==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 05-JUN-03 1PKH . COMPND 2 MOLECULE: BIFUNCTIONAL DEAMINASE/DIPHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: METHANOCALDOCOCCUS JANNASCHII; . AUTHOR J.L.HUFFMAN,H.LI,R.H.WHITE,J.A.TAINER . 357 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20564.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 221 61.9 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 . 110 30.8 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 . 2 0.6 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 . 22 6.2 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 . 7 5 2 5 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,-2.6 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 138.2 30.5 78.1 26.9 2 2 A I B -A 167 0A 95 165,-0.2 165,-0.3 1,-0.1 2,-0.2 -0.645 360.0-114.1 -85.8 131.6 29.1 77.6 30.3 3 3 A L - 0 0 4 163,-2.8 163,-0.3 -2,-0.4 2,-0.1 -0.417 28.8-144.2 -65.6 129.9 30.9 75.2 32.6 4 4 A S > - 0 0 34 -2,-0.2 4,-2.9 26,-0.1 26,-0.3 -0.389 34.7 -91.7 -78.7 172.9 28.9 72.1 33.5 5 5 A D H > S+ 0 0 71 24,-2.1 4,-2.5 1,-0.2 5,-0.2 0.891 128.9 54.3 -46.0 -45.8 29.0 70.3 36.9 6 6 A K H > S+ 0 0 157 23,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.914 110.8 45.4 -60.1 -42.5 31.8 68.1 35.5 7 7 A D H > S+ 0 0 61 2,-0.2 4,-2.9 -3,-0.2 5,-0.3 0.913 109.7 53.4 -69.7 -46.4 33.9 71.1 34.6 8 8 A I H X S+ 0 0 1 -4,-2.9 4,-2.3 1,-0.2 5,-0.2 0.951 110.2 48.6 -55.6 -46.3 33.3 72.9 37.9 9 9 A I H X S+ 0 0 34 -4,-2.5 4,-2.6 -5,-0.2 -2,-0.2 0.931 112.1 48.9 -61.8 -43.6 34.5 69.9 39.8 10 10 A D H X S+ 0 0 97 -4,-2.0 4,-2.2 1,-0.2 6,-0.3 0.951 112.1 47.2 -58.0 -49.0 37.6 69.6 37.5 11 11 A Y H <>S+ 0 0 20 -4,-2.9 6,-1.8 1,-0.2 5,-1.7 0.849 114.1 47.2 -68.9 -32.8 38.5 73.3 37.9 12 12 A V H ><5S+ 0 0 22 -4,-2.3 3,-1.2 -5,-0.3 -1,-0.2 0.911 109.4 54.8 -70.8 -41.0 38.1 73.2 41.7 13 13 A T H 3<5S+ 0 0 110 -4,-2.6 -2,-0.2 1,-0.3 -3,-0.2 0.909 113.6 40.2 -57.8 -42.8 40.1 70.0 42.0 14 14 A S T 3<5S- 0 0 70 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.415 113.4-115.7 -88.9 3.9 43.1 71.5 40.2 15 15 A K T < 5S+ 0 0 148 -3,-1.2 3,-0.2 2,-0.3 -3,-0.2 0.709 79.5 127.0 65.8 23.4 42.7 74.9 41.9 16 16 A R S - 0 0 60 -2,-0.4 3,-2.0 10,-0.2 4,-0.2 -0.984 15.2-154.7-124.3 115.9 30.8 71.9 49.2 24 24 A K G > S+ 0 0 139 -2,-0.5 3,-1.5 1,-0.3 -1,-0.1 0.806 93.6 63.3 -66.6 -23.5 30.5 69.3 46.4 25 25 A D G 3 S+ 0 0 107 1,-0.3 -1,-0.3 -3,-0.1 -3,-0.0 0.564 91.9 66.5 -77.3 -1.5 26.7 69.0 47.0 26 26 A F G < S+ 0 0 23 -3,-2.0 7,-2.6 7,-0.1 2,-0.7 0.492 75.3 105.1 -93.5 -1.5 26.4 72.7 46.0 27 27 A V B < -B 32 0A 27 -3,-1.5 5,-0.2 5,-0.2 -22,-0.1 -0.701 53.2-173.5 -78.5 115.5 27.5 71.9 42.4 28 28 A G - 0 0 17 3,-2.7 3,-0.3 -2,-0.7 -2,-0.1 -0.287 46.1 -77.2 -95.9-174.7 24.4 72.0 40.1 29 29 A P S S- 0 0 100 0, 0.0 -24,-2.1 0, 0.0 -23,-0.2 0.867 124.1 -5.4 -54.1 -36.6 24.2 71.1 36.4 30 30 A C S S+ 0 0 66 -26,-0.3 2,-0.3 -25,-0.1 136,-0.2 -0.012 127.2 48.3-152.9 40.4 25.8 74.3 35.4 31 31 A S - 0 0 20 -3,-0.3 -3,-2.7 134,-0.2 2,-0.4 -0.974 65.3-123.3-165.9 171.0 26.3 76.5 38.4 32 32 A Y E -BC 27 164A 0 132,-2.2 132,-2.8 -2,-0.3 -5,-0.2 -0.994 28.0-130.4-126.0 123.9 27.6 76.5 42.0 33 33 A D E - C 0 163A 25 -7,-2.6 130,-0.3 -2,-0.4 2,-0.3 -0.547 21.3-161.8 -78.4 140.3 25.4 77.6 44.9 34 34 A V E - C 0 162A 0 128,-2.3 127,-2.6 -2,-0.2 128,-1.3 -0.762 9.3-133.4-118.4 160.9 26.7 80.2 47.4 35 35 A T E - C 0 160A 10 125,-0.3 66,-2.3 -2,-0.3 2,-0.5 -0.809 19.4-101.8-126.5 154.6 25.4 80.9 50.9 36 36 A L B -J 100 0C 0 123,-2.7 122,-3.1 -2,-0.3 64,-0.2 -0.616 31.1-140.2 -82.3 123.5 24.6 84.0 52.9 37 37 A G - 0 0 2 62,-2.9 62,-0.2 -2,-0.5 122,-0.1 -0.251 19.1-119.7 -72.4 165.4 27.0 85.3 55.5 38 38 A D S S+ 0 0 43 119,-0.1 23,-2.2 60,-0.1 2,-0.4 0.473 85.2 87.9 -89.1 1.5 25.9 86.6 58.9 39 39 A E E +G 60 0B 81 21,-0.2 60,-0.3 60,-0.1 2,-0.3 -0.860 52.0 177.2-107.7 139.6 27.3 90.1 58.5 40 40 A F E -G 59 0B 0 19,-2.5 19,-3.0 -2,-0.4 2,-0.4 -0.922 18.3-144.6-134.5 152.3 25.4 93.0 56.9 41 41 A I E -GH 58 97B 37 56,-2.1 56,-2.6 -2,-0.3 2,-0.4 -0.975 9.1-170.4-122.3 134.4 26.0 96.7 56.2 42 42 A I E -G 57 0B 38 15,-2.5 15,-2.9 -2,-0.4 54,-0.1 -0.997 22.9-130.8-121.5 124.8 23.3 99.4 56.3 43 43 A Y E -G 56 0B 86 -2,-0.4 13,-0.3 52,-0.3 2,-0.3 -0.401 11.6-160.0 -74.5 151.9 24.3 102.9 54.9 44 44 A D + 0 0 97 11,-2.8 2,-0.3 -2,-0.1 11,-0.1 -0.668 47.8 109.2-128.1 75.9 23.5 106.0 57.0 45 45 A D - 0 0 57 -2,-0.3 3,-0.1 1,-0.1 -2,-0.0 -0.992 64.9-132.3-149.7 148.9 23.6 108.9 54.6 46 46 A E S S+ 0 0 195 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.869 95.0 7.3 -70.5 -39.9 21.0 111.2 53.1 47 47 A V S S- 0 0 98 -3,-0.1 2,-0.8 2,-0.1 -1,-0.2 -0.961 76.5-118.7-138.3 156.7 22.4 110.8 49.6 48 48 A Y + 0 0 138 -2,-0.3 2,-0.6 -3,-0.1 3,-0.0 -0.881 29.3 177.2-101.6 109.2 25.0 108.6 48.0 49 49 A D > - 0 0 74 -2,-0.8 3,-2.2 1,-0.1 -2,-0.1 -0.972 19.5-155.1-109.1 110.3 27.8 110.6 46.5 50 50 A L T 3 S+ 0 0 121 -2,-0.6 -1,-0.1 1,-0.3 4,-0.1 0.618 88.7 74.1 -66.0 -15.7 30.4 108.1 45.2 51 51 A S T 3 S+ 0 0 71 2,-0.1 -1,-0.3 -3,-0.0 2,-0.2 0.721 98.0 62.0 -63.9 -19.9 33.1 110.8 45.5 52 52 A K S < S- 0 0 123 -3,-2.2 2,-0.7 3,-0.0 0, 0.0 -0.596 91.5-110.4-102.4 162.8 32.9 110.1 49.3 53 53 A E - 0 0 124 -2,-0.2 2,-0.1 1,-0.0 -2,-0.1 -0.842 49.2-127.6 -79.5 117.9 33.4 107.2 51.6 54 54 A L - 0 0 19 -2,-0.7 2,-0.3 -4,-0.1 -9,-0.1 -0.353 12.9-119.6 -75.4 150.0 29.8 106.4 52.7 55 55 A N + 0 0 97 -11,-0.1 -11,-2.8 -2,-0.1 2,-0.3 -0.664 44.4 162.7 -80.7 142.4 28.8 106.2 56.3 56 56 A Y E -G 43 0B 102 -13,-0.3 2,-0.4 -2,-0.3 -13,-0.3 -0.958 35.4-126.6-152.9 168.4 27.4 102.8 57.4 57 57 A K E -G 42 0B 103 -15,-2.9 -15,-2.5 -2,-0.3 2,-0.4 -0.958 20.5-146.1-116.2 140.6 26.5 100.5 60.2 58 58 A R E -G 41 0B 121 -2,-0.4 2,-0.3 -17,-0.2 -17,-0.2 -0.823 19.3-177.7-101.1 141.4 27.7 96.9 60.4 59 59 A I E -G 40 0B 23 -19,-3.0 -19,-2.5 -2,-0.4 2,-0.4 -0.980 15.8-155.6-133.7 154.2 25.5 94.2 62.0 60 60 A K E -G 39 0B 128 -2,-0.3 2,-0.3 -21,-0.2 -21,-0.2 -0.989 14.0-149.4-127.8 121.1 25.9 90.5 62.7 61 61 A I - 0 0 1 -23,-2.2 4,-0.1 -2,-0.4 -2,-0.0 -0.667 10.2-149.2 -88.6 142.4 22.8 88.3 63.0 62 62 A K S S- 0 0 134 -2,-0.3 -1,-0.1 2,-0.2 -24,-0.0 0.891 86.3 -28.3 -76.3 -35.0 22.8 85.3 65.2 63 63 A N S S+ 0 0 78 1,-0.3 94,-3.1 92,-0.1 2,-0.3 0.567 116.0 14.9-145.6 -36.9 20.3 83.5 62.9 64 64 A S E -K 156 0D 3 92,-0.3 25,-2.3 23,-0.1 26,-0.8 -0.986 43.0-157.7-155.3 155.9 17.9 85.5 60.8 65 65 A I E -Kl 155 90D 0 90,-2.6 90,-2.9 -2,-0.3 2,-0.6 -0.986 15.8-139.8-135.8 139.1 16.9 88.9 59.3 66 66 A L E -Kl 154 91D 6 24,-2.5 26,-2.6 -2,-0.3 2,-0.6 -0.934 18.9-160.4 -99.6 117.7 13.6 90.4 58.1 67 67 A V E -Kl 153 92D 0 86,-2.7 86,-2.1 -2,-0.6 26,-0.2 -0.899 9.8-166.6-104.0 116.7 14.2 92.5 55.0 68 68 A C E - l 0 93D 0 24,-2.8 26,-1.9 -2,-0.6 80,-0.3 -0.731 26.2-100.0-102.8 148.2 11.3 94.9 54.3 69 69 A P > - 0 0 15 0, 0.0 3,-0.6 0, 0.0 80,-0.1 -0.159 54.2 -82.2 -58.3 156.1 10.7 96.9 51.1 70 70 A L T 3 S+ 0 0 118 78,-0.4 77,-0.0 1,-0.2 0, 0.0 -0.329 116.2 26.8 -54.3 143.9 11.7 100.5 51.1 71 71 A N T 3 S+ 0 0 124 -3,-0.1 -1,-0.2 1,-0.1 22,-0.0 0.841 74.7 134.5 68.5 35.9 9.2 102.9 52.7 72 72 A Y < - 0 0 73 -3,-0.6 -2,-0.1 -4,-0.1 -1,-0.1 0.665 60.7-139.2 -86.3 -13.5 7.9 100.2 55.0 73 73 A N - 0 0 123 1,-0.2 2,-0.6 5,-0.0 5,-0.1 0.968 19.0-156.2 49.0 79.1 8.2 102.8 57.7 74 74 A L - 0 0 34 4,-0.1 2,-0.3 3,-0.0 -1,-0.2 -0.693 12.0-173.8 -84.9 112.8 9.5 100.8 60.6 75 75 A T > - 0 0 72 -2,-0.6 4,-3.0 1,-0.1 3,-0.3 -0.726 42.0-105.1-102.0 161.9 8.9 102.0 64.1 76 76 A E H > S+ 0 0 149 -2,-0.3 4,-2.6 1,-0.2 5,-0.3 0.881 124.0 54.8 -49.6 -37.2 10.3 100.5 67.2 77 77 A E H > S+ 0 0 133 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.964 109.5 43.9 -67.6 -42.0 6.8 99.1 67.8 78 78 A K H > S+ 0 0 66 -3,-0.3 4,-2.5 2,-0.2 5,-0.2 0.888 112.4 54.7 -66.9 -39.6 6.7 97.3 64.4 79 79 A I H X S+ 0 0 47 -4,-3.0 4,-2.7 1,-0.2 5,-0.3 0.953 110.4 43.5 -61.0 -50.2 10.2 96.1 64.8 80 80 A N H X S+ 0 0 94 -4,-2.6 4,-2.8 -5,-0.2 5,-0.3 0.898 110.4 58.2 -65.6 -31.8 9.5 94.4 68.1 81 81 A Y H X S+ 0 0 98 -4,-1.9 4,-2.8 -5,-0.3 5,-0.3 0.963 111.5 40.0 -51.9 -53.5 6.3 93.1 66.7 82 82 A F H X S+ 0 0 11 -4,-2.5 4,-2.9 2,-0.2 6,-0.5 0.901 114.0 53.3 -68.3 -38.5 8.2 91.3 63.9 83 83 A K H X S+ 0 0 82 -4,-2.7 4,-1.3 -5,-0.2 -1,-0.2 0.953 114.3 42.6 -62.6 -43.2 11.0 90.2 66.2 84 84 A E H < S+ 0 0 170 -4,-2.8 -2,-0.2 -5,-0.3 -1,-0.2 0.951 120.2 40.8 -68.2 -44.2 8.5 88.7 68.6 85 85 A K H < S+ 0 0 110 -4,-2.8 -2,-0.2 -5,-0.3 -1,-0.2 0.874 128.9 25.4 -77.7 -35.0 6.3 87.1 66.0 86 86 A Y H < S- 0 0 105 -4,-2.9 -1,-0.2 -5,-0.3 -3,-0.2 0.484 96.6-126.2-112.7 1.8 8.8 85.8 63.5 87 87 A N < + 0 0 123 -4,-1.3 2,-0.2 -5,-0.4 -4,-0.2 0.842 51.4 158.0 59.1 38.6 11.8 85.4 65.8 88 88 A V - 0 0 5 -6,-0.5 -23,-0.2 1,-0.1 -1,-0.2 -0.627 42.2-142.6 -91.3 152.3 14.2 87.4 63.7 89 89 A D S S+ 0 0 21 -25,-2.3 2,-0.3 -2,-0.2 -24,-0.2 0.766 83.0 16.8 -81.8 -28.7 17.4 89.1 65.1 90 90 A Y E -l 65 0D 99 -26,-0.8 -24,-2.5 -31,-0.0 2,-0.4 -0.984 59.8-155.1-147.6 147.2 17.1 92.2 63.0 91 91 A V E +l 66 0D 13 -2,-0.3 2,-0.3 -26,-0.2 -24,-0.2 -0.998 23.7 169.0-125.7 121.4 14.5 94.1 61.0 92 92 A V E -l 67 0D 18 -26,-2.6 -24,-2.8 -2,-0.4 2,-0.3 -0.884 20.0-148.6-130.3 162.0 15.6 96.4 58.2 93 93 A E E +l 68 0D 64 -2,-0.3 -23,-0.2 -26,-0.2 2,-0.1 -0.950 60.6 5.2-127.8 152.7 14.0 98.3 55.3 94 94 A G S S- 0 0 4 -26,-1.9 54,-0.2 -2,-0.3 2,-0.2 -0.389 110.4 -1.7 77.5-158.6 15.3 99.2 51.9 95 95 A G + 0 0 51 52,-0.1 2,-0.4 -2,-0.1 -52,-0.3 -0.444 59.4 179.4 -77.3 138.2 18.7 98.1 50.7 96 96 A V E - I 0 146B 3 50,-1.9 50,-3.0 -2,-0.2 2,-0.4 -0.999 20.5-136.8-134.1 136.6 21.1 96.0 52.8 97 97 A L E +HI 41 145B 29 -56,-2.6 -56,-2.1 -2,-0.4 48,-0.2 -0.776 29.4 167.6 -91.1 138.5 24.5 94.8 51.8 98 98 A G E - 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0 0 78 44,-2.4 4,-2.2 1,-0.1 3,-0.7 -0.281 26.0-127.3 -70.9 149.3 18.2 82.1 43.6 118 118 A S H 3> S+ 0 0 94 1,-0.3 4,-2.1 2,-0.2 5,-0.1 0.824 105.3 59.3 -59.2 -41.4 14.9 81.5 41.9 119 119 A S H 34 S+ 0 0 62 1,-0.2 -1,-0.3 2,-0.2 4,-0.1 0.814 111.1 42.8 -67.5 -28.4 13.0 80.5 45.0 120 120 A L H X4>S+ 0 0 18 -3,-0.7 5,-2.4 2,-0.2 3,-1.7 0.826 109.4 56.3 -80.1 -38.0 13.7 83.9 46.5 121 121 A G H ><5S+ 0 0 38 -4,-2.2 3,-2.0 1,-0.3 -2,-0.2 0.887 98.0 64.9 -55.5 -35.3 13.0 85.7 43.2 122 122 A R T 3<5S+ 0 0 210 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.634 106.1 42.4 -62.8 -19.8 9.6 84.0 43.4 123 123 A V T < 5S- 0 0 68 -3,-1.7 28,-0.4 2,-0.2 27,-0.3 0.051 124.2-103.8-113.7 20.9 8.9 86.1 46.5 124 124 A F T < 5S+ 0 0 116 -3,-2.0 25,-2.8 1,-0.2 2,-0.5 0.792 75.7 138.4 64.8 34.2 10.4 89.3 45.0 125 125 A L E < -M 148 0E 4 -5,-2.4 2,-0.3 23,-0.2 23,-0.2 -0.968 29.4-173.8-106.5 122.9 13.6 89.1 47.0 126 126 A T E -M 147 0E 37 21,-2.6 21,-2.0 -2,-0.5 3,-0.1 -0.839 23.7-170.3-114.8 152.0 16.8 90.0 45.0 127 127 A S S S+ 0 0 2 -2,-0.3 18,-2.0 1,-0.3 2,-0.2 0.269 83.6 27.8-123.0 12.5 20.5 89.8 46.2 128 128 A H - 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