==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 30-OCT-09 2KQ8 . COMPND 2 MOLECULE: CELL WALL HYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS THURINGIENSIS SEROVAR . AUTHOR Y.HE,J.L.MILLS,Y.WU,A.ELETSKY,H.WANG,C.CICCOSANTI, . 70 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5891.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 28 40.0 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 . 11 15.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 1.4 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 . 2 2.9 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 . 2 2.9 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 . 8 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 4 5.7 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+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 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 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 . 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 0 221 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 149.1 -7.5 19.5 3.5 2 2 A I + 0 0 164 1,-0.1 0, 0.0 0, 0.0 0, 0.0 0.642 360.0 110.5 67.6 16.7 -9.4 19.8 0.2 3 3 A G + 0 0 64 2,-0.0 2,-1.1 0, 0.0 -1,-0.1 0.324 35.8 124.1-100.1 5.9 -6.0 19.5 -1.4 4 4 A D + 0 0 84 1,-0.2 0, 0.0 2,-0.0 0, 0.0 -0.577 16.7 140.1 -70.7 99.5 -6.9 16.1 -2.8 5 5 A Y + 0 0 215 -2,-1.1 -1,-0.2 3,-0.0 2,-0.0 -0.090 24.7 147.3-131.1 30.1 -6.4 16.6 -6.5 6 6 A Y - 0 0 110 1,-0.1 3,-0.2 51,-0.1 53,-0.1 -0.333 56.6-127.2 -68.7 149.9 -4.8 13.3 -7.2 7 7 A I + 0 0 103 1,-0.2 2,-2.4 51,-0.2 52,-0.1 0.938 46.0 164.1 -60.7 -46.8 -5.4 11.6 -10.6 8 8 A N + 0 0 6 50,-1.9 52,-0.3 49,-0.1 3,-0.3 -0.395 11.4 158.4 67.5 -74.6 -6.5 8.5 -8.7 9 9 A A - 0 0 31 -2,-2.4 53,-0.4 -3,-0.2 54,-0.4 -0.141 53.5 -71.4 57.9-153.9 -8.2 6.9 -11.7 10 10 A S S S+ 0 0 70 51,-0.1 2,-0.2 52,-0.1 -1,-0.1 -0.794 80.4 108.0-143.2 98.2 -8.8 3.1 -11.7 11 11 A A S S- 0 0 51 -2,-0.3 2,-1.6 -3,-0.3 3,-0.2 -0.581 82.5 -29.7-142.1-155.4 -5.8 0.9 -12.1 12 12 A L S S+ 0 0 79 1,-0.2 15,-0.2 -2,-0.2 47,-0.1 -0.589 72.3 154.5 -71.1 90.7 -3.6 -1.5 -10.0 13 13 A N + 0 0 5 -2,-1.6 -1,-0.2 1,-0.1 14,-0.2 0.746 58.3 60.3 -98.0 -29.9 -4.3 0.4 -6.8 14 14 A V S S- 0 0 16 12,-0.9 2,-0.3 1,-0.3 13,-0.2 0.955 127.7 -37.5 -64.9 -51.4 -3.8 -2.3 -4.1 15 15 A R S S+ 0 0 13 11,-1.7 -1,-0.3 7,-0.1 7,-0.1 -0.902 114.3 67.0-155.3-177.0 -0.2 -2.8 -5.2 16 16 A S S S+ 0 0 25 5,-0.7 6,-0.2 -2,-0.3 -4,-0.2 0.466 82.8 94.3 75.2 4.0 1.9 -2.8 -8.4 17 17 A G S S+ 0 0 38 4,-0.2 42,-0.2 9,-0.1 41,-0.1 0.162 70.3 66.4-109.6 16.9 1.1 0.9 -8.8 18 18 A E S S- 0 0 31 36,-0.1 -1,-0.1 37,-0.1 37,-0.1 0.822 93.9-129.4 -99.7 -46.7 4.3 2.0 -7.1 19 19 A G S S+ 0 0 66 37,-0.0 3,-0.1 0, 0.0 36,-0.1 0.416 90.9 85.5 102.5 4.9 6.9 1.0 -9.5 20 20 A T S S+ 0 0 73 1,-0.2 2,-0.3 34,-0.2 35,-0.1 0.841 106.0 3.6-101.3 -51.4 8.9 -0.7 -6.7 21 21 A N > + 0 0 83 33,-0.2 -5,-0.7 1,-0.1 3,-0.6 -0.753 67.8 162.2-140.5 88.6 7.3 -4.2 -6.5 22 22 A Y T 3 + 0 0 167 -2,-0.3 -7,-0.1 1,-0.2 -1,-0.1 0.381 66.8 64.0 -95.8 4.7 4.6 -4.7 -9.1 23 23 A R T 3 S+ 0 0 224 1,-0.1 -1,-0.2 3,-0.0 3,-0.1 0.419 84.1 77.4-106.4 -0.1 4.4 -8.5 -9.1 24 24 A I S < S- 0 0 74 -3,-0.6 2,-0.2 1,-0.2 -2,-0.1 0.969 105.8 -13.7 -77.4 -55.8 3.1 -8.8 -5.5 25 25 A I - 0 0 23 -4,-0.4 -1,-0.2 1,-0.1 -13,-0.0 -0.816 55.6-155.1-140.5 178.5 -0.6 -7.8 -5.8 26 26 A G - 0 0 23 -2,-0.2 -11,-1.7 -3,-0.1 -12,-0.9 0.172 46.2 -46.7-125.8-118.1 -3.0 -6.2 -8.3 27 27 A A + 0 0 49 -15,-0.2 -15,-0.1 -13,-0.2 -11,-0.0 -0.898 65.3 123.3-139.8 105.7 -6.3 -4.3 -8.0 28 28 A L + 0 0 71 -2,-0.4 4,-0.2 5,-0.1 2,-0.1 -0.234 35.7 144.6-152.3 57.7 -9.3 -5.4 -5.9 29 29 A P + 0 0 42 0, 0.0 6,-0.1 0, 0.0 4,-0.1 -0.474 41.4 40.9 -95.7 166.3 -10.1 -2.6 -3.5 30 30 A Q S S+ 0 0 138 4,-0.3 3,-0.1 2,-0.2 5,-0.0 0.912 117.4 25.2 63.4 104.0 -13.5 -1.3 -2.1 31 31 A G S S+ 0 0 73 1,-0.5 -1,-0.1 0, 0.0 2,-0.1 -0.075 112.9 76.8 104.9 -32.6 -15.9 -4.1 -1.3 32 32 A Q S S- 0 0 112 -4,-0.2 -1,-0.5 1,-0.2 -2,-0.2 -0.268 93.7 -75.0 -96.3-172.7 -13.2 -6.6 -0.7 33 33 A K S S+ 0 0 142 -3,-0.1 -1,-0.2 -2,-0.1 -5,-0.1 -0.481 91.2 40.8 -86.0 157.7 -10.8 -7.1 2.3 34 34 A V - 0 0 37 -2,-0.1 -4,-0.3 -5,-0.1 2,-0.3 0.658 58.8-174.3 76.2 126.1 -7.8 -4.8 3.0 35 35 A Q - 0 0 155 12,-0.2 12,-0.5 -6,-0.1 2,-0.4 -0.842 38.4 -74.4-137.8 175.4 -7.8 -1.0 2.7 36 36 A V - 0 0 64 -2,-0.3 10,-0.2 1,-0.2 3,-0.1 -0.642 38.5-170.2 -76.1 125.7 -5.3 1.8 2.9 37 37 A I - 0 0 106 8,-2.8 2,-0.3 -2,-0.4 -1,-0.2 0.959 58.5 -38.8 -81.6 -56.0 -4.5 2.5 6.6 38 38 A S E -A 45 0A 58 7,-0.7 7,-3.3 2,-0.0 2,-0.4 -0.957 56.2-100.3-171.1 150.8 -2.6 5.8 6.3 39 39 A E E -A 44 0A 136 -2,-0.3 2,-0.4 5,-0.3 5,-0.3 -0.640 37.2-173.9 -80.0 131.4 -0.0 7.6 4.2 40 40 A N E > -A 43 0A 91 3,-3.4 3,-0.9 -2,-0.4 -2,-0.0 -0.954 65.3 -22.0-135.0 114.5 3.5 7.5 5.5 41 41 A S T 3 S- 0 0 129 -2,-0.4 3,-0.1 1,-0.3 -2,-0.0 0.496 127.8 -49.2 71.8 5.5 6.5 9.4 4.1 42 42 A G T 3 S+ 0 0 50 1,-0.6 15,-0.8 13,-0.0 -1,-0.3 -0.279 124.1 81.6 129.4 -48.8 4.7 9.6 0.7 43 43 A W E < S-AB 40 56A 109 -3,-0.9 -3,-3.4 13,-0.2 -1,-0.6 -0.465 81.4-110.3 -84.7 160.5 3.5 6.1 0.1 44 44 A S E -AB 39 55A 3 11,-3.1 11,-1.3 -5,-0.3 2,-0.6 -0.746 24.0-123.1 -96.3 140.3 0.4 4.6 1.7 45 45 A K E +AB 38 54A 63 -7,-3.3 -8,-2.8 -2,-0.4 -7,-0.7 -0.720 39.7 164.0 -82.9 118.7 0.5 1.9 4.4 46 46 A I E - B 0 53A 5 7,-1.5 7,-1.8 -2,-0.6 2,-0.5 -0.992 26.0-158.9-133.8 144.6 -1.3 -1.3 3.5 47 47 A N E - B 0 52A 75 -12,-0.5 2,-1.0 -2,-0.4 5,-0.2 -0.967 12.3-161.7-122.0 113.6 -1.3 -4.8 4.9 48 48 A Y E > - B 0 51A 50 3,-2.7 3,-1.2 -2,-0.5 -14,-0.0 -0.734 66.2 -45.6-105.6 86.1 -2.6 -7.3 2.5 49 49 A N T 3 S- 0 0 105 -2,-1.0 -1,-0.2 1,-0.3 3,-0.1 0.917 121.2 -37.5 62.3 46.3 -3.5 -10.5 4.3 50 50 A G T 3 S+ 0 0 67 1,-0.2 2,-0.5 -3,-0.0 -1,-0.3 0.199 119.7 102.7 94.5 -17.6 -0.4 -10.7 6.4 51 51 A Q E < -B 48 0A 90 -3,-1.2 -3,-2.7 2,-0.0 -1,-0.2 -0.893 64.7-140.4-103.5 128.1 2.0 -9.5 3.8 52 52 A T E +B 47 0A 92 -2,-0.5 2,-0.3 -5,-0.2 -5,-0.2 -0.487 29.6 154.3 -89.3 151.8 3.1 -5.9 4.2 53 53 A G E -B 46 0A 6 -7,-1.8 -7,-1.5 -2,-0.2 2,-0.3 -0.978 32.0-130.9-162.0 173.7 3.6 -3.3 1.5 54 54 A Y E -B 45 0A 82 -2,-0.3 2,-0.3 -9,-0.2 -33,-0.2 -0.989 21.3-174.8-133.0 144.7 3.7 0.3 0.3 55 55 A I E -B 44 0A 2 -11,-1.3 -11,-3.1 -2,-0.3 2,-0.5 -0.928 35.3 -92.2-136.0 161.7 2.0 1.9 -2.7 56 56 A G E > -B 43 0A 11 -2,-0.3 3,-1.6 -13,-0.2 -13,-0.2 -0.629 23.5-146.5 -78.4 123.3 2.0 5.3 -4.3 57 57 A T T 3 S+ 0 0 19 -15,-0.8 -1,-0.1 -2,-0.5 3,-0.1 0.563 89.8 81.7 -64.8 -7.1 -0.8 7.5 -3.0 58 58 A R T 3 S+ 0 0 186 1,-0.2 -50,-1.9 -41,-0.1 2,-0.5 0.868 95.1 41.3 -65.8 -37.6 -1.0 9.0 -6.5 59 59 A Y S < S+ 0 0 94 -3,-1.6 2,-0.3 -42,-0.2 -1,-0.2 -0.960 72.8 122.0-124.3 120.6 -3.1 6.1 -7.7 60 60 A L - 0 0 30 -2,-0.5 2,-0.6 -52,-0.3 3,-0.3 -0.887 59.0 -93.9-155.9 175.6 -6.0 4.5 -5.8 61 61 A S S S+ 0 0 28 -2,-0.3 -51,-0.1 1,-0.1 -53,-0.1 -0.927 80.8 92.7-111.5 118.1 -9.7 3.9 -6.3 62 62 A K + 0 0 108 -2,-0.6 -1,-0.1 -53,-0.4 -52,-0.1 0.198 65.8 80.9-166.9 -22.1 -12.1 6.5 -5.0 63 63 A L + 0 0 85 -54,-0.4 3,-0.1 -3,-0.3 -54,-0.1 -0.090 69.4 140.1 -83.8 34.4 -12.7 8.8 -7.9 64 64 A E + 0 0 97 1,-0.2 3,-0.1 -2,-0.0 -55,-0.0 -0.131 38.0 66.0 -71.3 177.9 -15.1 6.2 -9.2 65 65 A H S S+ 0 0 184 1,-0.3 2,-0.4 0, 0.0 -1,-0.2 0.689 76.4 151.7 69.9 23.8 -18.4 7.1 -10.9 66 66 A H - 0 0 103 -3,-0.1 -1,-0.3 1,-0.0 2,-0.2 -0.707 42.0-129.8 -91.2 134.4 -16.0 8.6 -13.6 67 67 A H - 0 0 153 -2,-0.4 -1,-0.0 -3,-0.1 0, 0.0 -0.551 5.8-146.2 -86.2 146.1 -17.3 8.7 -17.1 68 68 A H S S- 0 0 156 -2,-0.2 -1,-0.1 1,-0.1 -2,-0.0 -0.142 78.9 -66.5 -95.2 36.9 -15.4 7.4 -20.1 69 69 A H 0 0 178 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.937 360.0 360.0 66.5 87.9 -17.0 10.2 -22.1 70 70 A H 0 0 198 0, 0.0 -3,-0.0 0, 0.0 0, 0.0 0.995 360.0 360.0 62.1 360.0 -20.6 9.2 -22.1