==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 17-JUN-10 3NJH . COMPND 2 MOLECULE: PEPTIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SHEWANELLA ONEIDENSIS; . AUTHOR J.OSIPIUK,R.MULLIGAN,M.BARGASSA,F.COLLART,A.JOACHIMIAK,MIDWE . 484 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22992.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 290 59.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 62 12.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 157 32.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 1.2 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 . 41 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 3.3 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 8 0 0 0 0 0 2 2 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 . 5 4 0 4 5 7 4 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 4 0 0 1 0 1 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 4 A P 0 0 167 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 104.7 56.1 5.7 7.4 2 5 A Q - 0 0 166 38,-0.0 2,-0.2 39,-0.0 38,-0.1 -0.815 360.0-136.5-158.3-179.3 53.9 4.1 10.1 3 6 A G - 0 0 35 -2,-0.2 2,-0.3 36,-0.1 38,-0.2 -0.669 35.4 -68.4-139.6-162.3 50.4 3.8 11.6 4 7 A L - 0 0 110 36,-0.2 38,-2.4 35,-0.2 2,-0.6 -0.770 27.5-153.6-102.3 145.0 48.5 3.6 14.9 5 8 A A E -a 42 0A 59 -2,-0.3 2,-0.3 36,-0.2 38,-0.2 -0.936 16.7-170.3-117.8 101.9 48.6 0.8 17.4 6 9 A Q E -a 43 0A 71 36,-2.6 38,-3.8 -2,-0.6 2,-0.4 -0.725 5.2-155.4 -94.0 147.8 45.4 0.6 19.5 7 10 A F E +a 44 0A 126 -2,-0.3 19,-0.5 36,-0.2 2,-0.4 -0.983 15.2 171.6-128.1 122.8 45.0 -1.6 22.7 8 11 A I E -a 45 0A 15 36,-2.6 38,-2.4 -2,-0.4 2,-0.5 -0.961 22.6-140.7-124.8 148.9 41.8 -3.0 24.1 9 12 A K E -aB 46 24A 90 15,-2.7 15,-2.1 -2,-0.4 2,-0.8 -0.951 8.5-145.1-111.3 128.8 41.5 -5.6 26.9 10 13 A V E -aB 47 23A 0 36,-3.5 38,-3.0 -2,-0.5 2,-0.7 -0.840 17.3-165.1 -96.1 103.8 38.8 -8.3 26.7 11 14 A N E -aB 48 22A 27 11,-2.9 11,-2.9 -2,-0.8 2,-0.6 -0.847 5.9-171.7 -99.1 116.5 37.6 -8.9 30.3 12 15 A V E +aB 49 21A 0 36,-2.5 38,-2.8 -2,-0.7 2,-0.3 -0.953 8.2 171.7-116.0 116.6 35.6 -12.1 30.6 13 16 A T E - B 0 20A 43 7,-2.1 7,-2.9 -2,-0.6 2,-0.7 -0.755 35.9-113.9-116.2 165.0 33.8 -13.0 33.8 14 17 A L E - B 0 19A 54 36,-0.4 2,-0.6 -2,-0.3 3,-0.1 -0.902 31.9-174.2-101.1 109.5 31.4 -15.8 34.5 15 18 A E E > S- B 0 18A 94 3,-3.3 3,-1.2 -2,-0.7 36,-0.0 -0.938 76.7 -17.3-110.2 116.7 27.9 -14.4 35.2 16 19 A N T 3 S- 0 0 175 -2,-0.6 -1,-0.2 1,-0.3 -2,-0.0 0.862 130.5 -54.3 59.4 34.4 25.3 -17.1 36.3 17 20 A G T 3 S+ 0 0 32 1,-0.2 -1,-0.3 -3,-0.1 171,-0.2 0.661 122.2 95.0 73.2 17.8 27.8 -19.7 34.8 18 21 A E E < S-B 15 0A 37 -3,-1.2 -3,-3.3 169,-0.1 -1,-0.2 -0.988 80.9 -98.9-134.7 147.3 28.0 -18.1 31.3 19 22 A P E -B 14 0A 13 0, 0.0 2,-0.4 0, 0.0 -5,-0.2 -0.349 29.7-164.6 -70.6 141.0 30.7 -15.7 30.1 20 23 A V E -B 13 0A 59 -7,-2.9 -7,-2.1 -2,-0.1 2,-0.6 -0.994 11.2-144.9-126.4 131.2 30.2 -11.9 29.9 21 24 A F E +B 12 0A 27 -2,-0.4 2,-0.4 -9,-0.2 -9,-0.2 -0.857 17.7 177.9-106.8 115.7 32.5 -9.7 27.9 22 25 A I E -B 11 0A 79 -11,-2.9 -11,-2.9 -2,-0.6 2,-0.4 -0.978 18.1-147.7-111.3 131.8 33.5 -6.1 29.1 23 26 A Y E -B 10 0A 29 -2,-0.4 8,-2.0 8,-0.4 2,-0.3 -0.852 16.6-175.9 -99.0 132.9 35.9 -4.2 26.9 24 27 A T E -BC 9 30A 19 -15,-2.1 -15,-2.7 -2,-0.4 6,-0.2 -0.983 13.3-138.5-130.1 147.2 38.4 -1.6 28.4 25 28 A D > - 0 0 58 4,-2.5 3,-2.5 -2,-0.3 -17,-0.2 -0.139 45.9 -74.4 -88.4-175.6 40.9 0.8 26.9 26 29 A A T 3 S+ 0 0 88 -19,-0.5 -18,-0.1 1,-0.3 -1,-0.0 0.795 132.7 50.0 -42.8 -39.8 44.5 1.8 27.9 27 30 A N T 3 S- 0 0 131 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.372 120.8-106.6 -88.0 5.0 43.2 3.8 30.8 28 31 A G S < S+ 0 0 54 -3,-2.5 2,-0.4 1,-0.3 -2,-0.1 0.580 72.4 145.5 77.5 11.9 41.0 1.0 32.1 29 32 A Q - 0 0 128 1,-0.1 -4,-2.5 -5,-0.0 -1,-0.3 -0.668 54.2-116.3 -88.1 136.1 37.8 2.7 30.9 30 33 A V B -C 24 0A 99 -2,-0.4 2,-0.3 -6,-0.2 -6,-0.2 -0.434 37.6-163.3 -67.0 136.3 34.9 0.6 29.6 31 34 A C + 0 0 52 -8,-2.0 -8,-0.4 -2,-0.1 2,-0.3 -0.903 12.6 179.3-123.8 154.1 34.3 1.3 25.9 32 35 A Q + 0 0 194 -2,-0.3 2,-0.2 2,-0.1 83,-0.0 -0.979 41.1 30.7-148.1 161.8 31.5 0.7 23.5 33 36 A G S S- 0 0 51 -2,-0.3 83,-0.3 2,-0.0 2,-0.1 -0.494 92.7 -6.2 88.7-157.3 30.5 1.2 19.9 34 37 A A - 0 0 54 -2,-0.2 2,-0.4 81,-0.1 83,-0.2 -0.398 47.7-144.8 -87.1 140.9 32.8 1.4 16.8 35 38 A I E -f 117 0B 16 81,-2.5 83,-2.2 -2,-0.1 2,-0.4 -0.807 21.5-140.2 -88.1 142.3 36.5 1.4 16.5 36 39 A T E -f 118 0B 64 -2,-0.4 2,-0.5 81,-0.2 83,-0.2 -0.887 13.2-166.9-100.2 133.5 37.9 3.5 13.6 37 40 A V + 0 0 9 81,-1.0 3,-0.1 -2,-0.4 6,-0.0 -0.981 14.0 171.7-112.8 112.4 40.8 2.4 11.4 38 41 A T - 0 0 96 -2,-0.5 2,-0.2 1,-0.2 -1,-0.1 0.173 64.2 -2.1-114.2 14.4 41.8 5.6 9.6 39 42 A Q S S- 0 0 93 -35,-0.1 -1,-0.2 49,-0.0 -35,-0.2 -0.859 106.1 -47.9 175.3 168.6 45.0 4.3 7.9 40 43 A A S S+ 0 0 48 -2,-0.2 2,-0.2 -3,-0.1 -36,-0.2 -0.282 85.6 116.1 -54.8 123.1 47.0 1.1 7.8 41 44 A G E - D 0 86A 15 45,-0.9 45,-2.4 -38,-0.2 2,-0.4 -0.907 55.2 -90.4-166.4-169.5 47.5 -0.0 11.5 42 45 A T E -aD 5 85A 45 -38,-2.4 -36,-2.6 -2,-0.2 2,-0.5 -0.967 10.2-159.9-128.4 139.2 46.9 -2.5 14.3 43 46 A I E -aD 6 84A 3 41,-2.4 41,-2.3 -2,-0.4 2,-0.5 -0.989 20.7-157.8-112.1 119.0 44.2 -3.1 17.0 44 47 A T E -aD 7 83A 4 -38,-3.8 -36,-2.6 -2,-0.5 2,-0.6 -0.883 3.6-162.2-102.1 119.6 45.7 -5.3 19.8 45 48 A Y E -aD 8 82A 0 37,-3.1 37,-1.7 -2,-0.5 2,-0.4 -0.875 3.3-161.1-104.1 121.0 43.3 -7.3 22.1 46 49 A L E -aD 9 81A 68 -38,-2.4 -36,-3.5 -2,-0.6 2,-0.4 -0.841 16.3-130.5 -98.6 138.4 44.5 -8.7 25.4 47 50 A L E -a 10 0A 11 33,-2.6 2,-0.5 -2,-0.4 -36,-0.2 -0.709 21.0-177.2 -90.8 133.2 42.6 -11.4 27.2 48 51 A N E -a 11 0A 49 -38,-3.0 -36,-2.5 -2,-0.4 2,-0.9 -0.865 13.1-169.1-126.2 90.6 41.7 -11.0 30.8 49 52 A D E +a 12 0A 40 -2,-0.5 3,-0.2 -38,-0.2 -36,-0.1 -0.764 23.4 159.4 -93.0 107.2 40.1 -14.3 31.7 50 53 A Q + 0 0 109 -38,-2.8 -36,-0.4 -2,-0.9 -1,-0.1 0.076 55.2 90.6-107.4 20.5 38.4 -14.2 35.1 51 54 A T S S- 0 0 5 -38,-0.2 -1,-0.1 -39,-0.2 -38,-0.1 0.738 83.2-135.8 -88.8 -26.8 36.1 -17.1 34.3 52 55 A L S S+ 0 0 163 -3,-0.2 -2,-0.0 3,-0.1 -39,-0.0 0.441 79.2 108.5 77.3 4.6 38.3 -20.0 35.6 53 56 A K S S- 0 0 65 49,-0.0 50,-2.7 50,-0.0 51,-0.6 0.259 89.9-115.7-100.0 14.7 37.3 -21.8 32.4 54 57 A G - 0 0 20 48,-0.2 2,-0.1 49,-0.2 47,-0.1 0.924 44.1-171.9 50.8 51.2 40.8 -21.5 30.7 55 58 A L + 0 0 3 47,-0.2 2,-0.3 -43,-0.1 47,-0.2 -0.411 9.9 172.4 -65.8 148.9 39.8 -19.4 27.8 56 59 A K E -G 101 0B 82 45,-1.4 45,-2.4 -2,-0.1 24,-0.2 -0.946 35.2-105.0-150.6 146.8 42.2 -18.6 25.1 57 60 A F E +G 100 0B 5 22,-2.4 43,-0.2 -2,-0.3 24,-0.1 -0.417 30.9 173.1 -64.0 136.2 41.9 -16.9 21.7 58 61 A V E - 0 0 65 41,-2.7 2,-0.3 1,-0.4 42,-0.2 0.366 63.2 -63.7-117.7 -5.9 41.8 -19.2 18.7 59 62 A G E -G 99 0B 6 40,-1.3 40,-2.1 20,-0.1 2,-0.5 -0.930 52.2 -72.9 157.7-172.1 41.0 -16.4 16.3 60 63 A V E -G 98 0B 0 168,-0.3 170,-2.2 -2,-0.3 2,-0.3 -0.968 37.3-146.2-124.5 129.5 38.6 -13.7 15.1 61 64 A G E -Gh 97 230B 0 36,-2.7 36,-2.2 -2,-0.5 2,-0.4 -0.678 15.4-178.7-102.7 143.0 35.4 -14.5 13.2 62 65 A F E -Gh 96 231B 0 168,-1.7 170,-1.6 -2,-0.3 34,-0.2 -0.994 27.5-149.3-140.8 134.4 33.7 -12.4 10.5 63 66 A V S S+ 0 0 11 32,-0.6 -1,-0.1 -2,-0.4 3,-0.1 0.842 106.8 34.3 -74.7 -28.9 30.5 -13.0 8.5 64 67 A T S > S+ 0 0 22 31,-0.4 3,-1.4 1,-0.1 -1,-0.3 -0.538 71.3 163.1-123.7 69.5 32.1 -11.2 5.7 65 68 A P T 3 S+ 0 0 1 0, 0.0 3,-0.2 0, 0.0 164,-0.2 0.494 72.1 56.0 -68.9 -6.7 35.8 -12.1 5.9 66 69 A F T 3 S+ 0 0 43 1,-0.1 5,-0.0 73,-0.1 -3,-0.0 0.006 71.6 106.4-113.8 24.0 36.6 -11.0 2.3 67 70 A D S < S- 0 0 41 -3,-1.4 -1,-0.1 3,-0.1 4,-0.1 0.595 84.3-122.6 -81.7 -11.9 35.4 -7.4 2.5 68 71 A G S S+ 0 0 20 2,-0.4 22,-0.4 -3,-0.2 20,-0.1 0.365 83.5 103.8 93.1 -4.0 38.9 -5.9 2.6 69 72 A I S S+ 0 0 3 1,-0.2 2,-0.5 24,-0.1 19,-0.3 0.989 87.0 29.9 -75.9 -72.6 38.7 -4.0 5.9 70 73 A I S S- 0 0 3 1,-0.1 -2,-0.4 16,-0.1 -1,-0.2 -0.772 70.2-177.5 -84.0 125.8 40.7 -6.3 8.2 71 74 A D + 0 0 38 14,-2.4 157,-0.4 -2,-0.5 2,-0.3 0.672 62.3 10.2 -98.4 -26.1 43.4 -8.0 6.0 72 75 A A E -E 85 0A 22 13,-1.4 13,-2.3 155,-0.1 2,-0.4 -0.980 54.6-151.6-150.2 163.2 45.0 -10.3 8.6 73 76 A V E -E 84 0A 17 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.991 15.1-165.7-136.7 123.6 44.7 -11.6 12.1 74 77 A T E -E 83 0A 66 9,-2.3 9,-2.6 -2,-0.4 2,-0.3 -0.829 3.3-166.2-109.3 156.5 47.6 -12.6 14.2 75 78 A I E -E 82 0A 78 -2,-0.3 2,-0.3 7,-0.2 7,-0.2 -0.995 20.4-120.6-142.8 141.8 47.6 -14.6 17.5 76 79 A S > - 0 0 38 5,-2.2 3,-2.9 -2,-0.3 5,-0.2 -0.616 31.1-115.0 -81.7 147.2 50.1 -15.4 20.2 77 80 A S T 3 S+ 0 0 137 1,-0.3 -1,-0.1 -2,-0.3 -2,-0.0 0.684 115.6 49.8 -55.3 -25.4 51.0 -19.0 20.9 78 81 A D T 3 S- 0 0 84 3,-0.0 -1,-0.3 -22,-0.0 -21,-0.1 0.339 109.2-121.1 -95.8 3.1 49.5 -18.9 24.4 79 82 A G S < S+ 0 0 4 -3,-2.9 -22,-2.4 2,-0.2 -2,-0.1 0.694 81.7 115.2 63.5 20.3 46.2 -17.4 23.2 80 83 A M S S+ 0 0 54 -24,-0.2 -33,-2.6 1,-0.2 2,-0.4 0.635 73.3 40.2 -92.6 -14.6 46.4 -14.3 25.4 81 84 A L E +D 46 0A 64 -35,-0.2 -5,-2.2 -5,-0.2 2,-0.3 -0.995 54.9 177.1-134.1 143.6 46.7 -11.8 22.5 82 85 A V E -DE 45 75A 0 -37,-1.7 -37,-3.1 -2,-0.4 2,-0.4 -0.983 12.1-161.0-134.5 147.0 45.1 -11.4 19.1 83 86 A Q E -DE 44 74A 65 -9,-2.6 -9,-2.3 -2,-0.3 2,-0.5 -0.985 10.3-149.3-130.3 144.4 45.6 -8.5 16.6 84 87 A L E -DE 43 73A 1 -41,-2.3 -41,-2.4 -2,-0.4 2,-0.5 -0.915 19.6-161.0-106.3 130.2 43.7 -7.2 13.7 85 88 A V E -DE 42 72A 25 -13,-2.3 -14,-2.4 -2,-0.5 -13,-1.4 -0.967 14.0-162.3-119.8 122.9 45.8 -5.7 10.9 86 89 A D E +D 41 0A 2 -45,-2.4 -45,-0.9 -2,-0.5 -16,-0.1 -0.929 15.2 171.4 -97.6 115.6 44.7 -3.3 8.2 87 90 A L + 0 0 117 -2,-0.7 2,-0.2 -47,-0.2 -1,-0.1 0.146 56.0 36.8-106.5 12.6 47.3 -3.3 5.4 88 91 A D S S- 0 0 62 -19,-0.3 -17,-0.0 -20,-0.1 -49,-0.0 -0.803 85.1 -92.3-149.9-166.0 45.5 -1.3 2.7 89 92 A K + 0 0 183 -2,-0.2 -20,-0.1 -50,-0.1 -3,-0.0 0.053 62.4 139.7-103.7 23.0 43.3 1.6 1.7 90 93 A T - 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