==== 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 31-JUL-09 3IIB . COMPND 2 MOLECULE: PEPTIDASE M28; . SOURCE 2 ORGANISM_SCIENTIFIC: SHEWANELLA AMAZONENSIS SB2B; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 442 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17346.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 315 71.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 39 8.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 50 11.3 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 . 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-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 . 24 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 52 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 114 25.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.8 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 0 1 0 0 0 1 1 1 1 0 0 1 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 0 3 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 PARALLEL BRIDGES PER LADDER . 0 0 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 1 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 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 25 A S > 0 0 92 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 165.2 18.1 37.3 39.5 2 26 A D H > + 0 0 90 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.896 360.0 53.0 -54.7 -42.6 15.0 37.3 37.2 3 27 A D H > S+ 0 0 129 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.911 108.8 46.9 -61.6 -44.2 16.9 39.9 35.1 4 28 A I H > S+ 0 0 103 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.885 115.6 47.0 -63.9 -40.0 20.1 37.7 34.8 5 29 A N H X S+ 0 0 18 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.818 105.4 57.3 -76.0 -30.6 18.0 34.7 33.9 6 30 A Q H X S+ 0 0 33 -4,-2.3 4,-2.2 -5,-0.2 -1,-0.2 0.912 108.9 48.6 -63.2 -39.1 15.9 36.6 31.4 7 31 A K H X S+ 0 0 124 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.886 110.0 50.0 -70.2 -38.3 19.2 37.4 29.6 8 32 A V H X S+ 0 0 4 -4,-1.9 4,-2.7 2,-0.2 -1,-0.2 0.932 110.6 51.4 -60.4 -42.9 20.3 33.8 29.7 9 33 A A H X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.907 107.7 51.7 -63.1 -40.4 16.9 32.8 28.3 10 34 A E H X S+ 0 0 86 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.931 111.7 47.5 -57.9 -42.5 17.4 35.4 25.5 11 35 A Q H X S+ 0 0 64 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.868 107.0 56.0 -69.9 -37.0 20.8 33.8 24.7 12 36 A L H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.904 107.1 50.4 -58.6 -42.2 19.4 30.3 24.8 13 37 A A H X S+ 0 0 4 -4,-2.0 4,-1.5 1,-0.2 -1,-0.2 0.880 107.3 53.8 -64.5 -39.2 16.9 31.4 22.1 14 38 A Q H X S+ 0 0 108 -4,-1.7 4,-1.6 1,-0.2 3,-0.2 0.924 108.8 49.5 -55.7 -49.7 19.8 32.8 20.1 15 39 A K H X S+ 0 0 88 -4,-2.4 4,-1.1 1,-0.2 -2,-0.2 0.894 107.2 54.2 -57.2 -43.4 21.5 29.4 20.3 16 40 A A H < S+ 0 0 2 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.850 110.5 46.7 -60.7 -36.6 18.4 27.6 19.2 17 41 A Q H < S+ 0 0 123 -4,-1.5 -1,-0.2 -3,-0.2 -2,-0.2 0.769 116.9 42.6 -77.1 -26.7 18.1 29.7 16.1 18 42 A S H < S+ 0 0 100 -4,-1.6 2,-0.4 -3,-0.2 -2,-0.2 0.481 102.7 80.5 -98.3 -2.3 21.8 29.4 15.1 19 43 A S < - 0 0 45 -4,-1.1 3,-0.4 -5,-0.2 4,-0.3 -0.871 57.8-158.0-114.7 135.5 22.2 25.6 15.8 20 44 A S > + 0 0 73 -2,-0.4 4,-3.2 1,-0.2 5,-0.2 0.438 68.6 106.7 -83.1 2.7 21.1 22.7 13.6 21 45 A L H > S+ 0 0 31 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.878 75.0 49.3 -53.8 -51.8 21.0 20.4 16.7 22 46 A G H > S+ 0 0 5 -3,-0.4 4,-1.8 1,-0.2 -1,-0.2 0.949 116.6 42.2 -53.7 -51.4 17.2 20.1 17.0 23 47 A Y H > S+ 0 0 82 -4,-0.3 4,-2.8 1,-0.2 5,-0.2 0.923 112.6 54.6 -62.1 -43.4 16.9 19.2 13.3 24 48 A D H X S+ 0 0 72 -4,-3.2 4,-2.2 1,-0.2 -1,-0.2 0.841 105.4 53.2 -61.5 -33.7 19.9 16.9 13.5 25 49 A I H X S+ 0 0 2 -4,-2.3 4,-2.3 -5,-0.2 -1,-0.2 0.936 112.7 42.6 -69.9 -43.6 18.3 15.0 16.4 26 50 A V H X S+ 0 0 0 -4,-1.8 4,-2.7 2,-0.2 5,-0.3 0.880 112.9 52.8 -73.3 -31.6 15.1 14.3 14.5 27 51 A E H X S+ 0 0 71 -4,-2.8 4,-2.2 -5,-0.2 5,-0.3 0.941 111.0 49.5 -62.5 -42.6 17.0 13.5 11.2 28 52 A S H X S+ 0 0 2 -4,-2.2 4,-2.8 -5,-0.2 5,-0.3 0.920 113.1 44.6 -62.3 -45.0 19.0 11.0 13.3 29 53 A L H X>S+ 0 0 0 -4,-2.3 5,-2.3 1,-0.2 4,-1.7 0.943 115.3 46.1 -67.3 -48.1 15.9 9.4 14.8 30 54 A T H <5S+ 0 0 11 -4,-2.7 -1,-0.2 3,-0.2 -2,-0.2 0.858 122.1 36.9 -69.1 -32.4 13.9 9.2 11.6 31 55 A V H <5S+ 0 0 97 -4,-2.2 -2,-0.2 -5,-0.3 -3,-0.2 0.931 122.1 39.9 -82.1 -46.6 16.9 7.8 9.6 32 56 A E H <5S+ 0 0 114 -4,-2.8 -3,-0.2 -5,-0.3 -2,-0.2 0.595 138.7 9.4 -86.2 -12.8 18.6 5.5 12.1 33 57 A V T <5S- 0 0 20 -4,-1.7 -3,-0.2 -5,-0.3 -4,-0.1 0.591 80.7-177.0-124.3 -57.3 15.4 4.1 13.6 34 58 A G < + 0 0 6 -5,-2.3 230,-0.2 230,-0.2 -3,-0.1 -0.520 60.0 11.1 80.8-152.1 12.4 5.1 11.6 35 59 A P - 0 0 36 0, 0.0 226,-0.2 0, 0.0 2,-0.2 -0.306 65.9-170.6 -62.0 143.8 8.9 4.1 12.7 36 60 A R - 0 0 1 224,-0.6 223,-1.7 9,-0.1 2,-0.2 -0.587 2.1-173.9-142.2 73.1 9.0 2.7 16.3 37 61 A L > - 0 0 9 221,-0.2 3,-2.1 -2,-0.2 6,-0.4 -0.497 39.6-101.8 -65.8 133.5 5.7 1.1 17.4 38 62 A A T 3 S+ 0 0 2 221,-0.3 34,-0.4 1,-0.3 -1,-0.1 -0.290 107.9 20.9 -55.5 138.0 5.7 0.1 21.0 39 63 A G T 3 S+ 0 0 15 1,-0.3 -1,-0.3 32,-0.1 2,-0.1 0.219 101.1 111.3 86.6 -14.0 6.3 -3.6 21.4 40 64 A S S X> S- 0 0 32 -3,-2.1 3,-1.4 1,-0.1 4,-0.7 -0.351 88.7 -99.0 -80.2 173.4 7.8 -4.0 17.8 41 65 A E H 3> S+ 0 0 95 1,-0.3 4,-1.1 2,-0.2 3,-0.2 0.823 124.0 61.1 -60.2 -28.8 11.4 -4.8 17.1 42 66 A Q H 3> S+ 0 0 78 1,-0.2 4,-2.7 2,-0.2 -1,-0.3 0.653 86.7 74.0 -75.5 -18.5 11.9 -1.1 16.5 43 67 A D H <> S+ 0 0 13 -3,-1.4 4,-2.5 -6,-0.4 -1,-0.2 0.971 101.1 41.0 -57.9 -55.1 10.9 -0.2 20.1 44 68 A K H X S+ 0 0 136 -4,-0.7 4,-2.8 -3,-0.2 5,-0.3 0.889 112.7 56.5 -61.5 -39.4 14.2 -1.5 21.4 45 69 A V H X S+ 0 0 63 -4,-1.1 4,-2.3 2,-0.2 -2,-0.2 0.916 109.2 46.0 -55.3 -44.1 16.1 0.1 18.5 46 70 A A H X S+ 0 0 2 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.907 113.0 49.5 -68.0 -41.9 14.6 3.5 19.4 47 71 A V H X S+ 0 0 3 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.933 112.9 46.3 -60.9 -46.7 15.4 3.0 23.1 48 72 A D H X S+ 0 0 72 -4,-2.8 4,-2.4 1,-0.2 5,-0.2 0.916 112.7 51.7 -65.5 -37.4 19.0 2.1 22.3 49 73 A W H X S+ 0 0 22 -4,-2.3 4,-2.4 -5,-0.3 -1,-0.2 0.911 111.0 47.2 -62.6 -43.2 19.3 5.0 19.9 50 74 A A H X S+ 0 0 0 -4,-2.4 4,-2.9 2,-0.2 5,-0.3 0.914 110.8 50.6 -71.0 -42.2 18.0 7.5 22.6 51 75 A I H X S+ 0 0 28 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.955 114.3 44.5 -57.4 -49.4 20.3 6.2 25.3 52 76 A A H X S+ 0 0 54 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.904 114.2 50.7 -63.7 -41.2 23.3 6.5 22.9 53 77 A K H X S+ 0 0 48 -4,-2.4 4,-1.3 -5,-0.2 -1,-0.2 0.926 111.4 45.8 -65.0 -46.6 22.2 9.9 21.8 54 78 A L H <>S+ 0 0 2 -4,-2.9 5,-1.5 1,-0.2 4,-0.3 0.907 114.0 49.2 -66.4 -39.9 21.7 11.3 25.2 55 79 A Q H ><5S+ 0 0 116 -4,-2.7 3,-1.5 -5,-0.3 -1,-0.2 0.906 108.3 54.2 -60.5 -40.6 25.1 9.9 26.3 56 80 A S H 3<5S+ 0 0 85 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.764 103.4 56.7 -67.3 -26.7 26.7 11.4 23.3 57 81 A L T 3<5S- 0 0 22 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.515 115.2-116.6 -84.1 -3.8 25.4 14.8 24.2 58 82 A G T < 5 + 0 0 45 -3,-1.5 -3,-0.2 -4,-0.3 -2,-0.1 0.697 46.1 175.0 84.8 19.3 27.0 14.6 27.6 59 83 A F < - 0 0 16 -5,-1.5 182,-0.2 1,-0.1 -1,-0.2 -0.186 38.9-122.0 -59.6 152.7 24.0 14.7 29.9 60 84 A D S S+ 0 0 82 180,-1.9 2,-0.4 1,-0.2 181,-0.2 0.880 94.9 14.6 -69.8 -37.4 24.8 14.2 33.6 61 85 A R E +A 240 0A 127 179,-1.0 179,-2.3 2,-0.0 2,-0.4 -0.992 63.3 179.8-134.2 144.7 22.7 11.1 34.0 62 86 A V E +A 239 0A 31 -2,-0.4 2,-0.3 177,-0.2 177,-0.2 -0.962 24.7 135.3-142.0 123.4 21.1 9.0 31.3 63 87 A Y E -A 238 0A 42 175,-2.7 175,-3.5 -2,-0.4 2,-0.3 -0.945 36.8-127.0-158.7 173.4 19.0 6.0 32.2 64 88 A K E -A 237 0A 93 -2,-0.3 173,-0.2 173,-0.2 -2,-0.0 -0.968 6.2-154.1-137.5 158.5 15.9 4.1 31.5 65 89 A E E -A 236 0A 28 171,-2.6 171,-2.6 -2,-0.3 247,-0.1 -0.984 30.0-107.8-134.3 134.2 12.9 2.8 33.4 66 90 A P E -A 235 0A 83 0, 0.0 2,-0.4 0, 0.0 169,-0.3 -0.266 28.7-174.2 -75.4 148.2 10.7 -0.2 32.3 67 91 A V E -A 234 0A 2 167,-2.7 167,-3.2 244,-0.0 2,-0.3 -0.996 25.1-126.6-135.8 127.2 7.2 0.1 31.0 68 92 A T E -A 233 0A 83 -2,-0.4 165,-0.2 165,-0.2 243,-0.1 -0.584 36.1-178.6 -74.8 130.4 4.9 -2.9 30.3 69 93 A V E -A 232 0A 0 163,-2.8 163,-2.6 -2,-0.3 2,-0.1 -0.989 24.4-122.2-134.0 143.5 3.6 -2.7 26.7 70 94 A P E - 0 0 27 0, 0.0 2,-0.5 0, 0.0 160,-0.1 -0.334 24.8-130.6 -74.9 161.1 1.2 -4.8 24.5 71 95 A V E +A 229 0A 9 158,-0.7 158,-2.8 -2,-0.1 2,-0.4 -0.964 31.6 163.6-122.6 114.7 2.4 -6.3 21.3 72 96 A W E -A 228 0A 18 -2,-0.5 2,-0.4 -34,-0.4 156,-0.2 -0.999 17.9-158.5-130.9 133.4 0.3 -5.9 18.1 73 97 A R E -A 227 0A 43 154,-3.0 154,-2.1 -2,-0.4 2,-0.4 -0.953 12.1-137.8-117.8 129.6 1.6 -6.5 14.6 74 98 A R E +A 226 0A 41 -2,-0.4 152,-0.3 152,-0.2 3,-0.1 -0.669 26.4 174.9 -84.6 129.6 0.1 -5.1 11.5 75 99 A G E - 0 0 41 150,-2.8 18,-0.2 -2,-0.4 -1,-0.1 -0.049 46.6 -21.9-106.1-140.8 -0.2 -7.4 8.5 76 100 A I E - 0 0 78 -2,-0.1 149,-2.9 148,-0.1 2,-0.4 -0.250 49.5-166.4 -68.5 150.2 -1.8 -6.9 5.1 77 101 A A E +A 224 0A 34 147,-0.2 2,-0.4 -3,-0.1 14,-0.2 -0.924 18.7 158.0-139.9 114.2 -4.5 -4.2 4.5 78 102 A K E +A 223 0A 122 145,-2.5 145,-2.7 -2,-0.4 2,-0.3 -0.999 6.1 164.7-136.3 133.0 -6.5 -4.4 1.3 79 103 A A E +AB 222 89A 12 10,-0.6 10,-2.1 -2,-0.4 2,-0.3 -0.995 3.4 168.8-144.9 150.2 -9.9 -3.0 0.6 80 104 A S E -AB 221 88A 35 141,-2.0 141,-2.5 -2,-0.3 2,-0.5 -0.990 37.5-108.2-150.8 161.5 -12.1 -2.2 -2.5 81 105 A I E -AB 220 87A 1 6,-3.4 6,-1.5 -2,-0.3 139,-0.3 -0.833 26.6-174.8 -87.3 129.3 -15.6 -1.3 -3.5 82 106 A L E + 0 0 76 137,-2.9 138,-0.2 -2,-0.5 -1,-0.1 0.771 55.1 61.6 -92.1 -32.4 -17.3 -4.2 -5.1 83 107 A S E S+A 219 0A 44 136,-1.4 136,-2.3 2,-0.2 -1,-0.4 -0.974 97.1 4.8-161.4 151.5 -20.5 -2.4 -6.1 84 108 A P S S+ 0 0 39 0, 0.0 134,-0.1 0, 0.0 133,-0.0 -0.939 137.9 4.4 -73.2 -30.8 -22.0 -0.3 -7.6 85 109 A F S S- 0 0 88 2,-0.0 -2,-0.2 -2,-0.0 2,-0.1 -0.954 84.4-127.5-124.1 109.3 -18.8 0.7 -9.4 86 110 A P + 0 0 104 0, 0.0 -4,-0.2 0, 0.0 134,-0.1 -0.353 44.5 150.3 -67.8 134.1 -15.8 -1.4 -8.6 87 111 A Q E -B 81 0A 80 -6,-1.5 -6,-3.4 -2,-0.1 -4,-0.1 -0.993 43.9-100.4-155.9 153.3 -12.8 0.5 -7.4 88 112 A P E -B 80 0A 90 0, 0.0 2,-0.3 0, 0.0 -8,-0.2 -0.348 30.6-155.9 -71.0 147.1 -9.7 0.2 -5.1 89 113 A L E -B 79 0A 14 -10,-2.1 2,-0.6 -2,-0.0 -10,-0.6 -0.882 14.2-134.3-115.3 157.8 -9.6 1.8 -1.7 90 114 A V + 0 0 49 -2,-0.3 111,-1.8 -12,-0.1 2,-0.3 -0.976 43.2 163.5-112.7 117.5 -6.5 2.9 0.3 91 115 A V E -J 200 0B 16 -2,-0.6 2,-0.3 109,-0.2 109,-0.2 -0.922 25.7-166.1-134.3 155.8 -7.1 1.5 3.8 92 116 A T E -J 199 0B 2 107,-2.5 107,-2.9 -2,-0.3 90,-0.1 -0.993 30.5-107.8-143.4 148.1 -5.2 0.8 7.0 93 117 A A E -J 198 0B 2 -2,-0.3 91,-0.3 105,-0.2 105,-0.3 -0.405 35.6-114.4 -64.8 143.7 -6.1 -1.2 10.1 94 118 A L > - 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