==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 17-JUN-10 3NJN . COMPND 2 MOLECULE: PEPTIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SHEWANELLA ONEIDENSIS; . AUTHOR J.OSIPIUK,R.MULLIGAN,M.BARGASSA,F.COLLART,A.JOACHIMIAK,MIDWE . 243 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11709.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 145 59.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 14.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 77 31.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.8 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 . 19 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 8 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 2 2 0 0 0 0 0 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 . 0 4 0 4 1 3 2 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 2 0 0 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 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 3 A A 0 0 133 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 118.3 19.6 12.9 116.5 2 4 A P - 0 0 140 0, 0.0 2,-0.3 0, 0.0 0, 0.0 -0.316 360.0-175.3 -64.2 145.1 16.0 11.7 116.3 3 5 A Q - 0 0 175 38,-0.0 2,-0.2 39,-0.0 38,-0.1 -0.899 7.4-162.3-133.8 164.4 14.3 12.0 112.9 4 6 A G - 0 0 40 -2,-0.3 2,-0.4 36,-0.1 38,-0.3 -0.545 30.3 -75.2-128.6-163.7 10.9 11.3 111.4 5 7 A L E -a 42 0A 87 36,-1.4 38,-2.1 35,-0.2 2,-0.5 -0.844 27.8-150.5-108.2 140.3 9.0 10.8 108.2 6 8 A A E -a 43 0A 55 -2,-0.4 2,-0.3 36,-0.2 38,-0.2 -0.962 17.0-169.5-111.2 115.9 8.1 13.5 105.6 7 9 A Q E -a 44 0A 60 36,-2.4 38,-2.8 -2,-0.5 2,-0.4 -0.782 4.1-155.0-107.1 157.4 4.9 12.8 103.6 8 10 A F E +a 45 0A 105 -2,-0.3 19,-0.4 36,-0.2 2,-0.4 -0.991 14.3 176.1-139.3 135.0 3.8 14.8 100.6 9 11 A I E -a 46 0A 5 36,-2.5 38,-2.2 -2,-0.4 2,-0.5 -0.999 21.5-141.2-138.3 137.1 0.4 15.4 98.9 10 12 A K E -aB 47 25A 92 15,-2.9 15,-2.1 -2,-0.4 2,-0.9 -0.877 13.1-148.3 -96.6 128.5 -0.4 17.6 95.9 11 13 A V E -aB 48 24A 0 36,-3.1 38,-3.1 -2,-0.5 2,-0.5 -0.849 16.7-169.3 -99.7 98.6 -3.6 19.5 96.2 12 14 A N E -aB 49 23A 30 11,-2.6 11,-2.9 -2,-0.9 2,-0.5 -0.780 2.4-165.4 -94.2 130.4 -5.0 19.9 92.7 13 15 A V E +aB 50 22A 2 36,-2.5 38,-2.6 -2,-0.5 2,-0.2 -0.973 16.2 157.6-124.5 125.9 -7.9 22.3 92.4 14 16 A T E - B 0 21A 60 7,-2.3 7,-2.4 -2,-0.5 2,-0.4 -0.684 35.1-108.7-124.9-179.5 -10.3 22.5 89.4 15 17 A L E - B 0 20A 46 36,-0.3 2,-0.4 5,-0.2 -2,-0.0 -0.928 23.6-179.2-113.7 149.2 -13.8 23.8 88.9 16 18 A E E > S- B 0 19A 125 3,-2.4 3,-2.0 -2,-0.4 -2,-0.0 -0.973 82.0 -6.8-143.1 127.6 -17.0 21.9 88.2 17 19 A N T 3 S- 0 0 152 -2,-0.4 -1,-0.0 1,-0.3 -2,-0.0 0.842 131.7 -58.2 47.6 41.1 -20.2 23.9 87.7 18 20 A G T 3 S+ 0 0 39 1,-0.2 -1,-0.3 174,-0.0 173,-0.1 0.403 118.5 102.3 78.7 1.1 -18.3 27.0 88.7 19 21 A E E < S-B 16 0A 32 -3,-2.0 -3,-2.4 171,-0.1 -1,-0.2 -0.825 76.9 -89.4-123.4 153.0 -17.2 25.6 92.1 20 22 A P E -B 15 0A 17 0, 0.0 2,-0.4 0, 0.0 -5,-0.2 -0.248 30.9-167.9 -67.1 146.9 -13.9 24.1 93.4 21 23 A V E -B 14 0A 56 -7,-2.4 -7,-2.3 2,-0.0 2,-0.5 -0.998 11.0-149.9-131.6 123.8 -13.1 20.4 93.2 22 24 A F E +B 13 0A 27 -2,-0.4 2,-0.4 -9,-0.2 -9,-0.2 -0.878 16.1 178.8-100.2 123.7 -10.1 19.1 95.2 23 25 A I E -B 12 0A 69 -11,-2.9 -11,-2.6 -2,-0.5 2,-0.4 -0.995 16.0-147.5-127.7 127.1 -8.2 16.1 93.8 24 26 A Y E -BC 11 32A 21 8,-0.7 8,-2.6 -2,-0.4 2,-0.3 -0.773 12.7-172.7-100.2 138.3 -5.2 14.8 95.7 25 27 A T E -BC 10 31A 19 -15,-2.1 -15,-2.9 -2,-0.4 6,-0.2 -0.940 15.9-134.3-126.6 151.1 -2.2 13.2 94.1 26 28 A D > - 0 0 48 4,-2.3 3,-2.3 -2,-0.3 -17,-0.1 -0.202 41.3 -80.4 -95.0-175.2 0.7 11.5 95.8 27 29 A A T 3 S+ 0 0 89 -19,-0.4 -18,-0.1 1,-0.3 -1,-0.0 0.690 131.2 55.5 -67.7 -13.6 4.5 11.7 95.4 28 30 A N T 3 S- 0 0 135 2,-0.2 -1,-0.3 3,-0.0 3,-0.1 0.389 118.8-111.0 -88.3 0.0 4.1 9.3 92.4 29 31 A G S < S+ 0 0 55 -3,-2.3 2,-0.3 1,-0.3 -2,-0.1 0.548 73.8 138.7 81.4 5.3 1.6 11.6 90.7 30 32 A Q - 0 0 125 1,-0.1 -4,-2.3 -5,-0.0 -1,-0.3 -0.648 61.5-106.3 -89.5 140.6 -1.2 9.1 91.3 31 33 A V E +C 25 0A 111 -2,-0.3 2,-0.3 -6,-0.2 -6,-0.3 -0.370 47.1 177.1 -59.3 134.6 -4.7 10.1 92.4 32 34 A C E -C 24 0A 37 -8,-2.6 -8,-0.7 -2,-0.1 -1,-0.0 -0.924 45.4-107.6-138.1 169.1 -5.3 9.3 96.0 33 35 A Q - 0 0 133 -2,-0.3 3,-0.1 2,-0.1 -8,-0.1 0.803 52.0-126.6 -74.5 -24.5 -8.0 9.7 98.5 34 36 A G + 0 0 2 1,-0.4 2,-0.2 82,-0.1 -1,-0.1 0.137 65.8 123.4 106.2 -14.1 -5.9 12.5 100.3 35 37 A D - 0 0 59 81,-0.1 2,-0.4 -11,-0.1 -1,-0.4 -0.478 46.8-149.7 -78.1 151.0 -5.9 11.2 103.9 36 38 A I E -f 118 0B 14 81,-2.1 83,-2.6 -2,-0.2 2,-0.5 -0.966 5.2-150.4-128.8 135.4 -2.6 10.5 105.6 37 39 A T E -f 119 0B 69 -2,-0.4 2,-0.6 81,-0.2 83,-0.2 -0.900 11.5-155.8-101.9 133.0 -1.6 8.0 108.3 38 40 A V E +f 120 0B 4 81,-3.2 83,-3.0 -2,-0.5 3,-0.1 -0.944 19.4 171.0-115.2 116.3 1.1 9.0 110.6 39 41 A T S S+ 0 0 72 -2,-0.6 2,-0.3 1,-0.2 -1,-0.1 0.453 70.4 9.1-107.1 -10.2 3.0 6.2 112.2 40 42 A Q S S- 0 0 56 47,-0.1 -1,-0.2 82,-0.1 -35,-0.2 -0.950 101.5 -62.6-154.9 168.4 5.8 8.2 113.8 41 43 A A S S+ 0 0 37 47,-0.4 -36,-1.4 -2,-0.3 2,-0.3 -0.163 79.5 102.3 -51.8 144.0 6.6 11.9 114.4 42 44 A G E -aD 5 87A 16 45,-2.4 45,-2.7 -38,-0.3 2,-0.3 -0.978 59.4 -70.3 171.3-158.4 7.1 13.9 111.2 43 45 A T E -aD 6 86A 52 -38,-2.1 -36,-2.4 -2,-0.3 2,-0.4 -0.894 18.2-153.9-130.0 154.7 5.7 16.3 108.7 44 46 A I E -aD 7 85A 0 41,-1.8 41,-3.0 -2,-0.3 2,-0.5 -0.990 15.9-161.3-130.5 125.3 3.1 16.4 106.0 45 47 A T E -aD 8 84A 5 -38,-2.8 -36,-2.5 -2,-0.4 2,-0.5 -0.918 2.7-164.3-110.7 128.4 3.6 18.8 103.2 46 48 A Y E -aD 9 83A 0 37,-3.1 37,-2.0 -2,-0.5 2,-0.5 -0.965 4.2-161.0-116.1 124.6 0.7 20.0 100.9 47 49 A L E -aD 10 82A 63 -38,-2.2 -36,-3.1 -2,-0.5 2,-0.4 -0.897 16.0-133.3-107.0 124.8 1.5 21.6 97.6 48 50 A L E -a 11 0A 15 33,-3.0 2,-0.5 -2,-0.5 -36,-0.2 -0.658 20.1-177.2 -83.2 128.9 -1.2 23.7 95.9 49 51 A N E -a 12 0A 45 -38,-3.1 -36,-2.5 -2,-0.4 2,-0.8 -0.864 14.2-166.2-120.5 87.4 -1.8 23.2 92.2 50 52 A D E +a 13 0A 37 -2,-0.5 3,-0.2 -38,-0.2 -36,-0.1 -0.706 23.6 161.9 -81.5 109.0 -4.4 25.7 91.4 51 53 A Q + 0 0 125 -38,-2.6 -36,-0.3 -2,-0.8 -1,-0.1 -0.040 53.4 92.0-111.5 29.8 -6.0 25.0 88.0 52 54 A T S S- 0 0 9 -38,-0.2 -1,-0.1 4,-0.0 -38,-0.1 0.595 83.9-131.8 -98.4 -17.5 -9.2 27.1 88.7 53 55 A L S S+ 0 0 172 -3,-0.2 -39,-0.0 1,-0.1 -2,-0.0 0.586 81.6 109.1 62.5 13.8 -8.1 30.6 87.3 54 56 A K S S- 0 0 58 50,-0.0 50,-2.5 49,-0.0 51,-0.6 0.257 89.0-117.0-102.1 7.1 -9.5 32.0 90.6 55 57 A G - 0 0 20 48,-0.2 2,-0.1 1,-0.2 47,-0.1 0.870 42.4-168.6 64.2 42.1 -6.1 32.9 92.1 56 58 A L + 0 0 2 47,-0.1 2,-0.3 45,-0.1 47,-0.2 -0.371 11.6 174.9 -68.2 143.0 -6.2 30.5 95.0 57 59 A K E -H 102 0C 81 45,-1.8 45,-2.3 -2,-0.1 2,-0.2 -0.992 33.4-112.8-143.4 135.1 -3.7 30.8 97.8 58 60 A F E +H 101 0C 5 22,-3.0 43,-0.3 -2,-0.3 24,-0.1 -0.489 31.4 172.5 -60.6 139.0 -3.5 28.9 101.1 59 61 A V E - 0 0 58 41,-3.1 2,-0.3 1,-0.4 42,-0.2 0.396 62.9 -51.7-122.2 -2.5 -4.1 31.0 104.1 60 62 A G E -H 100 0C 2 40,-1.2 40,-2.3 20,-0.1 -1,-0.4 -0.946 54.3 -84.8 159.1-175.3 -4.1 28.2 106.7 61 63 A V E -H 99 0C 0 170,-0.3 172,-2.6 -2,-0.3 2,-0.3 -0.998 41.1-149.2-125.5 123.8 -5.5 24.8 107.7 62 64 A G E -Hi 98 233C 0 36,-3.0 36,-2.5 -2,-0.4 2,-0.4 -0.734 12.3-172.3-106.5 144.9 -8.8 24.8 109.6 63 65 A F E -Hi 97 234C 0 170,-2.2 172,-2.1 -2,-0.3 34,-0.1 -0.998 25.9-155.1-134.4 133.6 -10.1 22.4 112.1 64 66 A V S S+ 0 0 50 32,-0.5 -1,-0.1 -2,-0.4 3,-0.1 0.764 108.4 37.6 -73.4 -24.5 -13.6 22.0 113.8 65 67 A T S > S+ 0 0 51 31,-0.4 3,-1.6 1,-0.1 -1,-0.3 -0.574 74.0 160.1-123.1 64.9 -11.6 20.3 116.7 66 68 A P T 3 S+ 0 0 1 0, 0.0 3,-0.3 0, 0.0 166,-0.2 0.601 70.7 54.6 -68.4 -10.6 -8.4 22.4 116.7 67 69 A F T 3 S+ 0 0 41 1,-0.2 76,-0.0 75,-0.1 -3,-0.0 0.158 73.1 104.6-107.3 19.5 -7.5 21.4 120.3 68 70 A D S < S- 0 0 36 -3,-1.6 -1,-0.2 1,-0.1 75,-0.0 0.620 81.4-130.1 -81.3 -7.6 -7.6 17.7 119.8 69 71 A G S S+ 0 0 29 2,-0.3 22,-0.4 -3,-0.3 21,-0.3 0.426 75.7 114.9 78.9 0.9 -3.8 17.4 119.7 70 72 A I S S+ 0 0 4 1,-0.2 19,-0.5 20,-0.1 2,-0.5 0.952 81.3 35.7 -71.6 -45.9 -3.5 15.3 116.5 71 73 A I - 0 0 4 16,-0.1 -2,-0.3 1,-0.1 16,-0.2 -0.929 68.0-166.8-107.3 133.3 -1.7 18.1 114.6 72 74 A D - 0 0 61 14,-2.4 159,-0.4 -2,-0.5 2,-0.3 0.761 64.3 -6.1 -86.3 -37.2 0.7 20.3 116.6 73 75 A A E -E 86 0A 27 13,-1.2 13,-2.3 157,-0.1 2,-0.4 -0.985 51.4-141.3-159.8 158.4 1.4 23.2 114.2 74 76 A V E -E 85 0A 13 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.989 16.3-169.5-124.6 132.3 0.7 24.6 110.7 75 77 A T E -E 84 0A 69 9,-2.8 9,-2.5 -2,-0.4 2,-0.4 -0.917 5.8-163.3-120.6 152.7 3.3 26.5 108.7 76 78 A I E -E 83 0A 77 -2,-0.3 7,-0.2 7,-0.2 2,-0.2 -0.984 17.8-121.5-137.6 139.6 2.6 28.3 105.5 77 79 A S > - 0 0 33 5,-2.4 3,-1.9 -2,-0.4 5,-0.1 -0.511 29.1-115.4 -79.9 156.6 4.8 29.7 102.6 78 80 A S T 3 S+ 0 0 140 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.0 0.737 114.7 51.8 -67.6 -21.5 4.7 33.4 101.8 79 81 A D T 3 S- 0 0 92 3,-0.0 -1,-0.3 -22,-0.0 -21,-0.1 0.361 109.8-119.6 -93.1 3.4 3.3 32.7 98.4 80 82 A G S < S+ 0 0 4 -3,-1.9 -22,-3.0 2,-0.2 -2,-0.1 0.650 83.8 113.2 71.7 10.6 0.4 30.6 99.7 81 83 A M S S+ 0 0 61 -24,-0.2 -33,-3.0 1,-0.1 2,-0.4 0.619 71.0 41.7 -90.8 -14.4 1.6 27.6 97.7 82 84 A L E -D 47 0A 58 -35,-0.2 -5,-2.4 -24,-0.1 2,-0.4 -0.998 51.8-178.9-136.0 138.9 2.6 25.3 100.5 83 85 A V E -DE 46 76A 0 -37,-2.0 -37,-3.1 -2,-0.4 2,-0.4 -0.983 12.8-165.0-126.1 144.9 1.3 24.4 103.9 84 86 A Q E -DE 45 75A 78 -9,-2.5 -9,-2.8 -2,-0.4 2,-0.4 -0.990 6.1-150.7-129.7 137.9 3.1 21.9 106.2 85 87 A L E -DE 44 74A 0 -41,-3.0 -41,-1.8 -2,-0.4 2,-0.5 -0.894 6.4-146.4-106.9 139.8 1.8 20.2 109.3 86 88 A V E +DE 43 73A 47 -13,-2.3 -14,-2.4 -2,-0.4 -13,-1.2 -0.934 20.6 179.3-104.0 123.4 3.9 19.1 112.2 87 89 A D E -D 42 0A 0 -45,-2.7 -45,-2.4 -2,-0.5 -16,-0.1 -0.948 17.6-175.7-132.3 106.1 2.6 15.9 113.8 88 90 A L - 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