==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 13-AUG-01 1JRK . COMPND 2 MOLECULE: NUDIX HOMOLOG; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROBACULUM AEROPHILUM; . AUTHOR S.WANG,C.MURA,M.R.SAWAYA,D.CASCIO,D.EISENBERG . 593 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27978.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 436 73.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 36 6.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 153 25.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.7 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 . 11 1.9 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 0.3 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 . 67 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 129 21.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 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 0 0 4 0 0 1 0 0 1 0 0 0 1 0 1 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 0 0 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 0 PARALLEL BRIDGES PER LADDER . 2 10 8 4 1 3 1 2 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 8 0 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 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 55 0, 0.0 91,-1.7 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 13.7 33.1 16.8 83.9 2 2 A I E -a 92 0A 14 30,-0.2 30,-2.0 89,-0.2 2,-0.2 -0.716 360.0-174.8 -89.9 143.1 33.1 18.1 80.4 3 3 A V E -aB 93 31A 8 89,-3.6 91,-2.8 -2,-0.3 2,-0.3 -0.730 11.8-140.8-127.4 179.6 35.4 21.1 79.8 4 4 A T E -aB 94 30A 0 26,-1.3 26,-2.3 89,-0.2 2,-0.3 -0.999 11.2-173.2-149.2 143.7 36.2 23.5 77.0 5 5 A S E -aB 95 29A 4 89,-1.7 91,-2.7 -2,-0.3 2,-0.4 -0.952 14.3-140.9-136.6 154.9 39.2 25.2 75.4 6 6 A G E -a 96 0A 0 22,-3.3 2,-0.6 -2,-0.3 91,-0.2 -0.942 5.6-153.7-120.5 141.2 39.8 27.8 72.8 7 7 A V E -a 97 0A 1 89,-1.8 91,-2.2 -2,-0.4 2,-0.6 -0.955 14.1-175.4-117.5 108.9 42.6 27.8 70.2 8 8 A L - 0 0 4 -2,-0.6 7,-2.3 7,-0.4 2,-0.4 -0.940 1.7-177.7-112.3 120.9 43.5 31.2 69.0 9 9 A V B +G 14 0B 25 -2,-0.6 2,-0.3 89,-0.4 5,-0.2 -0.968 8.3 163.9-120.3 133.6 46.0 31.5 66.2 10 10 A E - 0 0 47 3,-2.4 3,-0.2 -2,-0.4 -2,-0.0 -0.934 68.2 -7.7-151.0 124.3 47.4 34.8 64.8 11 11 A N S S- 0 0 142 -2,-0.3 3,-0.1 1,-0.2 -1,-0.1 0.939 130.7 -49.0 55.6 52.2 50.5 35.3 62.6 12 12 A G S S+ 0 0 33 1,-0.2 101,-1.8 100,-0.1 102,-0.5 0.847 118.4 114.2 58.1 33.7 51.8 31.8 62.9 13 13 A K E - H 0 112B 77 99,-0.3 -3,-2.4 -3,-0.2 2,-0.4 -0.993 52.0-155.4-140.0 130.4 51.3 32.0 66.7 14 14 A V E -GH 9 111B 0 97,-2.9 97,-3.8 -2,-0.4 2,-0.6 -0.861 24.0-124.6-103.7 139.7 49.0 30.1 69.1 15 15 A L E + H 0 110B 0 -7,-2.3 -7,-0.4 -2,-0.4 2,-0.4 -0.732 36.7 174.4 -85.4 118.0 48.1 31.7 72.4 16 16 A L E - H 0 109B 0 93,-2.9 93,-2.9 -2,-0.6 2,-0.2 -0.932 16.9-160.4-126.9 149.7 48.8 29.4 75.4 17 17 A V E -I 26 0C 8 9,-2.5 9,-2.6 -2,-0.4 2,-0.5 -0.698 35.3 -95.6-115.5 168.4 48.7 29.9 79.1 18 18 A K E -I 25 0C 128 -2,-0.2 7,-0.2 7,-0.2 6,-0.2 -0.753 46.0-104.9 -87.0 130.5 50.4 27.8 81.8 19 19 A H > - 0 0 28 5,-3.6 4,-2.1 -2,-0.5 -1,-0.1 -0.342 29.3-124.1 -57.0 130.8 48.3 25.0 83.2 20 20 A K T 4 S+ 0 0 204 1,-0.2 -1,-0.2 2,-0.2 -2,-0.0 0.812 103.2 9.3 -42.5 -43.5 47.2 26.2 86.7 21 21 A R T 4 S+ 0 0 106 3,-0.1 -1,-0.2 1,-0.0 -2,-0.1 0.740 130.7 50.3-113.3 -33.9 48.7 23.1 88.3 22 22 A L T 4 S- 0 0 69 2,-0.1 2,-1.3 1,-0.1 -2,-0.2 0.643 83.3-147.7 -82.1 -15.1 50.7 21.3 85.7 23 23 A G < + 0 0 37 -4,-2.1 -4,-0.1 1,-0.2 -1,-0.1 -0.086 57.6 123.7 75.3 -39.5 52.7 24.4 84.6 24 24 A V S S- 0 0 16 -2,-1.3 -5,-3.6 -6,-0.2 2,-0.3 -0.079 73.5 -96.9 -52.8 152.1 52.8 23.0 81.0 25 25 A Y E +Ij 18 121C 41 95,-2.8 97,-2.9 -7,-0.2 2,-0.3 -0.578 52.0 164.5 -77.6 136.1 51.4 25.2 78.3 26 26 A I E -I 17 0C 22 -9,-2.6 -9,-2.5 -2,-0.3 3,-0.1 -0.906 43.6 -94.6-141.3 163.6 47.9 24.6 77.2 27 27 A Y - 0 0 1 -2,-0.3 -11,-0.2 -11,-0.2 -20,-0.1 -0.547 58.0 -92.0 -77.9 153.1 45.2 26.5 75.3 28 28 A P S S+ 0 0 0 0, 0.0 -22,-3.3 0, 0.0 2,-0.3 -0.410 74.2 109.9 -67.7 144.3 42.9 28.5 77.6 29 29 A G E -B 5 0A 13 -24,-0.3 -24,-0.3 16,-0.2 2,-0.3 -0.945 32.8-176.3 175.1-168.5 39.7 26.7 78.7 30 30 A G E -B 4 0A 19 -26,-2.3 -26,-1.3 -2,-0.3 15,-0.1 -0.914 41.3 -35.8 165.3 170.4 38.1 25.2 81.8 31 31 A H E -B 3 0A 68 -2,-0.3 2,-0.6 -28,-0.2 -28,-0.2 -0.076 56.4-121.6 -50.7 140.9 35.2 23.3 83.3 32 32 A V - 0 0 13 -30,-2.0 -30,-0.2 2,-0.0 -1,-0.1 -0.800 27.1-128.1 -91.0 118.1 31.7 24.0 81.9 33 33 A E > - 0 0 65 -2,-0.6 3,-3.2 4,-0.1 8,-0.1 -0.360 15.5-120.4 -68.3 142.7 29.3 25.3 84.6 34 34 A H T 3 S+ 0 0 125 1,-0.3 117,-0.2 -2,-0.1 -1,-0.1 0.835 115.2 56.7 -43.8 -41.3 25.9 23.6 85.0 35 35 A N T 3 S+ 0 0 129 115,-0.1 2,-0.3 2,-0.0 -1,-0.3 0.461 105.1 60.8 -74.2 -5.2 24.4 27.0 84.2 36 36 A E S < S- 0 0 13 -3,-3.2 115,-0.2 205,-0.0 205,-0.1 -0.890 73.8-118.7-133.3 158.9 26.2 27.5 80.9 37 37 A T >> - 0 0 5 -2,-0.3 4,-2.6 1,-0.1 3,-1.4 -0.601 40.0-110.8 -84.8 148.1 26.6 26.1 77.3 38 38 A P H 3> S+ 0 0 0 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.847 122.0 57.8 -47.3 -35.0 30.2 25.0 76.3 39 39 A I H 3> S+ 0 0 7 2,-0.2 4,-1.2 1,-0.2 5,-0.1 0.855 109.1 42.3 -62.7 -40.8 30.1 28.0 74.0 40 40 A E H <> S+ 0 0 85 -3,-1.4 4,-2.2 2,-0.2 -1,-0.2 0.849 113.3 54.7 -73.8 -37.3 29.5 30.4 77.0 41 41 A A H X S+ 0 0 0 -4,-2.6 4,-2.8 2,-0.2 5,-0.3 0.911 106.0 49.6 -63.4 -45.1 32.0 28.6 79.0 42 42 A V H X S+ 0 0 0 -4,-2.5 4,-2.2 -5,-0.2 5,-0.3 0.911 112.6 47.1 -64.7 -41.1 34.9 28.9 76.5 43 43 A K H X S+ 0 0 74 -4,-1.2 4,-1.9 -5,-0.2 -1,-0.2 0.934 114.5 48.2 -64.6 -42.1 34.3 32.6 76.1 44 44 A R H X S+ 0 0 63 -4,-2.2 4,-3.0 2,-0.2 -2,-0.2 0.973 114.7 42.8 -61.5 -58.3 34.1 33.1 79.9 45 45 A E H X S+ 0 0 23 -4,-2.8 4,-3.7 2,-0.2 5,-0.2 0.884 115.2 48.7 -55.5 -47.4 37.3 31.1 80.8 46 46 A F H X>S+ 0 0 0 -4,-2.2 4,-2.6 -5,-0.3 5,-0.8 0.900 112.2 52.4 -57.6 -45.4 39.4 32.6 77.9 47 47 A E H X5S+ 0 0 79 -4,-1.9 4,-2.4 -5,-0.3 3,-0.4 0.984 114.4 39.7 -52.3 -66.6 38.2 35.9 79.1 48 48 A E H <5S+ 0 0 123 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.926 119.8 45.8 -52.6 -52.0 39.2 35.3 82.7 49 49 A E H <5S+ 0 0 58 -4,-3.7 -1,-0.2 -5,-0.2 -2,-0.2 0.734 131.7 11.4 -69.1 -26.1 42.5 33.5 81.7 50 50 A T H <5S- 0 0 1 -4,-2.6 56,-3.4 -3,-0.4 57,-1.4 0.623 86.9-123.6-125.9 -23.9 43.9 35.9 79.1 51 51 A G S < S-K 68 0D 44 3,-1.6 3,-0.6 -2,-0.2 -2,-0.0 -0.871 73.2 -60.0-160.4-170.2 14.7 29.3 63.3 66 66 A E T 3 S+ 0 0 167 -2,-0.2 3,-0.1 1,-0.2 164,-0.0 0.722 129.0 43.6 -57.3 -25.7 12.4 30.2 66.3 67 67 A N T 3 S+ 0 0 69 1,-0.2 163,-2.5 162,-0.1 2,-0.3 0.641 120.2 3.5-100.0 -18.4 13.1 26.9 68.0 68 68 A A E < -KL 65 229D 9 -3,-0.6 -3,-1.6 161,-0.2 2,-0.4 -0.955 49.1-153.6-167.2 148.7 16.8 26.2 67.7 69 69 A V E -KL 64 228D 32 159,-1.9 159,-2.6 -2,-0.3 -5,-0.2 -0.988 26.3-121.5-131.1 132.2 20.1 27.5 66.5 70 70 A E E - L 0 227D 2 -7,-2.5 157,-0.2 -2,-0.4 -10,-0.0 -0.426 22.6-149.2 -68.8 143.9 23.1 25.4 65.4 71 71 A R - 0 0 67 155,-2.1 155,-0.3 -2,-0.1 -8,-0.1 -0.820 31.0 -89.1-110.5 150.6 26.4 25.9 67.3 72 72 A P - 0 0 21 0, 0.0 -12,-0.2 0, 0.0 -1,-0.1 -0.270 41.9-110.2 -65.1 147.6 29.8 25.5 65.7 73 73 A M - 0 0 22 -14,-1.8 -14,-0.3 1,-0.1 24,-0.3 -0.488 36.5-110.2 -72.5 135.5 31.4 22.2 65.7 74 74 A P - 0 0 3 0, 0.0 22,-0.3 0, 0.0 -15,-0.2 -0.161 19.3-121.1 -62.3 168.4 34.5 21.9 67.9 75 75 A L S S- 0 0 7 20,-3.4 2,-0.3 1,-0.4 21,-0.2 0.891 89.2 -22.6 -73.0 -43.5 37.9 21.6 66.3 76 76 A V E -D 95 0A 0 19,-1.5 19,-2.2 17,-0.1 2,-0.5 -0.966 57.6-137.6-163.2 155.7 38.4 18.3 68.1 77 77 A I E -D 94 0A 0 143,-0.4 143,-2.9 -2,-0.3 2,-0.4 -0.968 24.0-177.9-128.9 115.0 37.0 16.5 71.2 78 78 A L E -DE 93 219A 0 15,-1.6 15,-2.8 -2,-0.5 2,-1.0 -0.900 26.0-144.8-114.4 139.4 39.5 14.7 73.3 79 79 A E E -DE 92 218A 29 139,-3.2 139,-2.0 -2,-0.4 2,-0.3 -0.887 35.9-161.2-100.9 97.7 38.7 12.7 76.4 80 80 A E E -DE 91 217A 6 11,-2.2 11,-2.5 -2,-1.0 2,-0.6 -0.603 15.5-141.7 -88.3 141.4 41.9 13.6 78.4 81 81 A V E -D 90 0A 45 135,-3.9 2,-0.6 -2,-0.3 9,-0.2 -0.889 17.7-171.1-104.0 122.1 43.4 11.8 81.4 82 82 A V E -D 89 0A 4 7,-2.6 7,-2.0 -2,-0.6 2,-0.8 -0.913 5.7-160.5-120.0 104.6 44.9 14.1 84.0 83 83 A K + 0 0 144 -2,-0.6 5,-0.2 5,-0.2 -2,-0.0 -0.746 17.3 168.6 -91.2 106.0 46.9 12.5 86.8 84 84 A Y > - 0 0 25 -2,-0.8 2,-2.4 3,-0.2 3,-1.3 -0.976 43.8-127.2-105.9 114.2 47.3 14.7 89.9 85 85 A P T 3 S+ 0 0 121 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 -0.531 107.8 61.2 -63.0 93.5 48.7 12.2 92.4 86 86 A E T 3 S- 0 0 113 -2,-2.4 2,-0.3 1,-1.3 -3,-0.0 0.306 129.2 -21.0 158.6 15.9 45.8 13.5 94.6 87 87 A E < - 0 0 98 -3,-1.3 -1,-1.3 2,-0.0 -3,-0.2 -0.850 68.6-131.2 148.7-163.7 42.9 12.4 92.5 88 88 A T - 0 0 70 -2,-0.3 -5,-0.2 -5,-0.2 2,-0.1 -0.473 24.6-152.1 178.5 103.3 43.1 11.7 88.6 89 89 A H E - D 0 82A 43 -7,-2.0 -7,-2.6 -2,-0.1 2,-0.4 -0.444 13.5-147.8 -91.1 162.0 40.5 13.3 86.4 90 90 A I E - D 0 81A 71 -9,-0.2 2,-0.5 -2,-0.1 -9,-0.2 -0.998 21.6-163.5-123.9 122.9 38.9 12.4 83.1 91 91 A H E - D 0 80A 22 -11,-2.5 -11,-2.2 -2,-0.4 2,-1.2 -0.956 17.6-153.1-117.7 123.2 38.0 15.5 81.1 92 92 A F E -aD 2 79A 4 -91,-1.7 -89,-3.6 -2,-0.5 2,-0.7 -0.831 29.8-163.6 -91.7 102.8 35.6 15.5 78.1 93 93 A D E -aD 3 78A 2 -15,-2.8 -15,-1.6 -2,-1.2 2,-0.8 -0.832 16.9-162.6-101.9 110.6 37.2 18.4 76.4 94 94 A L E -aD 4 77A 2 -91,-2.8 -89,-1.7 -2,-0.7 2,-0.6 -0.804 18.6-161.6 -87.4 113.1 35.3 20.2 73.7 95 95 A I E -aD 5 76A 0 -19,-2.2 -20,-3.4 -2,-0.8 -19,-1.5 -0.894 6.6-167.2-109.3 118.1 38.0 22.2 71.9 96 96 A Y E -a 6 0A 0 -91,-2.7 -89,-1.8 -2,-0.6 2,-0.4 -0.673 23.8-129.7-102.9 154.5 37.0 25.0 69.8 97 97 A L E -aC 7 57A 3 -40,-0.8 -40,-2.8 -24,-0.3 2,-0.3 -0.809 41.7-173.4 -92.3 134.2 38.8 27.1 67.2 98 98 A V E - C 0 56A 6 -91,-2.2 -89,-0.4 -2,-0.4 2,-0.3 -0.952 19.6-144.3-136.6 159.3 38.1 30.8 68.2 99 99 A K E - C 0 55A 113 -44,-1.9 -44,-2.6 -2,-0.3 2,-0.4 -0.850 28.4-105.8-120.3 154.5 38.7 34.3 66.9 100 100 A R E + C 0 54A 99 -2,-0.3 -46,-0.3 -46,-0.2 3,-0.1 -0.638 40.2 160.4 -81.3 130.5 39.5 37.6 68.7 101 101 A V E - 0 0 85 -48,-3.0 2,-0.3 1,-0.4 -47,-0.2 0.468 62.4 -35.2-126.1 -7.6 36.7 40.1 69.0 102 102 A G E S+ C 0 53A 27 -49,-1.5 -49,-4.7 0, 0.0 -1,-0.4 -0.983 84.5 78.2 172.0-176.1 37.8 42.3 71.9 103 103 A G E - C 0 52A 42 -51,-0.3 -51,-0.3 -2,-0.3 2,-0.3 -0.519 68.0 -99.4 86.6-158.0 39.6 42.6 75.2 104 104 A D - 0 0 98 -53,-1.8 2,-0.2 -2,-0.2 3,-0.2 -0.942 32.0 -90.1-165.3 141.4 43.4 42.7 75.4 105 105 A L + 0 0 63 -2,-0.3 -54,-0.2 1,-0.2 3,-0.1 -0.364 52.8 154.5 -58.4 114.9 46.1 40.2 76.2 106 106 A K + 0 0 165 -56,-3.4 2,-0.3 1,-0.4 -55,-0.2 0.678 66.9 14.5-108.7 -38.8 46.6 40.6 79.9 107 107 A N S S+ 0 0 98 -57,-1.4 -1,-0.4 -3,-0.2 -55,-0.2 -0.974 94.9 47.8-140.3 151.1 48.1 37.1 80.6 108 108 A G - 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