==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 19-JAN-09 2KDW . COMPND 2 MOLECULE: RNA PYROPHOSPHOHYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR H.LI,Y.BI,C.JIN . 164 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9507.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 115 70.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 11 6.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 31 18.9 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 . 2 1.2 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-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 0.6 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 . 14 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 36 22.0 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+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 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 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 PARALLEL BRIDGES PER LADDER . 1 4 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 0 123 0, 0.0 2,-0.4 0, 0.0 39,-0.1 0.000 360.0 360.0 360.0 116.3 0.0 0.7 -2.5 2 2 A I - 0 0 37 6,-0.1 6,-0.2 87,-0.1 2,-0.2 -0.952 360.0-118.0-125.6 138.8 3.1 2.9 -2.4 3 3 A D B >> -A 7 0A 58 4,-3.2 3,-2.0 -2,-0.4 4,-1.1 -0.560 53.9 -84.5 -66.9 152.2 6.3 2.3 -4.4 4 4 A D T 34 S+ 0 0 143 1,-0.3 -1,-0.0 -2,-0.2 -2,-0.0 0.681 121.3 44.4 -36.3 -55.3 9.2 1.7 -2.0 5 5 A D T 34 S- 0 0 114 1,-0.1 -1,-0.3 85,-0.0 88,-0.1 0.483 128.2 -76.9 -87.0 -2.2 10.3 5.2 -1.1 6 6 A G T <4 S+ 0 0 1 -3,-2.0 87,-2.2 1,-0.3 88,-1.0 0.608 87.2 133.8 117.6 20.2 7.0 7.0 -0.5 7 7 A Y E < -Ab 3 94A 33 -4,-1.1 -4,-3.2 85,-0.2 -1,-0.3 -0.851 51.3-135.5-104.7 136.6 5.8 7.5 -4.1 8 8 A R E - b 0 95A 110 86,-2.7 88,-2.4 -2,-0.4 2,-0.3 -0.789 23.6-129.6 -85.1 122.7 2.4 6.7 -5.3 9 9 A P E + b 0 96A 8 0, 0.0 31,-2.1 0, 0.0 2,-0.3 -0.600 42.7 158.4 -72.1 133.2 2.5 4.8 -8.7 10 10 A N E -Cb 39 97A 7 86,-2.0 88,-1.5 -2,-0.3 2,-0.4 -0.949 36.9-136.4-144.5 168.3 0.1 6.5 -11.3 11 11 A V E -Cb 38 98A 0 27,-2.5 27,-2.2 -2,-0.3 2,-0.5 -0.994 16.1-154.3-127.4 131.0 -0.5 6.9 -15.0 12 12 A G E - b 0 99A 0 86,-1.5 88,-2.1 -2,-0.4 2,-0.7 -0.938 11.3-142.0-104.4 128.9 -1.4 10.3 -16.5 13 13 A I E - b 0 100A 1 -2,-0.5 2,-1.1 86,-0.2 88,-0.2 -0.824 8.9-164.2 -88.5 118.5 -3.4 10.3 -19.7 14 14 A V E - b 0 101A 9 86,-2.9 88,-2.5 -2,-0.7 2,-0.3 -0.794 13.2-165.3 -94.5 83.8 -2.3 13.0 -22.2 15 15 A I E - b 0 102A 0 -2,-1.1 8,-2.0 86,-0.2 2,-0.5 -0.625 1.6-162.3 -59.3 133.5 -5.3 13.0 -24.5 16 16 A C E -Db 22 103A 0 86,-2.6 88,-2.0 -2,-0.3 2,-0.7 -0.995 10.9-145.6-118.3 120.8 -4.4 14.8 -27.6 17 17 A N E >> -D 21 0A 17 4,-2.3 4,-2.1 -2,-0.5 3,-1.8 -0.831 27.0-119.5 -83.4 118.1 -7.3 16.0 -29.6 18 18 A R T 34 S+ 0 0 139 -2,-0.7 -1,-0.1 1,-0.3 4,-0.1 0.290 105.2 80.5 -47.8 -1.5 -6.0 15.7 -33.3 19 19 A Q T 34 S- 0 0 120 -2,-0.5 -1,-0.3 2,-0.1 3,-0.1 0.418 123.2 -94.9 -76.6 -4.3 -6.5 19.4 -33.9 20 20 A G T <4 S+ 0 0 7 -3,-1.8 109,-0.5 1,-0.4 2,-0.3 0.752 90.1 116.2 101.8 24.3 -3.1 19.8 -32.1 21 21 A Q E < -DE 17 128A 71 -4,-2.1 -4,-2.3 107,-0.2 -1,-0.4 -0.844 52.1-126.0-133.5 162.6 -4.5 20.5 -28.6 22 22 A V E -DE 16 127A 3 105,-2.1 105,-1.4 -2,-0.3 -6,-0.2 -0.611 29.6 -77.8-118.9 165.2 -4.4 18.7 -25.2 23 23 A M + 0 0 5 -8,-2.0 2,-0.3 -2,-0.2 -1,-0.1 -0.371 50.6 153.5 -53.3 129.4 -6.5 17.3 -22.4 24 24 A W + 0 0 5 -2,-0.1 101,-2.7 11,-0.1 2,-0.3 -0.884 11.6 172.2-158.6 134.9 -7.9 19.8 -20.0 25 25 A A E -HI 34 124B 1 9,-0.7 9,-1.4 99,-0.3 99,-0.3 -0.996 35.5-110.1-147.1 141.7 -11.1 19.3 -17.9 26 26 A R E -HI 33 123B 106 97,-3.5 96,-2.5 -2,-0.3 97,-0.8 -0.565 42.6-114.9 -72.6 135.8 -12.9 21.1 -15.1 27 27 A R E >> - I 0 121B 64 5,-3.2 4,-2.6 -2,-0.2 3,-1.2 -0.666 27.5-115.1 -85.6 124.7 -12.7 19.2 -11.9 28 28 A F T 34 S+ 0 0 65 92,-1.8 -1,-0.1 -2,-0.5 4,-0.0 -0.259 96.3 5.6 -52.3 133.6 -15.9 17.9 -10.4 29 29 A G T 34 S+ 0 0 59 1,-0.1 -1,-0.2 2,-0.0 92,-0.1 0.180 125.9 66.9 73.4 -14.5 -17.0 19.4 -7.1 30 30 A Q T <4 S- 0 0 90 -3,-1.2 -2,-0.2 2,-0.2 -1,-0.1 0.757 83.6-148.9-105.4 -35.6 -14.0 21.9 -7.2 31 31 A H < + 0 0 135 -4,-2.6 2,-0.3 1,-0.3 -3,-0.1 0.716 67.0 90.5 66.7 27.4 -15.1 24.0 -10.2 32 32 A S S S- 0 0 55 -5,-0.5 -5,-3.2 -7,-0.1 -1,-0.3 -0.851 83.8 -86.8-137.8 171.6 -11.4 24.7 -11.2 33 33 A W E -H 26 0B 103 -2,-0.3 2,-0.3 -7,-0.3 -7,-0.2 -0.392 39.6-172.2 -84.1 161.0 -9.2 22.7 -13.6 34 34 A Q E -H 25 0B 24 -9,-1.4 -9,-0.7 -2,-0.1 102,-0.1 -0.991 23.5-113.3-148.1 150.3 -7.0 19.8 -12.8 35 35 A F - 0 0 29 -2,-0.3 2,-0.2 -11,-0.1 -11,-0.1 -0.377 39.4-106.2 -65.8 158.8 -4.4 17.6 -14.4 36 36 A P + 0 0 3 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.599 52.6 138.4 -77.4 154.7 -5.0 13.9 -15.2 37 37 A Q - 0 0 29 -2,-0.2 2,-0.3 -25,-0.1 -25,-0.3 -0.581 23.2-169.8 169.4 139.4 -3.5 11.1 -13.1 38 38 A G E -C 11 0A 6 -27,-2.2 -27,-2.5 -2,-0.2 15,-0.1 -0.987 28.6-109.1-140.9 141.4 -4.9 7.8 -11.9 39 39 A G E -C 10 0A 19 -2,-0.3 2,-0.4 -29,-0.2 -29,-0.3 -0.292 31.5-113.2 -68.5 156.5 -3.4 5.4 -9.4 40 40 A I - 0 0 21 -31,-2.1 -1,-0.1 -39,-0.1 5,-0.1 -0.754 28.3-127.4 -87.8 138.7 -2.0 2.0 -10.4 41 41 A N > - 0 0 77 -2,-0.4 3,-2.5 4,-0.1 2,-0.1 -0.638 42.5 -82.8 -85.7 139.2 -4.0 -1.0 -9.1 42 42 A P T 3 S- 0 0 93 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.254 113.2 -0.9 -55.5 118.5 -1.9 -3.7 -7.3 43 43 A G T 3 S+ 0 0 81 1,-0.3 2,-0.5 -2,-0.1 -2,-0.0 0.375 98.5 126.0 83.7 -0.2 -0.3 -6.0 -9.8 44 44 A E < - 0 0 27 -3,-2.5 -1,-0.3 1,-0.0 -3,-0.0 -0.782 60.6-126.7 -87.6 123.9 -1.9 -4.2 -12.8 45 45 A S > - 0 0 69 -2,-0.5 4,-2.9 -3,-0.1 5,-0.3 -0.249 27.1 -95.6 -71.7 165.1 0.8 -3.3 -15.3 46 46 A A H > S+ 0 0 18 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.811 122.3 44.5 -54.2 -44.1 1.2 0.3 -16.6 47 47 A E H > S+ 0 0 101 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.941 114.8 48.7 -70.9 -40.5 -0.8 -0.1 -19.9 48 48 A Q H > S+ 0 0 78 1,-0.2 4,-1.2 2,-0.2 -2,-0.2 0.936 114.1 46.2 -63.9 -44.3 -3.6 -2.0 -18.1 49 49 A A H X S+ 0 0 0 -4,-2.9 4,-2.8 2,-0.2 -1,-0.2 0.821 105.8 61.1 -66.2 -34.1 -3.7 0.7 -15.4 50 50 A M H X S+ 0 0 0 -4,-2.0 4,-2.8 -5,-0.3 -1,-0.2 0.946 105.6 46.2 -60.7 -44.1 -3.6 3.4 -18.1 51 51 A Y H X S+ 0 0 54 -4,-2.0 4,-1.5 2,-0.2 -1,-0.2 0.779 109.7 56.2 -69.2 -26.3 -6.9 2.1 -19.5 52 52 A R H X S+ 0 0 97 -4,-1.2 4,-2.8 2,-0.2 3,-0.3 0.970 111.5 41.6 -61.7 -52.7 -8.2 2.0 -15.9 53 53 A A H X>S+ 0 0 0 -4,-2.8 4,-3.1 2,-0.2 5,-0.6 0.900 108.9 60.0 -65.3 -38.6 -7.4 5.7 -15.5 54 54 A L H X>S+ 0 0 0 -4,-2.8 6,-1.6 -5,-0.2 4,-1.5 0.916 112.7 39.7 -52.6 -43.8 -8.8 6.4 -19.0 55 55 A F H X5S+ 0 0 81 -4,-1.5 4,-1.0 4,-0.3 60,-0.3 0.940 117.4 47.8 -70.1 -49.1 -12.1 5.0 -17.7 56 56 A E H <5S+ 0 0 83 -4,-2.8 64,-0.5 1,-0.2 60,-0.3 0.828 125.8 26.8 -64.7 -33.9 -11.9 6.6 -14.2 57 57 A E H <5S+ 0 0 5 -4,-3.1 64,-0.3 -5,-0.2 -3,-0.2 0.865 138.0 18.6 -98.8 -45.8 -11.0 10.1 -15.5 58 58 A V H < - 0 0 53 -2,-0.3 2,-2.7 -7,-0.1 3,-2.0 -0.488 40.0 -70.8-117.7-177.9 -12.4 2.4 -22.6 62 62 A R T 3 S+ 0 0 151 1,-0.3 -11,-0.1 -2,-0.2 -10,-0.0 -0.138 128.1 40.4 -68.7 40.7 -9.6 0.2 -24.2 63 63 A K T 3 S+ 0 0 156 -2,-2.7 -1,-0.3 3,-0.0 -3,-0.0 0.362 89.5 81.6-161.2 -18.5 -10.7 1.1 -27.7 64 64 A D S < S+ 0 0 18 -3,-2.0 42,-2.4 41,-0.1 41,-2.1 0.370 96.5 37.6 -88.5 1.1 -11.6 4.8 -27.7 65 65 A V E -F 104 0A 17 -4,-0.3 2,-0.4 40,-0.2 39,-0.2 -0.916 67.1-135.6-152.4 169.5 -8.0 6.0 -28.0 66 66 A R E -F 103 0A 153 37,-2.1 37,-3.1 -2,-0.3 2,-0.3 -0.990 21.3-130.3-142.2 117.5 -4.6 5.2 -29.7 67 67 A I E +F 102 0A 31 -2,-0.4 35,-0.2 35,-0.2 3,-0.1 -0.610 31.3 166.8 -74.0 130.6 -1.2 5.2 -27.9 68 68 A L E - 0 0 88 33,-2.6 2,-0.3 1,-0.4 -1,-0.2 0.682 64.7 -16.6-108.6 -36.0 1.3 7.3 -29.9 69 69 A A E -F 101 0A 25 32,-1.1 32,-2.4 2,-0.0 -1,-0.4 -0.946 53.7-154.9-155.8 170.3 4.1 7.7 -27.3 70 70 A S E -F 100 0A 45 -2,-0.3 30,-0.2 30,-0.3 2,-0.1 -0.957 43.2 -78.0-146.0 164.3 4.8 7.4 -23.5 71 71 A T - 0 0 2 28,-2.4 76,-0.1 -2,-0.3 3,-0.0 -0.389 42.3-123.9 -63.6 140.2 7.4 9.0 -21.2 72 72 A R S S- 0 0 188 -2,-0.1 2,-0.3 2,-0.0 -1,-0.1 0.786 89.2 -3.2 -64.8 -29.5 10.8 7.3 -21.6 73 73 A N S S- 0 0 109 24,-0.1 2,-0.5 0, 0.0 24,-0.0 -0.893 101.3 -65.0-146.4 174.2 10.9 6.5 -17.9 74 74 A W - 0 0 70 -2,-0.3 24,-0.2 24,-0.1 2,-0.1 -0.537 47.8-148.1 -65.5 115.5 8.7 7.3 -14.8 75 75 A L E +G 97 0A 28 22,-2.0 22,-3.1 -2,-0.5 2,-0.3 -0.462 24.1 175.9 -69.7 156.0 8.6 11.0 -14.1 76 76 A R E +G 96 0A 158 20,-0.2 2,-0.3 -2,-0.1 20,-0.2 -0.982 13.5 179.6-160.8 159.0 8.2 11.9 -10.5 77 77 A Y E -G 95 0A 21 18,-0.8 18,-1.1 -2,-0.3 2,-0.4 -0.947 30.5-101.7-159.9 170.0 8.2 14.9 -8.2 78 78 A K E -G 94 0A 130 -2,-0.3 16,-0.3 16,-0.2 3,-0.1 -0.769 28.6-126.3-109.4 129.9 7.8 15.7 -4.7 79 79 A L - 0 0 9 14,-2.7 5,-0.1 -2,-0.4 2,-0.1 -0.535 34.0-105.6 -70.8 143.5 4.6 17.1 -3.1 80 80 A P >> - 0 0 41 0, 0.0 3,-2.3 0, 0.0 4,-1.5 -0.390 39.5-102.2 -63.0 155.3 4.9 20.3 -1.1 81 81 A K T 34 S+ 0 0 144 1,-0.3 -2,-0.1 2,-0.2 0, 0.0 0.745 120.1 51.6 -49.8 -45.6 4.8 19.7 2.7 82 82 A R T 34 S+ 0 0 230 1,-0.2 -1,-0.3 3,-0.0 -3,-0.0 0.603 113.0 46.4 -71.8 -18.7 1.2 20.8 3.2 83 83 A L T <4 S+ 0 0 70 -3,-2.3 -2,-0.2 10,-0.1 -1,-0.2 0.600 84.4 107.7-102.5 -18.2 0.0 18.5 0.4 84 84 A V S < S- 0 0 13 -4,-1.5 9,-0.2 1,-0.1 7,-0.0 -0.327 71.9-133.5 -52.0 140.5 2.0 15.4 1.6 85 85 A R - 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0 0 15 1,-0.1 3,-2.8 -90,-0.0 4,-2.4 -0.989 39.7 -29.9-179.8-168.8 -14.3 12.0 -28.8 108 108 A D T 34 S+ 0 0 88 -2,-0.3 -1,-0.1 1,-0.3 -2,-0.0 0.730 125.5 58.5 -29.9 -41.3 -16.4 14.4 -26.8 109 109 A A T 34 S+ 0 0 88 1,-0.2 -1,-0.3 3,-0.0 -3,-0.0 0.749 117.1 31.6 -68.7 -27.6 -19.6 12.5 -27.8 110 110 A E T <4 S+ 0 0 123 -3,-2.8 -2,-0.2 -46,-0.1 -1,-0.2 0.594 94.9 102.6-106.9 -23.4 -18.3 9.2 -26.3 111 111 A I < + 0 0 19 -4,-2.4 -52,-0.2 1,-0.2 -51,-0.1 -0.480 42.5 170.2 -56.2 132.3 -16.3 10.8 -23.4 112 112 A N - 0 0 89 -54,-1.5 2,-1.2 -2,-0.2 -53,-0.3 0.663 13.3-173.8-122.2 -25.9 -18.5 10.3 -20.4 113 113 A M S S+ 0 0 6 -55,-1.9 8,-0.5 1,-0.2 -54,-0.2 0.237 74.4 73.9 41.0 -7.1 -16.3 11.4 -17.3 114 114 A Q > + 0 0 116 -2,-1.2 3,-0.9 -56,-0.2 -1,-0.2 0.060 58.7 106.6-121.7 22.0 -19.1 10.2 -14.9 115 115 A T T 3 S+ 0 0 49 -60,-0.3 -1,-0.2 1,-0.2 -59,-0.1 0.803 76.0 55.7 -60.8 -37.5 -18.5 6.5 -15.3 116 116 A S T 3 S- 0 0 31 -60,-0.3 2,-2.0 -3,-0.2 -1,-0.2 0.319 99.0-132.2 -88.9 2.7 -16.9 6.2 -11.9 117 117 A S S < S+ 0 0 107 -3,-0.9 -1,-0.1 1,-0.1 -2,-0.1 -0.158 103.8 40.2 66.3 -36.3 -19.8 7.7 -9.9 118 118 A T S S+ 0 0 116 -2,-2.0 -1,-0.1 -62,-0.0 -4,-0.1 -0.679 88.4 160.0-131.5 69.0 -17.3 9.9 -8.0 119 119 A P - 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