==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 10-MAY-04 1WCZ . COMPND 2 MOLECULE: GLUTAMYL ENDOPEPTIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR K.YAMADA,M.OHTA,T.HASEGAWA,K.TORII,M.MURAKAMI,K.KOUYAMA . 215 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9389.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 148 68.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 2.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 74 34.4 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 . 5 2.3 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-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 . 17 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 13 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 . 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 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 . 3 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 . 1 3 1 3 3 2 1 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 1 0 0 1 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 V 0 0 41 0, 0.0 163,-1.8 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 161.9 3.9 28.5 -7.1 2 2 A I - 0 0 82 161,-0.2 188,-0.6 4,-0.0 4,-0.1 -0.653 360.0-175.8 -80.5 131.0 2.2 27.2 -10.3 3 3 A L - 0 0 13 2,-0.4 160,-0.1 -2,-0.4 158,-0.0 -0.750 45.0 -94.3-121.4 168.1 4.4 27.5 -13.4 4 4 A P S S+ 0 0 137 0, 0.0 2,-1.0 0, 0.0 158,-0.1 0.878 119.2 66.0 -50.3 -39.4 3.8 26.8 -17.1 5 5 A N B +a 162 0A 46 156,-0.5 158,-0.6 1,-0.1 2,-0.5 -0.770 64.4 161.9 -86.4 102.8 5.2 23.4 -16.4 6 6 A N + 0 0 76 -2,-1.0 2,-0.6 156,-0.2 156,-0.1 -0.780 7.6 152.3-123.8 83.3 2.6 21.9 -14.1 7 7 A D E +B 147 0B 51 140,-0.5 140,-3.2 -2,-0.5 2,-0.4 -0.838 14.3 154.7-120.7 91.9 3.2 18.1 -14.3 8 8 A R E -B 146 0B 31 -2,-0.6 2,-0.4 138,-0.2 138,-0.2 -0.955 21.2-169.2-126.4 138.9 2.1 16.4 -11.1 9 9 A H E -B 145 0B 89 136,-2.4 136,-3.3 -2,-0.4 2,-0.3 -0.974 25.4-120.2-125.5 137.5 1.0 12.9 -10.3 10 10 A Q E -B 144 0B 76 -2,-0.4 2,-0.7 134,-0.2 134,-0.3 -0.558 18.5-143.2 -76.9 138.0 -0.6 11.6 -7.1 11 11 A I E +B 143 0B 17 132,-3.2 132,-0.6 -2,-0.3 3,-0.2 -0.907 26.8 168.0-100.6 113.7 1.3 8.9 -5.2 12 12 A T S S+ 0 0 95 -2,-0.7 2,-1.6 1,-0.2 -1,-0.2 0.839 71.9 58.5 -93.6 -41.3 -1.2 6.4 -3.8 13 13 A D > + 0 0 88 1,-0.2 3,-1.1 2,-0.1 -1,-0.2 -0.647 70.0 168.2 -88.6 80.6 1.1 3.6 -2.8 14 14 A T T 3 + 0 0 1 -2,-1.6 8,-0.2 1,-0.2 -1,-0.2 0.613 66.5 56.5 -71.0 -18.0 3.2 6.0 -0.5 15 15 A T T 3 S+ 0 0 74 -3,-0.1 2,-0.4 4,-0.1 -1,-0.2 0.275 87.7 98.4-100.6 11.7 5.2 3.2 1.2 16 16 A N S X S- 0 0 94 -3,-1.1 3,-1.4 4,-0.0 4,-0.2 -0.785 88.9 -27.0-102.0 141.0 6.6 1.8 -2.0 17 17 A G G > S- 0 0 61 -2,-0.4 3,-0.8 1,-0.2 -3,-0.0 -0.229 122.7 -18.2 60.6-142.0 10.0 2.6 -3.4 18 18 A H G 3 S+ 0 0 35 1,-0.2 -1,-0.2 2,-0.1 4,-0.2 0.472 120.1 82.0 -80.0 -1.2 11.6 6.0 -2.5 19 19 A Y G X + 0 0 37 -3,-1.4 3,-1.8 1,-0.2 49,-0.3 0.718 65.4 86.9 -76.6 -22.9 8.3 7.5 -1.4 20 20 A A T < S+ 0 0 11 -3,-0.8 48,-0.2 1,-0.3 -1,-0.2 0.864 88.6 46.7 -49.0 -48.5 8.2 6.1 2.1 21 21 A P T 3 S+ 0 0 5 0, 0.0 19,-1.9 0, 0.0 2,-0.3 0.588 82.3 110.6 -75.9 -6.3 10.2 8.8 3.8 22 22 A V E < -K 39 0C 0 -3,-1.8 46,-2.8 -8,-0.2 2,-0.4 -0.546 60.2-157.9 -67.1 130.1 8.3 11.7 2.2 23 23 A T E -KL 38 67C 0 15,-3.0 15,-1.4 -2,-0.3 2,-0.4 -0.900 22.9-140.5-127.5 145.1 6.3 13.2 5.0 24 24 A Y E -KL 37 66C 8 42,-1.8 42,-3.4 -2,-0.4 2,-0.4 -0.832 25.3-159.4 -97.7 132.0 3.2 15.2 5.7 25 25 A I E -KL 36 65C 0 11,-2.6 11,-2.3 -2,-0.4 2,-0.4 -0.926 13.0-174.3-119.3 139.1 3.5 17.8 8.5 26 26 A Q E -KL 35 64C 41 38,-2.4 38,-2.5 -2,-0.4 2,-0.6 -0.998 6.6-164.1-128.3 125.3 0.9 19.6 10.5 27 27 A V E -KL 34 63C 0 7,-3.2 7,-3.1 -2,-0.4 2,-0.8 -0.950 12.6-147.1-112.4 116.9 1.8 22.4 13.0 28 28 A E E K 33 0C 95 34,-2.4 5,-0.2 -2,-0.6 -2,-0.0 -0.748 360.0 360.0 -87.2 110.4 -0.9 23.2 15.5 29 29 A A 0 0 43 3,-2.5 3,-0.1 -2,-0.8 27,-0.1 -0.301 360.0 360.0-108.8 360.0 -0.9 26.9 16.3 30 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 31 31 A T 0 0 165 0, 0.0 2,-0.2 0, 0.0 -3,-0.0 0.000 360.0 360.0 360.0 -48.1 -4.4 30.1 15.8 32 32 A G - 0 0 40 -3,-0.1 -3,-2.5 2,-0.0 2,-0.6 -0.837 360.0 -74.8 155.7 170.1 -4.8 27.6 13.0 33 33 A T E -K 28 0C 71 -2,-0.2 2,-0.5 -5,-0.2 -5,-0.2 -0.852 37.3-153.9-100.4 120.3 -3.2 24.5 11.5 34 34 A F E -K 27 0C 71 -7,-3.1 -7,-3.2 -2,-0.6 2,-0.4 -0.784 12.4-154.2 -91.4 129.1 -0.1 25.1 9.4 35 35 A I E +K 26 0C 63 -2,-0.5 2,-0.3 -9,-0.2 134,-0.2 -0.827 26.4 138.9-108.6 145.4 0.5 22.4 6.7 36 36 A A E -K 25 0C 0 -11,-2.3 -11,-2.6 -2,-0.4 2,-0.2 -0.878 35.6-117.8-159.9-171.3 3.9 21.4 5.2 37 37 A S E +K 24 0C 0 132,-3.0 12,-0.3 -2,-0.3 2,-0.3 -0.779 26.3 163.0-133.7 177.8 6.1 18.6 4.0 38 38 A G E -K 23 0C 0 -15,-1.4 -15,-3.0 -2,-0.2 2,-0.4 -0.968 28.6-114.1-177.8-178.6 9.4 17.1 4.8 39 39 A V E -KM 22 47C 0 8,-1.8 8,-2.7 -2,-0.3 2,-0.4 -0.991 20.9-126.4-143.9 132.2 11.6 14.0 4.5 40 40 A V E + M 0 46C 0 -19,-1.9 75,-2.7 -2,-0.4 6,-0.3 -0.625 32.2 166.7 -75.4 128.3 12.9 11.5 7.0 41 41 A V + 0 0 2 4,-2.1 173,-0.5 -2,-0.4 2,-0.3 0.323 58.9 19.8-126.3 4.3 16.7 11.2 6.8 42 42 A G S S- 0 0 1 3,-1.4 -1,-0.1 171,-0.1 171,-0.1 -0.970 91.8 -80.4-161.7 173.5 17.5 9.3 10.0 43 43 A K S S+ 0 0 90 -2,-0.3 66,-3.4 1,-0.2 67,-0.3 0.850 129.7 5.0 -47.9 -42.5 16.2 7.1 12.8 44 44 A D S S+ 0 0 25 64,-0.2 55,-2.6 65,-0.2 2,-0.3 0.268 115.5 95.3-127.5 9.7 14.8 10.1 14.5 45 45 A T E + N 0 98C 14 53,-0.2 -4,-2.1 -3,-0.0 -3,-1.4 -0.825 38.8 176.1-118.9 149.7 15.4 13.0 12.1 46 46 A L E -MN 40 97C 0 51,-2.0 51,-2.8 -2,-0.3 2,-0.4 -0.973 20.5-136.4-141.8 147.4 13.5 14.8 9.4 47 47 A L E +MN 39 96C 0 -8,-2.7 -8,-1.8 -2,-0.3 2,-0.2 -0.882 36.6 136.0-110.0 143.7 14.3 17.8 7.2 48 48 A T E - N 0 95C 0 47,-1.9 47,-2.5 -2,-0.4 122,-0.2 -0.825 51.9 -58.9-158.6-164.5 12.0 20.7 6.3 49 49 A N > - 0 0 0 -12,-0.3 4,-1.8 45,-0.3 45,-0.3 -0.533 33.3-123.8 -92.5 160.0 12.2 24.5 6.1 50 50 A K H > S+ 0 0 42 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.889 111.8 55.9 -62.0 -41.5 13.0 27.1 8.8 51 51 A H H 4 S+ 0 0 64 2,-0.2 4,-0.5 1,-0.2 -1,-0.2 0.775 105.2 49.5 -69.0 -24.3 9.6 28.8 8.1 52 52 A V H >4 S+ 0 0 0 -3,-0.3 3,-1.0 2,-0.2 4,-0.3 0.919 112.7 48.5 -77.6 -38.7 7.6 25.6 8.8 53 53 A V H >< S+ 0 0 5 -4,-1.8 3,-1.3 1,-0.3 5,-0.3 0.832 105.5 58.7 -64.8 -32.0 9.5 25.1 12.0 54 54 A D G >< S+ 0 0 73 -4,-2.1 3,-1.4 1,-0.3 -1,-0.3 0.677 89.4 73.9 -71.8 -16.5 8.9 28.8 12.9 55 55 A A G < S+ 0 0 15 -3,-1.0 -1,-0.3 -4,-0.5 -2,-0.2 0.657 84.6 66.4 -69.6 -15.5 5.2 28.1 12.7 56 56 A T G X S- 0 0 11 -3,-1.3 3,-1.1 -4,-0.3 -1,-0.3 0.605 98.4-141.0 -79.5 -12.4 5.6 26.2 16.0 57 57 A H T < S- 0 0 146 -3,-1.4 -3,-0.1 1,-0.3 -2,-0.1 0.925 71.8 -41.2 49.6 53.3 6.4 29.5 17.7 58 58 A G T 3 S+ 0 0 76 -5,-0.3 -1,-0.3 1,-0.1 -4,-0.1 0.498 118.9 106.4 79.5 4.1 9.1 28.0 19.9 59 59 A D X - 0 0 78 -3,-1.1 3,-2.0 1,-0.1 4,-0.2 -0.839 44.1-174.7-122.0 95.6 7.1 24.9 20.8 60 60 A P G > S+ 0 0 33 0, 0.0 3,-2.4 0, 0.0 22,-0.6 0.823 81.7 69.6 -54.6 -34.9 8.4 21.7 19.0 61 61 A H G 3 S+ 0 0 121 1,-0.3 -33,-0.1 22,-0.2 22,-0.1 0.686 86.6 69.3 -59.5 -17.7 5.5 19.6 20.4 62 62 A A G < S+ 0 0 13 -3,-2.0 -34,-2.4 -6,-0.1 2,-0.6 0.645 85.5 83.7 -74.7 -14.2 3.2 21.6 18.1 63 63 A L E < -L 27 0C 0 -3,-2.4 19,-2.5 -36,-0.2 2,-0.4 -0.816 57.3-178.7 -99.0 122.6 4.8 19.9 15.1 64 64 A K E -LO 26 81C 85 -38,-2.5 -38,-2.4 -2,-0.6 2,-0.4 -0.963 9.9-156.9-119.5 135.9 3.5 16.5 14.0 65 65 A A E -LO 25 80C 0 15,-2.8 15,-2.0 -2,-0.4 -40,-0.2 -0.925 6.3-168.6-114.5 135.0 4.9 14.4 11.2 66 66 A F E > -L 24 0C 20 -42,-3.4 -42,-1.8 -2,-0.4 3,-1.5 -0.819 17.8-149.2-122.4 89.7 3.0 11.7 9.3 67 67 A P E 3 S+L 23 0C 0 0, 0.0 10,-0.6 0, 0.0 -44,-0.2 -0.315 77.8 1.2 -60.9 136.7 5.4 9.7 7.1 68 68 A S T 3 S- 0 0 0 -46,-2.8 -54,-0.2 -49,-0.3 -45,-0.1 0.705 83.8-177.5 60.9 23.2 3.9 8.3 3.9 69 69 A A < - 0 0 0 -3,-1.5 6,-0.2 -47,-0.2 74,-0.2 -0.250 12.4-167.1 -51.7 138.3 0.4 9.8 4.6 70 70 A I - 0 0 38 4,-2.6 73,-0.4 1,-0.4 2,-0.3 0.786 58.7 -36.7-100.1 -38.3 -2.0 8.8 1.8 71 71 A N B > S-Q 74 0D 62 3,-0.8 3,-2.4 71,-0.2 -1,-0.4 -0.949 95.4 -29.6-172.4 178.3 -4.9 11.1 2.5 72 72 A Q T 3 S- 0 0 111 68,-1.1 69,-0.1 1,-0.3 68,-0.0 -0.120 129.3 -6.0 -49.0 127.9 -6.8 12.7 5.3 73 73 A D T 3 S+ 0 0 131 1,-0.1 2,-0.3 -3,-0.0 -1,-0.3 0.757 107.1 113.1 57.0 27.1 -6.8 10.6 8.5 74 74 A N B < +Q 71 0D 64 -3,-2.4 -4,-2.6 67,-0.1 -3,-0.8 -0.663 32.1 153.4-128.7 75.2 -5.0 7.9 6.5 75 75 A Y > - 0 0 46 -2,-0.3 3,-2.1 -6,-0.2 -6,-0.2 -0.856 26.2-167.0-110.5 96.6 -1.5 7.6 8.0 76 76 A P T 3 S+ 0 0 62 0, 0.0 -1,-0.1 0, 0.0 -8,-0.1 0.699 93.8 33.6 -55.4 -23.5 -0.1 4.1 7.4 77 77 A N T 3 S- 0 0 34 -10,-0.6 34,-0.1 1,-0.4 -9,-0.1 0.226 107.1-134.3-115.9 10.5 2.7 4.8 9.9 78 78 A G < - 0 0 30 -3,-2.1 -1,-0.4 -12,-0.1 2,-0.3 -0.234 37.3 -62.4 65.3-160.2 0.7 7.1 12.2 79 79 A G - 0 0 30 -13,-0.2 2,-0.3 -3,-0.1 -13,-0.2 -0.795 35.4-149.2-123.8 166.4 2.3 10.3 13.4 80 80 A F E -O 65 0C 1 -15,-2.0 -15,-2.8 -2,-0.3 2,-0.4 -0.986 13.9-135.1-134.7 143.7 5.2 11.5 15.4 81 81 A T E -O 64 0C 39 -2,-0.3 19,-1.9 19,-0.3 -17,-0.2 -0.847 25.3-118.9-103.1 132.9 5.7 14.6 17.6 82 82 A A E +P 99 0C 0 -19,-2.5 17,-0.3 -22,-0.6 -19,-0.1 -0.291 28.2 177.2 -66.4 150.7 8.8 16.7 17.4 83 83 A E E + 0 0 82 15,-3.0 2,-0.3 1,-0.4 16,-0.2 0.554 66.4 20.7-125.2 -24.1 11.0 17.1 20.5 84 84 A Q E -P 98 0C 93 14,-1.7 14,-3.4 -24,-0.1 2,-0.4 -0.983 58.7-161.8-153.6 138.6 13.9 19.2 19.2 85 85 A I E -P 97 0C 42 -2,-0.3 2,-0.5 12,-0.2 12,-0.2 -0.968 3.8-173.8-125.5 133.3 14.6 21.5 16.3 86 86 A T E -P 96 0C 38 10,-2.8 10,-3.2 -2,-0.4 2,-0.2 -0.952 15.6-152.0-126.5 111.8 17.9 22.7 14.9 87 87 A K E -P 95 0C 106 -2,-0.5 8,-0.3 8,-0.3 2,-0.1 -0.499 30.3 -98.5 -81.0 149.1 17.8 25.4 12.2 88 88 A Y - 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