==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 05-JUN-03 1PKJ . COMPND 2 MOLECULE: BIFUNCTIONAL DEAMINASE/DIPHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: METHANOCALDOCOCCUS JANNASCHII; . AUTHOR J.L.HUFFMAN,H.LI,R.H.WHITE,J.A.TAINER . 355 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20508.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 225 63.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 2.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 108 30.4 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 . 1 0.3 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 . 27 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 36 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.1 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 2 0 2 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 2 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 . 8 4 3 4 2 0 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 . 2 2 0 1 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 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 0 176 0, 0.0 167,-2.8 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 143.5 30.5 78.3 26.9 2 2 A I B -A 167 0A 97 165,-0.2 165,-0.3 1,-0.1 2,-0.2 -0.649 360.0-116.9 -86.0 132.9 29.1 77.7 30.4 3 3 A L - 0 0 4 163,-2.9 163,-0.3 -2,-0.4 2,-0.1 -0.488 28.7-146.0 -68.2 131.4 31.0 75.2 32.6 4 4 A S >> - 0 0 35 -2,-0.2 4,-2.6 26,-0.1 3,-0.6 -0.356 37.3 -86.7 -88.5 177.8 28.8 72.1 33.6 5 5 A D H 3> S+ 0 0 70 24,-1.9 4,-2.4 1,-0.3 5,-0.2 0.870 130.1 54.2 -52.7 -41.3 29.1 70.3 36.9 6 6 A K H 3> S+ 0 0 145 23,-0.2 4,-1.8 1,-0.2 -1,-0.3 0.862 110.0 46.2 -62.8 -37.6 31.9 68.2 35.5 7 7 A D H <> S+ 0 0 63 -3,-0.6 4,-2.7 2,-0.2 5,-0.2 0.906 110.5 52.2 -72.3 -42.7 33.9 71.2 34.5 8 8 A I H X S+ 0 0 1 -4,-2.6 4,-2.0 1,-0.2 5,-0.2 0.939 110.2 49.4 -59.2 -46.6 33.3 73.0 37.8 9 9 A I H X S+ 0 0 34 -4,-2.4 4,-2.4 -5,-0.2 -1,-0.2 0.915 111.9 48.3 -58.5 -45.7 34.6 69.9 39.7 10 10 A D H X S+ 0 0 98 -4,-1.8 4,-2.3 1,-0.2 6,-0.3 0.946 111.9 48.6 -60.4 -49.3 37.7 69.7 37.5 11 11 A Y H <>S+ 0 0 20 -4,-2.7 6,-2.2 1,-0.2 5,-1.8 0.812 114.0 45.7 -62.7 -33.0 38.6 73.4 37.9 12 12 A V H ><5S+ 0 0 23 -4,-2.0 3,-0.9 -5,-0.2 -1,-0.2 0.905 110.3 54.7 -76.1 -41.2 38.2 73.3 41.7 13 13 A T H 3<5S+ 0 0 104 -4,-2.4 -2,-0.2 1,-0.3 -3,-0.2 0.914 115.0 37.9 -57.2 -45.8 40.2 70.0 41.9 14 14 A S T 3<5S- 0 0 71 -4,-2.3 -1,-0.3 -5,-0.1 -2,-0.2 0.432 112.9-119.0 -86.7 1.2 43.2 71.5 40.1 15 15 A K T < 5S+ 0 0 150 -3,-0.9 -3,-0.2 2,-0.3 3,-0.2 0.711 76.3 130.4 68.3 22.3 42.7 74.9 41.8 16 16 A R S - 0 0 60 -2,-0.5 3,-2.6 10,-0.2 4,-0.3 -0.957 14.5-155.4-123.8 109.8 30.8 72.0 49.2 24 24 A K G > S+ 0 0 141 -2,-0.5 3,-1.2 1,-0.3 -1,-0.1 0.783 94.8 61.1 -55.2 -28.2 30.6 69.4 46.4 25 25 A D G 3 S+ 0 0 111 1,-0.2 -1,-0.3 -3,-0.1 -3,-0.0 0.453 91.1 68.1 -80.3 1.4 26.9 69.2 46.9 26 26 A F G < S+ 0 0 24 -3,-2.6 7,-2.9 7,-0.1 2,-0.7 0.446 75.2 104.8 -94.5 -4.2 26.5 72.8 46.0 27 27 A V B < -B 32 0A 26 -3,-1.2 5,-0.2 -4,-0.3 -22,-0.1 -0.695 54.6-173.3 -80.9 116.7 27.6 72.0 42.4 28 28 A G - 0 0 16 3,-2.8 3,-0.4 -2,-0.7 -2,-0.1 -0.371 45.9 -75.3 -99.2-176.4 24.5 72.1 40.2 29 29 A P S S- 0 0 108 0, 0.0 -24,-1.9 0, 0.0 -23,-0.2 0.853 124.4 -7.4 -47.3 -43.1 24.0 71.1 36.5 30 30 A C S S+ 0 0 59 -26,-0.3 2,-0.3 -25,-0.1 136,-0.3 0.021 128.2 45.5-150.8 38.7 25.8 74.3 35.4 31 31 A S - 0 0 17 -3,-0.4 -3,-2.8 134,-0.2 2,-0.4 -0.946 67.9-118.7-163.5 175.8 26.4 76.5 38.4 32 32 A Y E -BC 27 164A 0 132,-1.7 132,-2.4 -2,-0.3 -5,-0.2 -0.994 27.5-129.9-130.4 123.9 27.7 76.6 42.0 33 33 A D E - C 0 163A 23 -7,-2.9 2,-0.3 -2,-0.4 130,-0.3 -0.478 22.7-162.8 -74.5 140.6 25.4 77.6 44.9 34 34 A V E - C 0 162A 0 128,-2.6 127,-2.4 -2,-0.2 128,-1.5 -0.881 9.9-130.3-120.5 158.8 26.7 80.2 47.4 35 35 A T E - C 0 160A 11 -2,-0.3 66,-2.0 125,-0.3 2,-0.4 -0.769 19.4-101.5-115.4 156.5 25.5 81.0 50.9 36 36 A L B -J 100 0C 0 123,-2.7 122,-3.1 -2,-0.3 64,-0.2 -0.567 32.0-140.1 -77.5 122.5 24.6 84.1 52.9 37 37 A G - 0 0 2 62,-3.4 62,-0.2 -2,-0.4 122,-0.1 -0.224 17.3-122.0 -72.2 167.6 27.1 85.4 55.4 38 38 A D S S+ 0 0 36 119,-0.1 23,-1.9 60,-0.1 2,-0.5 0.419 84.8 88.6 -94.6 3.6 25.9 86.7 58.8 39 39 A E E +G 60 0B 90 21,-0.2 2,-0.3 60,-0.1 60,-0.3 -0.878 53.0 178.4-106.9 130.9 27.4 90.2 58.5 40 40 A F E -G 59 0B 1 19,-2.4 19,-2.4 -2,-0.5 2,-0.4 -0.908 16.7-145.6-127.7 156.0 25.4 93.0 56.9 41 41 A I E -GH 58 97B 31 56,-2.5 56,-2.8 -2,-0.3 2,-0.5 -0.977 8.1-167.6-125.7 134.1 26.0 96.7 56.2 42 42 A I E -G 57 0B 40 15,-2.1 15,-2.2 -2,-0.4 54,-0.1 -0.986 20.7-131.1-123.2 122.7 23.5 99.5 56.3 43 43 A Y E -G 56 0B 83 -2,-0.5 13,-0.3 52,-0.3 2,-0.1 -0.340 12.3-161.3 -70.2 153.3 24.3 102.9 54.9 44 44 A D + 0 0 101 11,-3.1 2,-0.3 3,-0.1 11,-0.1 -0.556 45.8 107.8-137.6 70.2 23.7 106.0 56.9 45 45 A D - 0 0 58 -2,-0.1 3,-0.1 1,-0.1 -2,-0.0 -0.987 66.4-128.5-144.6 151.6 23.7 109.1 54.6 46 46 A E S S+ 0 0 194 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.911 96.2 2.0 -64.9 -45.1 21.0 111.4 53.2 47 47 A V S S- 0 0 97 -3,-0.1 2,-0.7 2,-0.0 -1,-0.2 -0.930 78.4-111.7-139.0 161.6 22.3 110.9 49.6 48 48 A Y + 0 0 145 -2,-0.3 2,-0.6 -3,-0.1 3,-0.0 -0.872 31.1 175.3-104.0 111.9 25.0 108.7 48.0 49 49 A D > - 0 0 78 -2,-0.7 3,-2.3 1,-0.1 -2,-0.0 -0.939 19.3-156.5-115.8 105.5 27.9 110.6 46.5 50 50 A L T 3 S+ 0 0 125 -2,-0.6 -1,-0.1 1,-0.3 4,-0.1 0.587 86.8 75.2 -57.3 -12.8 30.5 108.2 45.3 51 51 A S T 3 S+ 0 0 74 2,-0.1 -1,-0.3 -3,-0.0 2,-0.2 0.696 98.6 55.1 -74.2 -15.7 33.2 110.8 45.6 52 52 A K S < S- 0 0 128 -3,-2.3 2,-0.7 0, 0.0 0, 0.0 -0.668 93.9-105.5-113.9 167.4 33.1 110.2 49.3 53 53 A E - 0 0 113 -2,-0.2 2,-0.1 1,-0.0 -3,-0.1 -0.854 47.4-128.2 -91.3 116.4 33.4 107.2 51.6 54 54 A L - 0 0 23 -2,-0.7 2,-0.3 1,-0.1 -9,-0.1 -0.370 15.2-117.1 -69.4 144.4 29.8 106.5 52.7 55 55 A N + 0 0 100 -11,-0.1 -11,-3.1 -2,-0.1 2,-0.3 -0.598 45.4 162.4 -79.9 140.9 28.9 106.2 56.4 56 56 A Y E -G 43 0B 97 -13,-0.3 2,-0.4 -2,-0.3 -13,-0.2 -0.940 34.2-126.1-152.4 171.9 27.5 102.8 57.4 57 57 A K E -G 42 0B 91 -15,-2.2 -15,-2.1 -2,-0.3 2,-0.6 -0.975 17.7-143.1-125.8 139.0 26.8 100.4 60.3 58 58 A R E +G 41 0B 128 -2,-0.4 2,-0.3 -17,-0.2 -17,-0.2 -0.907 23.1 179.6-105.8 115.8 28.0 96.8 60.6 59 59 A I E -G 40 0B 24 -19,-2.4 -19,-2.4 -2,-0.6 2,-0.4 -0.838 15.2-156.6-114.5 154.1 25.6 94.4 62.1 60 60 A K E -G 39 0B 130 -2,-0.3 -21,-0.2 -21,-0.2 2,-0.2 -0.957 12.1-150.6-132.7 113.3 25.9 90.7 62.8 61 61 A I - 0 0 2 -23,-1.9 4,-0.1 -2,-0.4 27,-0.0 -0.482 10.0-145.7 -82.5 152.8 22.8 88.5 63.1 62 62 A K S S- 0 0 157 2,-0.3 -1,-0.1 -2,-0.2 3,-0.1 0.873 84.2 -28.6 -83.4 -38.4 22.7 85.4 65.2 63 63 A N S S+ 0 0 77 1,-0.4 94,-3.4 92,-0.1 2,-0.3 0.534 116.5 14.1-145.4 -44.8 20.4 83.4 62.9 64 64 A S E -K 156 0D 3 92,-0.2 25,-1.3 23,-0.1 26,-0.8 -0.942 44.1-160.2-145.3 166.4 17.9 85.5 60.8 65 65 A I E -Kl 155 90D 0 90,-2.4 90,-2.9 -2,-0.3 2,-0.6 -0.995 16.9-136.7-145.9 145.5 16.9 88.8 59.5 66 66 A L E -Kl 154 91D 5 24,-2.6 26,-2.6 -2,-0.3 2,-0.7 -0.920 17.3-160.5-107.1 115.0 13.7 90.4 58.1 67 67 A V E -Kl 153 92D 0 86,-2.9 86,-2.5 -2,-0.6 26,-0.2 -0.855 10.1-166.7 -98.8 115.6 14.2 92.5 55.0 68 68 A C E - l 0 93D 0 24,-3.2 26,-2.1 -2,-0.7 80,-0.3 -0.726 27.8 -99.6 -99.9 150.2 11.3 94.9 54.4 69 69 A P > - 0 0 16 0, 0.0 3,-0.9 0, 0.0 80,-0.1 -0.211 54.8 -80.3 -62.5 159.1 10.7 96.8 51.2 70 70 A L T 3 S+ 0 0 112 78,-0.5 77,-0.0 1,-0.2 24,-0.0 -0.228 116.7 23.3 -58.3 150.2 11.8 100.5 51.1 71 71 A N T 3 S+ 0 0 120 1,-0.1 -1,-0.2 -3,-0.1 22,-0.0 0.791 77.1 135.4 61.9 29.4 9.4 103.0 52.8 72 72 A Y < - 0 0 79 -3,-0.9 -2,-0.1 -4,-0.1 -1,-0.1 0.684 62.3-134.8 -78.6 -17.4 7.9 100.3 54.9 73 73 A N - 0 0 119 1,-0.2 2,-0.9 5,-0.0 5,-0.1 0.997 20.5-158.7 60.3 76.0 8.1 102.7 57.8 74 74 A L - 0 0 30 4,-0.1 2,-0.2 -6,-0.1 -1,-0.2 -0.762 12.0-176.0 -90.8 104.4 9.6 100.6 60.6 75 75 A T > - 0 0 77 -2,-0.9 4,-3.1 1,-0.1 5,-0.2 -0.581 42.7-104.8 -94.2 160.7 8.9 102.1 64.0 76 76 A E H > S+ 0 0 152 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.868 123.9 54.1 -51.3 -37.4 10.2 100.6 67.3 77 77 A E H > S+ 0 0 150 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.935 111.8 42.2 -63.1 -47.7 6.7 99.3 67.9 78 78 A K H > S+ 0 0 75 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.900 112.4 54.8 -66.5 -42.1 6.5 97.5 64.5 79 79 A I H X S+ 0 0 47 -4,-3.1 4,-2.6 1,-0.2 -2,-0.2 0.922 108.9 46.3 -59.0 -46.8 10.1 96.2 64.8 80 80 A N H X S+ 0 0 101 -4,-2.3 4,-1.9 -5,-0.2 -1,-0.2 0.836 110.0 57.0 -65.7 -30.7 9.5 94.6 68.2 81 81 A Y H X S+ 0 0 97 -4,-1.4 4,-2.8 -5,-0.2 5,-0.2 0.961 110.8 40.9 -63.9 -51.7 6.3 93.1 66.8 82 82 A F H X S+ 0 0 11 -4,-2.5 4,-3.0 1,-0.2 5,-0.5 0.935 113.1 53.8 -62.7 -47.6 8.1 91.4 63.9 83 83 A K H X S+ 0 0 83 -4,-2.6 4,-0.8 1,-0.2 -1,-0.2 0.871 116.6 39.0 -56.3 -37.8 11.0 90.3 66.1 84 84 A E H < S+ 0 0 172 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.890 118.7 45.8 -81.0 -40.3 8.6 88.6 68.6 85 85 A K H < S+ 0 0 115 -4,-2.8 -2,-0.2 -5,-0.2 -3,-0.2 0.843 131.4 20.1 -72.9 -34.0 6.2 87.2 66.0 86 86 A Y H < S- 0 0 108 -4,-3.0 -3,-0.2 -5,-0.2 -1,-0.2 0.423 97.9-125.8-115.5 -2.5 8.8 85.8 63.7 87 87 A N < + 0 0 123 -4,-0.8 2,-0.4 -5,-0.5 -4,-0.2 0.909 49.1 162.1 58.4 46.1 11.8 85.5 66.0 88 88 A V - 0 0 5 -6,-0.4 -1,-0.2 -5,-0.1 -23,-0.2 -0.793 39.0-144.1 -97.8 142.1 14.1 87.5 63.7 89 89 A D S S+ 0 0 41 -25,-1.3 2,-0.3 -2,-0.4 -24,-0.2 0.823 83.2 20.6 -72.0 -34.2 17.3 89.0 65.2 90 90 A Y E -l 65 0D 97 -26,-0.8 -24,-2.6 -3,-0.0 2,-0.4 -0.986 60.8-157.7-139.2 149.0 17.2 92.1 63.1 91 91 A V E +l 66 0D 17 -2,-0.3 2,-0.3 -26,-0.2 -24,-0.2 -0.994 22.6 167.4-127.5 123.4 14.6 94.0 61.1 92 92 A V E -l 67 0D 12 -26,-2.6 -24,-3.2 -2,-0.4 2,-0.3 -0.899 20.1-150.1-132.2 163.4 15.6 96.4 58.3 93 93 A E E +l 68 0D 67 -2,-0.3 -23,-0.2 -26,-0.2 2,-0.1 -0.976 59.7 5.0-133.8 147.3 13.9 98.2 55.4 94 94 A G S S- 0 0 3 -26,-2.1 54,-0.3 -2,-0.3 2,-0.2 -0.431 109.2 -2.5 82.4-157.8 15.3 99.2 52.0 95 95 A G + 0 0 51 -2,-0.1 2,-0.4 52,-0.1 -52,-0.3 -0.438 61.2 177.7 -75.5 140.1 18.7 98.2 50.7 96 96 A V E - I 0 146B 4 50,-1.6 50,-2.9 -2,-0.2 2,-0.4 -0.997 23.1-130.9-142.5 136.9 21.1 96.3 52.8 97 97 A L E +HI 41 145B 30 -56,-2.8 -56,-2.5 -2,-0.4 2,-0.2 -0.699 32.1 165.6 -90.8 137.9 24.6 94.9 51.9 98 98 A G E - 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