==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/RNA 03-APR-13 4JZU . COMPND 2 MOLECULE: RNA PYROPHOSPHOHYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS SUBSP. SUBTILIS; . AUTHOR J.PITON,V.LARUE,Y.THILLIER,A.DORLEANS,O.PELLEGRINI,I.LI DE L . 308 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16602.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 198 64.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 6.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 91 29.5 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 . 4 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.3 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-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 . 20 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 43 14.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 1 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 0 0 6 3 3 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 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 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 0 143 0, 0.0 2,-0.4 0, 0.0 14,-0.2 0.000 360.0 360.0 360.0 161.0 22.1 4.6 8.8 2 2 A Y E -A 14 0A 83 12,-2.6 12,-2.8 2,-0.0 2,-0.4 -0.899 360.0-167.5-110.8 138.7 23.5 7.1 11.4 3 3 A E E +A 13 0A 120 -2,-0.4 2,-0.3 10,-0.2 10,-0.2 -0.992 21.6 139.3-129.3 136.6 23.1 6.7 15.2 4 4 A F E -A 12 0A 30 8,-2.0 8,-3.2 -2,-0.4 2,-0.3 -0.971 49.5 -97.7-163.7 163.4 23.8 9.4 17.8 5 5 A K E -A 11 0A 126 -2,-0.3 137,-0.3 6,-0.2 6,-0.2 -0.684 40.0-135.8 -87.7 147.0 22.5 10.9 21.0 6 6 A D > - 0 0 9 4,-2.7 3,-1.6 -2,-0.3 135,-0.1 -0.150 35.7 -81.3 -91.2-172.4 20.5 14.1 20.7 7 7 A Y T 3 S+ 0 0 104 130,-0.4 131,-0.1 1,-0.3 -2,-0.0 0.794 132.8 42.0 -63.8 -30.6 20.6 17.3 22.8 8 8 A Y T 3 S- 0 0 140 129,-0.1 -1,-0.3 2,-0.0 129,-0.0 0.118 123.2-102.8-103.7 19.3 18.5 15.8 25.6 9 9 A Q S < S+ 0 0 122 -3,-1.6 -2,-0.1 1,-0.2 2,-0.1 0.558 75.2 138.6 69.9 16.6 20.4 12.4 25.5 10 10 A N - 0 0 32 1,-0.0 -4,-2.7 -5,-0.0 2,-0.4 -0.416 58.2-111.8 -76.2 163.3 17.7 10.4 23.5 11 11 A T E -AB 5 89A 35 78,-1.8 78,-3.8 -6,-0.2 2,-0.4 -0.862 32.4-163.1 -99.5 134.9 19.1 8.1 20.8 12 12 A V E -AB 4 88A 0 -8,-3.2 -8,-2.0 -2,-0.4 2,-0.4 -0.960 8.0-162.7-117.5 140.9 18.3 9.0 17.3 13 13 A Q E -AB 3 87A 30 74,-2.3 74,-2.7 -2,-0.4 2,-0.4 -0.984 14.2-169.1-122.0 128.0 18.6 6.8 14.2 14 14 A L E +AB 2 86A 0 -12,-2.8 -12,-2.6 -2,-0.4 2,-0.3 -0.978 9.6 171.4-127.3 136.4 18.6 8.5 10.9 15 15 A S E - B 0 85A 7 70,-2.6 70,-2.6 -2,-0.4 4,-0.1 -0.994 31.8-152.4-143.4 145.6 18.4 7.1 7.3 16 16 A F S S+ 0 0 44 -2,-0.3 70,-0.1 68,-0.2 -1,-0.1 0.305 70.1 105.6-100.9 15.1 18.0 8.5 3.8 17 17 A D S S- 0 0 112 68,-0.1 2,-0.6 1,-0.1 -2,-0.1 -0.262 89.2 -81.3 -78.6 171.6 16.2 5.3 2.7 18 18 A D S S- 0 0 138 1,-0.2 -1,-0.1 2,-0.1 -2,-0.1 -0.715 93.2 -38.4 -82.6 118.6 12.3 5.3 2.1 19 19 A Q S S+ 0 0 58 -2,-0.6 -1,-0.2 1,-0.1 -3,-0.1 0.819 78.3 164.8 32.2 60.3 10.4 4.9 5.4 20 20 A P S S+ 0 0 57 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.796 72.6 38.3 -74.2 -29.5 12.9 2.4 6.9 21 21 A F S S+ 0 0 44 1,-0.3 2,-0.3 -6,-0.1 -2,-0.1 0.837 130.4 4.2 -89.2 -35.8 11.7 2.6 10.5 22 22 A S - 0 0 28 1,-0.1 -1,-0.3 75,-0.0 0, 0.0 -0.982 42.1-153.5-153.9 141.4 7.9 2.9 9.9 23 23 A D S S+ 0 0 145 -2,-0.3 -1,-0.1 1,-0.3 -4,-0.0 0.611 106.1 45.0 -81.4 -18.8 5.5 2.9 7.0 24 24 A S S S- 0 0 88 36,-0.1 -1,-0.3 -3,-0.0 72,-0.1 -0.671 79.2-174.6-127.3 74.5 3.3 5.1 9.2 25 25 A P - 0 0 9 0, 0.0 72,-0.2 0, 0.0 70,-0.0 -0.432 16.6-152.1 -66.3 144.3 5.5 7.8 10.7 26 26 A K S S+ 0 0 78 70,-1.1 29,-2.7 28,-0.1 2,-0.3 0.401 73.3 48.6-100.4 1.7 3.5 9.9 13.2 27 27 A H E -Cd 54 97A 29 69,-1.4 71,-2.4 27,-0.3 2,-0.3 -0.960 60.7-159.9-138.6 155.5 5.7 13.1 12.7 28 28 A V E -Cd 53 98A 0 25,-2.7 25,-2.0 -2,-0.3 2,-0.4 -0.956 0.8-165.1-131.5 152.4 7.1 15.2 9.9 29 29 A W E -Cd 52 99A 0 69,-2.2 71,-2.5 -2,-0.3 2,-0.6 -0.993 11.5-158.3-135.8 128.8 9.9 17.7 9.7 30 30 A V E - d 0 100A 0 21,-3.3 2,-0.5 -2,-0.4 71,-0.2 -0.891 8.6-155.0-122.5 113.2 10.2 20.1 6.8 31 31 A I E - d 0 101A 0 69,-2.8 71,-3.1 -2,-0.6 2,-0.4 -0.655 26.3-161.2 -79.8 121.2 13.4 21.8 5.7 32 32 A C E -Ed 39 102A 0 7,-0.6 7,-2.2 -2,-0.5 2,-0.4 -0.913 16.7-172.4-114.0 137.6 12.3 24.9 3.9 33 33 A R E -Ed 38 103A 65 69,-2.4 71,-3.1 -2,-0.4 2,-0.5 -0.993 3.4-173.2-126.1 131.3 14.1 27.1 1.5 34 34 A F E > S-E 37 0A 65 3,-2.9 3,-1.6 -2,-0.4 2,-0.2 -0.964 70.5 -49.0-122.2 102.9 12.7 30.4 0.2 35 35 A G T 3 S- 0 0 59 -2,-0.5 69,-0.1 69,-0.4 70,-0.0 -0.487 123.5 -22.4 66.4-127.9 15.0 31.8 -2.5 36 36 A G T 3 S+ 0 0 39 -2,-0.2 2,-0.3 -3,-0.1 -1,-0.3 0.093 123.9 89.5 -99.0 22.6 18.5 31.6 -1.1 37 37 A K E < S-E 34 0A 77 -3,-1.6 -3,-2.9 87,-0.0 2,-0.3 -0.916 75.4-119.4-124.3 149.7 17.3 31.6 2.5 38 38 A W E -EF 33 122A 16 84,-3.1 84,-2.7 -2,-0.3 2,-0.6 -0.663 25.8-148.3 -80.8 139.2 16.2 29.1 5.1 39 39 A L E +EF 32 121A 0 -7,-2.2 -7,-0.6 -2,-0.3 2,-0.2 -0.937 27.0 163.7-111.9 119.3 12.6 29.5 6.3 40 40 A L E - F 0 120A 0 80,-3.2 80,-2.6 -2,-0.6 2,-0.3 -0.698 28.6-133.0-119.7 174.6 12.0 28.5 9.9 41 41 A T E -GF 49 119A 0 8,-3.0 8,-2.2 78,-0.2 2,-0.6 -0.790 20.3-122.0-119.3 170.6 9.2 29.1 12.4 42 42 A E E -G 48 0A 50 76,-1.0 75,-2.7 30,-0.3 76,-0.3 -0.909 25.4-146.6-115.4 100.8 9.6 30.2 16.0 43 43 A H E > -GF 47 116A 6 4,-2.6 4,-1.9 -2,-0.6 73,-0.3 -0.520 16.4-127.1 -69.3 136.8 8.0 27.5 18.2 44 44 A E T 4 S+ 0 0 102 71,-2.7 -1,-0.1 1,-0.2 72,-0.1 0.698 104.4 20.9 -56.2 -32.8 6.4 29.3 21.3 45 45 A D T 4 S+ 0 0 126 70,-0.3 -1,-0.2 2,-0.1 71,-0.1 0.781 131.8 39.4-100.8 -46.9 8.2 26.9 23.8 46 46 A R T 4 S- 0 0 88 1,-0.2 2,-0.3 90,-0.1 -2,-0.2 0.814 93.0-140.4 -80.2 -34.9 11.1 25.5 21.7 47 47 A G E < +G 43 0A 8 -4,-1.9 -4,-2.6 89,-0.1 88,-0.3 -0.713 57.2 7.9 104.1-157.6 12.4 28.5 19.7 48 48 A Y E S+Gh 42 135A 46 86,-2.7 88,-2.7 -6,-0.3 2,-0.3 -0.367 74.5 140.7 -65.1 132.7 13.6 28.6 16.1 49 49 A E E -G 41 0A 2 -8,-2.2 -8,-3.0 86,-0.2 71,-0.1 -0.977 57.9 -90.6-161.2 157.8 13.2 25.4 14.1 50 50 A F - 0 0 0 -2,-0.3 -10,-0.2 -10,-0.2 -19,-0.2 -0.440 64.1 -94.4 -65.0 147.8 12.2 24.1 10.7 51 51 A P + 0 0 0 0, 0.0 -21,-3.3 0, 0.0 2,-0.3 -0.264 67.7 118.7 -66.9 157.2 8.4 23.5 10.7 52 52 A G E +C 29 0A 4 -23,-0.2 2,-0.3 16,-0.2 -23,-0.2 -0.970 17.6 151.3 170.2-175.1 6.9 20.2 11.5 53 53 A G E -C 28 0A 17 -25,-2.0 -25,-2.7 -2,-0.3 2,-0.1 -0.985 47.9 -12.0 158.8-158.0 4.7 18.3 13.8 54 54 A K E -C 27 0A 114 -2,-0.3 2,-0.6 -27,-0.2 -27,-0.3 -0.368 46.7-132.5 -78.3 148.0 2.3 15.4 14.1 55 55 A V - 0 0 24 -29,-2.7 6,-0.1 -2,-0.1 -1,-0.1 -0.897 29.8-135.7 -94.2 118.3 0.8 13.2 11.3 56 56 A E > - 0 0 96 -2,-0.6 3,-2.5 4,-0.2 8,-0.1 -0.399 16.5-118.1 -77.2 149.1 -3.0 12.9 11.9 57 57 A P T 3 S+ 0 0 122 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.887 121.2 49.3 -57.2 -29.7 -4.7 9.5 11.5 58 58 A M T 3 S+ 0 0 72 154,-0.0 2,-0.3 2,-0.0 154,-0.1 0.176 108.1 71.5 -90.5 14.2 -6.8 11.1 8.8 59 59 A E S < S- 0 0 41 -3,-2.5 2,-0.2 4,-0.0 -4,-0.0 -0.950 70.9-140.7-127.0 149.1 -3.6 12.6 7.1 60 60 A C > - 0 0 68 -2,-0.3 4,-1.7 1,-0.1 3,-0.3 -0.639 42.5 -99.7 -96.2 163.6 -0.8 10.9 5.2 61 61 A A H > S+ 0 0 10 -2,-0.2 4,-2.5 1,-0.2 5,-0.1 0.854 121.7 52.7 -54.4 -41.1 2.7 12.4 6.0 62 62 A E H > S+ 0 0 96 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.881 108.1 51.4 -64.7 -37.0 2.9 14.7 2.9 63 63 A E H > S+ 0 0 41 -3,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.906 111.9 46.9 -66.2 -38.9 -0.5 16.2 3.8 64 64 A A H X S+ 0 0 0 -4,-1.7 4,-2.6 2,-0.2 -2,-0.2 0.874 110.2 53.5 -69.1 -38.8 0.8 16.9 7.3 65 65 A A H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.950 110.9 45.6 -64.3 -43.7 4.0 18.4 6.0 66 66 A L H X S+ 0 0 33 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.907 114.0 49.0 -64.6 -41.7 2.2 20.8 3.7 67 67 A R H X S+ 0 0 53 -4,-2.1 4,-3.4 2,-0.2 5,-0.2 0.898 110.7 49.7 -63.6 -47.1 -0.3 21.8 6.5 68 68 A E H X S+ 0 0 19 -4,-2.6 4,-2.7 2,-0.2 5,-0.2 0.895 110.0 50.6 -62.6 -40.8 2.6 22.4 9.1 69 69 A V H X>S+ 0 0 0 -4,-2.2 4,-1.6 -5,-0.2 6,-0.8 0.970 116.3 41.9 -57.6 -52.5 4.5 24.6 6.7 70 70 A K H X5S+ 0 0 27 -4,-2.1 4,-2.4 4,-0.2 3,-0.4 0.951 117.9 45.5 -61.6 -51.2 1.3 26.7 6.0 71 71 A E H <5S+ 0 0 23 -4,-3.4 -1,-0.2 1,-0.2 -2,-0.2 0.881 120.4 38.2 -59.3 -41.3 0.2 26.8 9.6 72 72 A E H <5S+ 0 0 12 -4,-2.7 -30,-0.3 -5,-0.2 -1,-0.2 0.579 136.8 11.8 -89.0 -16.8 3.7 27.7 11.1 73 73 A T H <5S- 0 0 0 -4,-1.6 -3,-0.2 -3,-0.4 -2,-0.2 0.483 86.5-123.0-135.2 -16.2 5.0 30.1 8.4 74 74 A G << + 0 0 0 -4,-2.4 34,-2.7 -5,-0.5 -4,-0.2 0.562 62.5 150.4 72.4 11.6 2.1 31.0 6.1 75 75 A A E - I 0 107A 3 -6,-0.8 2,-0.4 32,-0.2 -1,-0.2 -0.477 42.8-144.2 -81.4 148.3 4.3 29.7 3.2 76 76 A R E - I 0 106A 48 30,-2.6 29,-2.6 -2,-0.2 30,-1.1 -0.898 24.4-130.5-105.0 133.6 3.0 28.1 -0.1 77 77 A V E - I 0 104A 34 -2,-0.4 27,-0.3 27,-0.2 3,-0.1 -0.753 20.1-169.8 -94.9 135.2 5.1 25.3 -1.3 78 78 A K E S- 0 0 128 25,-3.2 2,-0.3 -2,-0.4 26,-0.2 0.811 82.0 -0.4 -84.1 -40.6 6.4 25.1 -4.9 79 79 A S E - I 0 103A 38 24,-1.4 24,-2.1 2,-0.0 2,-0.4 -0.981 59.0-159.6-152.2 142.0 7.7 21.5 -4.4 80 80 A L E - I 0 102A 28 -2,-0.3 2,-0.4 22,-0.2 22,-0.2 -0.998 18.1-179.1-124.6 120.9 7.7 19.0 -1.5 81 81 A K E - I 0 101A 69 20,-2.6 20,-2.8 -2,-0.4 2,-0.2 -0.989 29.1-120.8-126.0 131.9 10.2 16.1 -1.7 82 82 A Y E + I 0 100A 43 -2,-0.4 18,-0.3 18,-0.2 3,-0.1 -0.517 32.7 171.8 -68.2 133.2 10.8 13.3 0.7 83 83 A L E - 0 0 16 16,-3.2 2,-0.3 1,-0.4 17,-0.2 0.763 51.2 -58.5-109.0 -47.3 14.5 13.3 2.0 84 84 A G E - I 0 99A 0 15,-1.6 15,-3.2 2,-0.0 -1,-0.4 -0.931 44.3-106.5-175.3-162.9 14.7 10.7 4.8 85 85 A Q E -BI 15 98A 0 -70,-2.6 -70,-2.6 13,-0.3 2,-0.3 -0.994 17.5-162.1-151.8 149.5 13.4 9.5 8.1 86 86 A Y E -BI 14 97A 8 11,-2.6 11,-3.1 -2,-0.3 2,-0.5 -0.962 10.5-146.1-136.7 151.6 14.5 9.4 11.7 87 87 A K E -BI 13 96A 54 -74,-2.7 -74,-2.3 -2,-0.3 2,-0.6 -0.972 10.9-152.7-112.4 130.9 13.5 7.5 14.8 88 88 A V E -BI 12 95A 21 7,-3.0 7,-1.9 -2,-0.5 2,-1.1 -0.935 4.9-155.2-104.6 119.7 13.8 9.1 18.2 89 89 A L E -BI 11 94A 57 -78,-3.8 -78,-1.8 -2,-0.6 5,-0.2 -0.774 27.4-179.6 -96.2 89.0 14.4 6.6 21.0 90 90 A G - 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