==== 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 21-DEC-93 2PRD . COMPND 2 MOLECULE: PYROPHOSPHATE PHOSPHOHYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR A.TEPLYAKOV . 174 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8750.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 116 66.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 2.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 43 24.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 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 . 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 . 11 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 27 15.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 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 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 1 1 1 2 0 0 1 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 . 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 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 A 0 0 128 0, 0.0 2,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0-100.6 0.8 59.3 -16.3 2 2 A N > - 0 0 60 1,-0.0 3,-1.6 35,-0.0 4,-0.1 -0.666 360.0-169.8-161.4 87.8 -0.6 55.8 -16.1 3 3 A L G > S+ 0 0 30 1,-0.3 3,-1.6 -2,-0.2 -1,-0.0 0.793 80.0 68.4 -58.2 -29.5 0.9 54.3 -13.0 4 4 A K G 3 S+ 0 0 60 1,-0.3 56,-2.6 55,-0.1 57,-0.3 0.609 103.1 44.7 -68.3 -14.1 -0.4 50.9 -13.9 5 5 A S G < S+ 0 0 61 -3,-1.6 -1,-0.3 54,-0.2 -2,-0.2 0.211 79.7 124.7-116.3 11.8 2.0 50.7 -16.8 6 6 A L S < S- 0 0 44 -3,-1.6 2,-0.1 1,-0.1 11,-0.1 -0.296 76.7 -84.9 -62.7 158.2 5.1 51.9 -15.2 7 7 A P - 0 0 88 0, 0.0 -1,-0.1 0, 0.0 53,-0.1 -0.413 29.4-132.5 -66.6 146.2 8.1 49.5 -15.6 8 8 A V - 0 0 23 1,-0.2 9,-2.4 52,-0.2 3,-0.1 0.610 57.7 -99.1 -76.1 -17.9 8.2 46.8 -12.9 9 9 A G > - 0 0 19 7,-0.2 3,-1.2 1,-0.1 -1,-0.2 0.046 17.8 -97.1 111.2 148.9 11.9 47.4 -12.4 10 10 A D T 3 S+ 0 0 172 1,-0.3 -1,-0.1 -3,-0.1 6,-0.1 0.633 117.2 54.0 -69.2 -21.9 15.3 46.0 -13.3 11 11 A K T >> S+ 0 0 115 4,-0.3 4,-2.2 -3,-0.1 3,-0.7 0.160 92.8 167.4-100.8 11.8 15.8 43.9 -10.2 12 12 A A T <4 + 0 0 27 -3,-1.2 4,-0.1 1,-0.3 -3,-0.1 -0.457 51.1 23.2 -72.5 146.0 12.5 42.2 -10.7 13 13 A P T 34 S+ 0 0 11 0, 0.0 -1,-0.3 0, 0.0 76,-0.2 -0.999 129.7 43.0 -85.3 -6.2 11.4 39.8 -9.5 14 14 A E T <4 S+ 0 0 94 -3,-0.7 75,-1.6 1,-0.2 2,-0.4 0.848 130.2 22.1 -63.6 -41.2 13.5 40.1 -6.4 15 15 A V E < S-A 88 0A 27 -4,-2.2 -4,-0.3 73,-0.2 2,-0.3 -0.999 83.3-179.6-130.1 121.1 13.0 43.8 -6.1 16 16 A V E -A 87 0A 1 71,-2.7 71,-3.1 -2,-0.4 2,-0.2 -0.868 31.0-108.3-123.2 162.4 10.0 45.4 -7.8 17 17 A H E -A 86 0A 53 -9,-2.4 2,-0.3 -2,-0.3 69,-0.2 -0.649 36.0-170.6 -81.9 144.1 8.4 48.8 -8.3 18 18 A M E -A 85 0A 1 67,-1.4 67,-2.4 -2,-0.2 2,-0.6 -0.986 19.3-142.1-138.4 136.1 5.1 49.3 -6.3 19 19 A V E -AB 84 57A 0 38,-2.7 38,-1.5 -2,-0.3 2,-0.3 -0.915 26.5-135.5 -97.6 120.1 2.6 52.2 -6.6 20 20 A I E + B 0 56A 0 63,-2.4 62,-3.5 -2,-0.6 36,-0.3 -0.638 32.8 166.9 -80.5 132.5 1.3 53.0 -3.1 21 21 A E E + 0 0 12 34,-3.6 9,-0.2 -2,-0.3 35,-0.2 0.717 67.9 31.7-109.6 -47.8 -2.4 53.5 -2.8 22 22 A V E S- B 0 55A 0 33,-2.5 33,-2.9 7,-0.1 -1,-0.3 -0.968 76.1-136.0-121.5 118.2 -3.0 53.3 0.9 23 23 A P > - 0 0 18 0, 0.0 3,-1.9 0, 0.0 28,-0.4 -0.242 36.0 -96.8 -62.4 150.2 -0.5 54.5 3.5 24 24 A R T 3 S+ 0 0 69 1,-0.3 30,-0.1 28,-0.1 3,-0.1 -0.463 113.6 30.0 -62.1 138.8 0.0 52.4 6.6 25 25 A G T 3 S+ 0 0 48 26,-2.8 2,-0.3 1,-0.3 -1,-0.3 0.468 95.3 126.6 89.2 0.2 -2.2 53.7 9.4 26 26 A S < - 0 0 24 -3,-1.9 25,-2.0 25,-0.2 -1,-0.3 -0.707 44.3-172.7-102.0 145.1 -4.8 55.0 7.1 27 27 A G + 0 0 24 -2,-0.3 18,-2.4 23,-0.2 2,-0.8 0.316 66.0 98.5-107.4 0.4 -8.5 54.2 7.1 28 28 A N E -G 44 0B 63 16,-0.2 2,-1.4 -5,-0.1 16,-0.2 -0.817 67.7-150.5 -94.6 104.4 -9.0 56.1 3.8 29 29 A K E +G 43 0B 16 14,-2.1 13,-2.1 -2,-0.8 14,-1.7 -0.671 23.5 179.5 -83.9 92.9 -9.1 53.4 1.1 30 30 A Y E -G 41 0B 64 -2,-1.4 2,-0.3 -9,-0.2 11,-0.2 -0.491 7.2-171.2 -88.6 159.2 -7.7 55.1 -2.0 31 31 A E E -G 40 0B 59 9,-2.6 9,-3.3 -2,-0.2 2,-0.4 -0.980 27.5-113.0-150.1 148.0 -7.2 53.5 -5.4 32 32 A Y E -G 39 0B 14 -2,-0.3 7,-0.2 7,-0.2 3,-0.1 -0.664 27.6-156.2 -86.4 129.3 -5.5 54.5 -8.6 33 33 A D E >> -G 38 0B 32 5,-2.5 4,-2.9 -2,-0.4 5,-1.4 -0.915 10.3-171.0-108.2 98.4 -8.0 55.0 -11.4 34 34 A P T 45S+ 0 0 44 0, 0.0 -1,-0.1 0, 0.0 5,-0.0 0.848 87.9 56.0 -56.1 -39.7 -6.5 54.6 -14.8 35 35 A D T 45S+ 0 0 156 1,-0.2 -3,-0.0 -3,-0.1 -2,-0.0 0.835 120.3 29.2 -61.6 -42.5 -9.7 55.8 -16.5 36 36 A L T 45S- 0 0 119 -3,-0.4 -1,-0.2 2,-0.2 3,-0.1 0.611 102.4-137.0 -89.6 -22.4 -9.6 59.1 -14.5 37 37 A G T <5 + 0 0 39 -4,-2.9 2,-0.3 1,-0.3 -2,-0.1 0.848 69.9 88.6 67.4 38.1 -5.8 58.9 -14.3 38 38 A A E - 0 0 11 4,-5.1 3,-1.6 -2,-0.4 6,-0.1 -0.215 38.5 -97.9 -80.4 177.0 -3.1 38.8 -11.8 64 64 A E T 3 S+ 0 0 148 1,-0.3 -1,-0.1 2,-0.1 38,-0.0 0.695 124.5 63.7 -68.4 -16.8 -5.5 35.9 -12.7 65 65 A D T 3 S- 0 0 88 2,-0.2 -1,-0.3 3,-0.1 37,-0.0 0.251 120.4-107.9 -89.8 6.8 -8.3 38.3 -11.6 66 66 A G S < S+ 0 0 49 -3,-1.6 -2,-0.1 1,-0.3 -1,-0.0 0.367 88.9 100.8 82.3 -5.0 -7.4 40.7 -14.4 67 67 A D S S- 0 0 92 1,-0.2 -4,-5.1 -5,-0.0 -1,-0.3 -0.670 83.5 -89.8-107.4 165.8 -5.9 43.4 -12.0 68 68 A P - 0 0 15 0, 0.0 2,-0.4 0, 0.0 -6,-0.2 -0.226 60.0 -81.9 -62.0 164.7 -2.2 44.0 -11.4 69 69 A L - 0 0 2 -11,-0.5 -11,-2.8 96,-0.1 2,-0.2 -0.584 50.2-144.8 -73.6 127.5 -0.7 42.0 -8.5 70 70 A D E +C 57 0A 30 -2,-0.4 35,-2.3 33,-0.4 2,-0.3 -0.576 21.4 178.4 -85.9 157.4 -1.5 43.7 -5.1 71 71 A G E -Cd 56 105A 0 -15,-2.3 -15,-2.2 33,-0.3 2,-0.4 -0.990 27.8-130.9-161.4 160.4 0.8 43.8 -2.1 72 72 A L E -Cd 55 106A 2 33,-2.6 35,-2.5 -2,-0.3 2,-0.4 -0.956 24.7-154.4-114.8 124.5 1.4 45.0 1.5 73 73 A V E -Cd 54 107A 0 -19,-3.0 -19,-1.7 -2,-0.4 2,-0.5 -0.871 10.9-140.5-107.2 137.4 4.7 46.8 2.4 74 74 A L E + d 0 108A 23 33,-2.5 35,-1.6 -2,-0.4 2,-0.3 -0.799 36.0 173.2 -89.2 122.7 6.3 46.9 5.8 75 75 A S - 0 0 14 -2,-0.5 4,-0.0 33,-0.2 37,-0.0 -0.921 43.3-135.7-132.5 160.3 7.7 50.4 6.2 76 76 A T S S+ 0 0 42 -2,-0.3 -1,-0.1 1,-0.3 36,-0.0 0.850 100.8 21.4 -76.6 -42.3 9.4 52.5 9.0 77 77 A Y S S- 0 0 156 -3,-0.1 -1,-0.3 0, 0.0 -53,-0.1 -0.977 97.1-101.9-128.8 136.5 7.2 55.6 8.1 78 78 A P - 0 0 68 0, 0.0 2,-0.1 0, 0.0 -2,-0.0 -0.225 38.1-139.2 -57.3 146.3 3.9 55.4 6.2 79 79 A L - 0 0 45 -57,-0.1 -4,-0.0 1,-0.0 6,-0.0 -0.117 16.5-107.5 -94.5-169.7 4.2 56.4 2.5 80 80 A L > - 0 0 118 -57,-0.1 3,-1.5 -58,-0.1 -60,-0.2 -0.919 36.0 -89.5-124.6 154.1 1.8 58.5 0.5 81 81 A P T 3 S+ 0 0 39 0, 0.0 -60,-0.2 0, 0.0 3,-0.1 -0.375 108.6 19.8 -59.9 137.1 -0.7 57.6 -2.2 82 82 A G T 3 S+ 0 0 29 -62,-3.5 2,-0.2 1,-0.3 -61,-0.1 0.431 88.8 124.6 86.1 0.9 0.8 57.7 -5.7 83 83 A V < - 0 0 57 -3,-1.5 -63,-2.4 -63,-0.2 2,-0.4 -0.639 55.3-131.3 -92.5 152.8 4.5 57.4 -4.9 84 84 A V E +A 19 0A 62 -2,-0.2 2,-0.4 -65,-0.2 -65,-0.2 -0.892 27.8 178.3-101.9 131.0 6.6 54.7 -6.4 85 85 A V E -A 18 0A 21 -67,-2.4 -67,-1.4 -2,-0.4 2,-0.5 -0.980 31.4-120.2-135.7 147.0 8.9 52.6 -4.1 86 86 A E E -A 17 0A 68 -2,-0.4 24,-2.2 -69,-0.2 25,-0.5 -0.774 36.7-164.4 -83.5 127.8 11.2 49.7 -4.7 87 87 A V E -AE 16 109A 0 -71,-3.1 -71,-2.7 -2,-0.5 2,-0.6 -0.957 17.3-136.8-121.5 132.7 10.0 46.8 -2.6 88 88 A R E -AE 15 108A 30 20,-2.6 20,-1.3 -2,-0.4 2,-0.5 -0.785 24.7-133.4 -90.3 119.3 11.8 43.7 -1.7 89 89 A V E + E 0 107A 1 -75,-1.6 18,-0.2 -2,-0.6 73,-0.1 -0.552 38.6 156.0 -73.8 119.9 9.6 40.6 -2.0 90 90 A V E - 0 0 0 16,-2.3 31,-0.9 -2,-0.5 68,-0.4 0.525 57.9 -19.6-123.5 -4.1 9.7 38.2 0.9 91 91 A G E - E 0 106A 0 15,-1.1 15,-2.1 67,-0.2 2,-0.3 -0.991 53.2-106.1 179.7-179.5 6.4 36.3 0.9 92 92 A L E -FE 156 105A 8 64,-2.3 64,-2.2 -2,-0.3 2,-0.5 -0.986 10.5-151.6-133.8 147.8 2.7 35.8 -0.1 93 93 A L E -FE 155 104A 0 11,-2.7 11,-2.9 -2,-0.3 2,-0.4 -0.985 19.4-156.4-117.7 117.3 -0.6 36.0 1.7 94 94 A L E +FE 154 103A 34 60,-2.8 59,-1.8 -2,-0.5 60,-1.4 -0.833 23.3 159.0 -94.7 136.8 -3.1 33.7 0.2 95 95 A M E -FE 152 102A 4 7,-2.8 7,-1.4 -2,-0.4 2,-0.4 -0.972 35.8-135.4-153.5 162.1 -6.8 34.5 0.7 96 96 A E E +FE 151 101A 97 55,-3.2 55,-3.3 -2,-0.3 5,-0.3 -0.992 30.5 178.0-119.6 128.4 -10.3 33.9 -0.8 97 97 A D E -F 150 0A 24 3,-4.2 53,-0.3 -2,-0.4 3,-0.1 -0.702 48.4 -82.2-126.0 174.1 -12.6 36.9 -1.2 98 98 A E S S+ 0 0 49 51,-2.0 52,-0.1 -2,-0.2 50,-0.1 0.899 130.7 43.4 -34.7 -63.1 -16.1 37.5 -2.5 99 99 A K S S- 0 0 182 50,-0.2 2,-0.3 1,-0.1 -1,-0.2 0.843 123.7 -91.5 -56.3 -45.1 -14.8 37.6 -6.1 100 100 A G - 0 0 27 -3,-0.1 -3,-4.2 -35,-0.0 -1,-0.1 -0.970 66.5 -8.6 167.3-151.3 -12.4 34.6 -5.7 101 101 A G E + E 0 96A 50 -2,-0.3 2,-0.3 -5,-0.3 -5,-0.2 -0.309 58.6 174.9 -71.1 163.6 -9.0 33.4 -4.9 102 102 A D E - E 0 95A 32 -7,-1.4 -7,-2.8 -3,-0.0 2,-0.4 -0.933 22.3-159.0-171.5 150.7 -6.2 36.0 -4.4 103 103 A A E - E 0 94A 12 -2,-0.3 -33,-0.4 -9,-0.2 2,-0.4 -0.962 12.0-159.0-137.7 128.8 -2.6 36.2 -3.3 104 104 A K E - E 0 93A 8 -11,-2.9 -11,-2.7 -2,-0.4 -33,-0.3 -0.887 19.7-123.5-110.7 144.8 -1.0 39.4 -2.0 105 105 A V E -dE 71 92A 1 -35,-2.3 -33,-2.6 -2,-0.4 2,-0.5 -0.590 17.7-148.2 -83.1 142.9 2.8 40.1 -2.1 106 106 A I E +dE 72 91A 2 -15,-2.1 -16,-2.3 -2,-0.2 -15,-1.1 -0.975 31.3 162.1-109.8 125.6 4.4 40.9 1.3 107 107 A G E -dE 73 89A 1 -35,-2.5 -33,-2.5 -2,-0.5 2,-0.3 -0.873 31.4-136.8-141.5 176.6 7.4 43.2 0.9 108 108 A V E -dE 74 88A 0 -20,-1.3 -20,-2.6 -2,-0.3 2,-0.3 -0.951 42.7 -90.4-130.3 151.0 9.7 45.6 2.7 109 109 A V E > - E 0 87A 20 -35,-1.6 3,-0.7 -2,-0.3 -22,-0.2 -0.480 38.5-150.3 -60.9 120.6 10.9 49.0 1.7 110 110 A A T 3 S+ 0 0 14 -24,-2.2 2,-0.3 -2,-0.3 -1,-0.2 0.790 87.6 53.1 -66.3 -35.3 14.2 48.0 -0.1 111 111 A E T 3 S+ 0 0 144 -25,-0.5 2,-0.4 3,-0.0 -1,-0.3 -0.286 83.6 96.5 -99.8 48.8 16.0 51.2 0.7 112 112 A D X - 0 0 17 -3,-0.7 3,-1.7 -2,-0.3 4,-0.1 -0.952 57.9-157.2-136.4 109.6 15.6 51.3 4.5 113 113 A Q G > S+ 0 0 168 -2,-0.4 3,-0.9 1,-0.3 4,-0.2 0.648 89.0 71.3 -59.2 -22.9 18.5 49.9 6.5 114 114 A R G 3 S+ 0 0 147 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.631 104.8 40.4 -68.8 -13.0 16.2 49.3 9.4 115 115 A L G X S+ 0 0 20 -3,-1.7 3,-2.4 -6,-0.2 -1,-0.2 0.320 76.0 109.4-116.6 4.9 14.6 46.5 7.5 116 116 A D T < S+ 0 0 78 -3,-0.9 -2,-0.1 1,-0.3 -1,-0.1 0.663 74.1 65.7 -53.7 -20.2 17.6 44.9 5.8 117 117 A H T 3 S+ 0 0 120 -4,-0.2 2,-0.9 -3,-0.1 -1,-0.3 0.567 78.2 87.7 -81.5 -12.5 17.1 41.9 8.1 118 118 A I < + 0 0 9 -3,-2.4 3,-0.1 1,-0.2 -10,-0.1 -0.828 43.8 141.7 -92.5 103.5 13.7 40.9 6.6 119 119 A Q + 0 0 84 -2,-0.9 2,-0.3 1,-0.3 -1,-0.2 0.577 63.0 19.1-120.8 -17.7 14.6 38.6 3.8 120 120 A D S > S- 0 0 38 -3,-0.2 3,-1.7 37,-0.1 -1,-0.3 -0.875 86.2 -96.3-147.8 171.1 12.0 35.8 3.9 121 121 A I G > S+ 0 0 19 -31,-0.9 3,-2.1 1,-0.3 -30,-0.1 0.794 119.3 65.0 -61.9 -32.4 8.5 35.4 5.4 122 122 A G G 3 S+ 0 0 65 1,-0.3 -1,-0.3 -32,-0.2 4,-0.1 0.607 95.4 62.0 -67.0 -11.1 9.9 33.6 8.4 123 123 A D G < S+ 0 0 70 -3,-1.7 -1,-0.3 -33,-0.1 -2,-0.2 0.537 78.8 92.4 -90.2 -15.3 11.6 37.0 9.2 124 124 A V S < S- 0 0 2 -3,-2.1 5,-0.1 -4,-0.2 -6,-0.0 -0.787 92.1-113.9 -81.8 120.8 8.2 38.9 9.6 125 125 A P >> - 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