -55.1 -40.8 9.8 -2.3 0.3 42 74 A R H >< S+ 0 0 173 -4,-1.9 3,-1.5 1,-0.2 -1,-0.2 0.893 107.9 54.7 -69.2 -37.9 10.9 -4.6 3.1 43 75 A A H 3< S+ 0 0 51 -4,-2.2 41,-0.2 1,-0.3 -2,-0.2 0.802 115.3 40.5 -62.2 -30.6 10.6 -1.8 5.7 44 76 A V T 3< S+ 0 0 3 -4,-1.8 -1,-0.3 39,-0.1 -2,-0.2 -0.020 83.7 167.4-107.1 25.4 7.0 -1.2 4.5 45 77 A E < - 0 0 95 -3,-1.5 38,-2.6 37,-0.2 2,-0.6 -0.115 32.7-129.9 -48.4 135.8 6.0 -4.8 4.1 46 78 A V E +E 82 0B 18 36,-0.2 2,-0.5 -5,-0.1 36,-0.2 -0.820 28.5 177.1-101.0 117.6 2.3 -5.1 3.7 47 79 A K E -E 81 0B 125 34,-2.6 34,-2.1 -2,-0.6 2,-0.3 -0.968 10.3-179.6-120.6 116.9 0.4 -7.6 6.0 48 80 A S E -E 80 0B 11 -2,-0.5 32,-0.2 4,-0.3 4,-0.2 -0.709 28.5-110.3-114.1 157.2 -3.4 -7.6 5.6 49 81 A T E S+E 79 0B 76 30,-2.1 30,-2.2 -2,-0.3 2,-0.2 -0.976 113.2 38.9-123.1 115.7 -6.2 -9.6 7.2 50 82 A P S S- 0 0 60 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.486 117.4-110.8 -63.2 155.1 -7.4 -11.5 5.2 51 83 A A + 0 0 77 -2,-0.2 2,-0.3 -4,-0.1 -2,-0.1 -0.299 43.2 179.9 -62.5 145.9 -4.0 -12.2 3.8 52 84 A M - 0 0 17 -4,-0.2 -4,-0.3 -6,-0.1 2,-0.2 -0.991 21.8-136.5-149.5 138.4 -3.4 -10.9 0.3 53 85 A T + 0 0 77 -2,-0.3 16,-3.0 -6,-0.1 17,-0.5 -0.595 34.7 157.8 -92.5 157.6 -0.4 -11.1 -2.1 54 86 A G E -C 68 0A 23 14,-0.3 2,-0.3 -2,-0.2 12,-0.1 -0.950 32.0-118.6-168.7 177.3 0.6 -8.0 -4.0 55 87 A K E -C 67 0A 132 12,-1.7 12,-2.9 -2,-0.3 2,-0.3 -0.999 23.1-123.1-140.8 136.7 3.4 -6.2 -5.9 56 88 A F E -C 66 0A 53 -2,-0.3 2,-0.4 10,-0.2 10,-0.2 -0.618 23.0-177.2 -84.0 140.3 5.1 -2.9 -5.4 57 89 A E E -C 65 0A 95 8,-2.6 8,-3.1 -2,-0.3 2,-0.6 -0.994 23.3-134.3-134.5 127.1 5.2 -0.2 -8.0 58 90 A W E +C 64 0A 46 -2,-0.4 6,-0.3 6,-0.2 3,-0.1 -0.736 21.9 178.8 -83.1 118.3 7.1 3.1 -7.4 59 91 A L E S- 0 0 98 4,-2.2 2,-0.3 -2,-0.6 5,-0.2 0.669 73.2 -11.2 -88.1 -27.7 5.0 6.1 -8.5 60 92 A D E > S-C 63 0A 99 3,-1.7 3,-1.2 -29,-0.0 -1,-0.3 -0.922 85.1 -87.3-158.2 176.0 7.6 8.7 -7.5 61 93 A N T 3 S+ 0 0 61 -2,-0.3 -30,-2.9 1,-0.2 -32,-0.1 0.729 131.4 36.5 -69.2 -14.8 10.9 8.6 -5.6 62 94 A D T 3 S+ 0 0 45 -32,-0.3 -35,-2.9 1,-0.1 2,-0.4 0.225 110.5 68.6-118.6 14.4 8.8 9.1 -2.4 63 95 A V E < +BC 26 60A 25 -3,-1.2 -4,-2.2 -37,-0.2 -3,-1.7 -0.979 50.8 174.1-137.5 122.7 5.7 7.1 -3.2 64 96 A V E -BC 25 58A 0 -39,-2.3 -39,-3.4 -2,-0.4 2,-0.4 -0.989 13.4-158.4-121.5 133.3 5.4 3.3 -3.6 65 97 A Q E -BC 24 57A 30 -8,-3.1 -8,-2.6 -2,-0.4 2,-0.6 -0.905 9.3-146.2-108.1 146.7 2.1 1.5 -4.1 66 98 A W E -BC 23 56A 15 -43,-3.1 -43,-2.8 -2,-0.4 -10,-0.2 -0.958 15.8-155.7-111.1 115.9 1.4 -2.1 -3.3 67 99 A V E - C 0 55A 44 -12,-2.9 -12,-1.7 -2,-0.6 -46,-0.1 -0.871 16.9-128.1 -96.8 115.7 -1.1 -3.5 -5.8 68 100 A P E - C 0 54A 13 0, 0.0 -14,-0.3 0, 0.0 4,-0.1 -0.341 6.6-139.2 -64.5 145.7 -3.1 -6.4 -4.5 69 101 A D S S+ 0 0 74 -16,-3.0 2,-0.3 2,-0.1 -15,-0.1 0.707 86.3 26.3 -77.6 -18.2 -3.1 -9.5 -6.8 70 102 A R S S- 0 0 127 -17,-0.5 2,-0.3 -51,-0.0 -18,-0.0 -0.820 97.7 -83.5-134.3 172.0 -6.8 -10.1 -6.1 71 103 A F - 0 0 97 -2,-0.3 -51,-0.2 1,-0.1 -52,-0.1 -0.611 42.5-115.8 -80.6 139.3 -9.8 -8.1 -5.1 72 104 A W - 0 0 4 -53,-2.9 2,-0.1 -2,-0.3 -1,-0.1 -0.368 44.5 -92.6 -58.8 147.9 -10.3 -7.3 -1.4 73 105 A P - 0 0 53 0, 0.0 3,-0.4 0, 0.0 -1,-0.1 -0.443 48.4-114.3 -65.2 140.8 -13.6 -8.9 -0.1 74 106 A A S S+ 0 0 27 1,-0.2 18,-0.1 -2,-0.1 3,-0.1 -0.274 89.8 18.7 -71.1 159.6 -16.5 -6.5 -0.4 75 107 A H S S+ 0 0 122 17,-2.3 2,-0.3 1,-0.2 -1,-0.2 0.873 101.9 129.1 52.7 43.3 -18.4 -5.0 2.6 76 108 A S - 0 0 38 -3,-0.4 15,-2.4 15,-0.4 2,-0.6 -0.834 65.9-124.7-130.3 159.8 -15.5 -5.8 4.9 77 109 A T E - F 0 90B 77 -2,-0.3 2,-0.6 13,-0.2 13,-0.2 -0.968 32.4-160.5-100.4 115.7 -13.2 -4.4 7.5 78 110 A V E - 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