==== 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 STRUCTURAL GENOMICS, UNKNOWN FUNCTION 26-SEP-01 1K2E . COMPND 2 MOLECULE: NUDIX HOMOLOG; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROBACULUM AEROPHILUM; . AUTHOR S.WANG,C.MURA,M.R.SAWAYA,D.CASCIO,D.EISENBERG . 302 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15903.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 219 72.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 6.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 77 25.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 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 . 6 2.0 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 . 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 . 34 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 62 20.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 1 0 0 0 0 0 0 0 0 2 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 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 0 PARALLEL BRIDGES PER LADDER . 1 5 4 2 1 1 0 1 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 4 0 0 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 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 67 0, 0.0 91,-2.6 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 157.4 6.2 13.3 17.8 2 2 A I E +a 92 0A 20 89,-0.2 30,-2.1 30,-0.2 2,-0.3 -0.693 360.0 168.7 -84.5 131.6 6.9 16.9 16.6 3 3 A V E -aB 93 31A 4 89,-2.4 91,-2.5 -2,-0.4 2,-0.3 -0.838 17.8-149.3-132.5 172.8 4.3 18.2 14.2 4 4 A T E -aB 94 30A 0 26,-2.4 26,-2.3 -2,-0.3 2,-0.3 -0.988 7.5-169.0-145.8 155.2 3.5 21.6 12.8 5 5 A S E -aB 95 29A 5 89,-1.8 91,-2.8 -2,-0.3 2,-0.4 -0.946 13.5-139.0-139.7 158.2 0.4 23.5 11.6 6 6 A G E -a 96 0A 0 22,-2.6 2,-0.6 -2,-0.3 91,-0.2 -0.985 5.6-154.2-127.3 133.4 -0.2 26.8 9.8 7 7 A V E -a 97 0A 0 89,-2.8 91,-2.6 -2,-0.4 2,-0.5 -0.909 15.9-179.8-107.6 113.9 -2.9 29.3 10.6 8 8 A L + 0 0 3 -2,-0.6 7,-2.1 7,-0.4 2,-0.5 -0.965 1.1 177.8-118.8 115.9 -4.0 31.4 7.5 9 9 A V E +F 14 0B 22 -2,-0.5 2,-0.4 89,-0.4 5,-0.2 -0.985 3.8 169.0-122.5 126.2 -6.7 34.0 8.0 10 10 A E E > -F 13 0B 56 3,-2.5 3,-1.5 -2,-0.5 -2,-0.0 -0.996 67.8 -11.3-137.4 131.1 -7.8 36.3 5.2 11 11 A N T 3 S- 0 0 157 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.890 129.4 -50.3 48.7 48.9 -10.9 38.6 5.1 12 12 A G T 3 S+ 0 0 34 1,-0.2 101,-2.6 100,-0.1 2,-0.4 0.629 117.7 106.6 69.2 14.2 -12.3 37.1 8.3 13 13 A K E < -FG 10 112B 77 -3,-1.5 -3,-2.5 99,-0.3 2,-0.4 -0.964 55.2-150.1-125.7 146.7 -12.0 33.5 7.2 14 14 A V E -FG 9 111B 0 97,-2.5 97,-3.1 -2,-0.4 2,-0.8 -0.921 20.5-124.6-115.0 138.5 -9.6 30.8 8.2 15 15 A L E + G 0 110B 0 -7,-2.1 -7,-0.4 -2,-0.4 2,-0.3 -0.724 39.6 170.1 -85.7 112.9 -8.5 28.0 5.9 16 16 A L E - G 0 109B 0 93,-2.6 93,-3.1 -2,-0.8 2,-0.3 -0.854 17.7-157.4-120.6 158.9 -9.2 24.6 7.5 17 17 A V E -H 26 0C 10 9,-2.9 9,-2.7 -2,-0.3 2,-0.4 -0.853 33.9 -93.7-127.7 159.9 -9.1 21.1 6.1 18 18 A K E -H 25 0C 131 -2,-0.3 6,-0.2 7,-0.2 7,-0.2 -0.617 48.6-107.1 -75.2 132.4 -10.8 17.9 7.2 19 19 A H > - 0 0 33 5,-2.4 4,-2.1 -2,-0.4 -1,-0.1 -0.393 27.7-126.2 -59.1 132.7 -8.5 16.0 9.6 20 20 A K T 4 S+ 0 0 151 1,-0.2 -1,-0.1 2,-0.2 -2,-0.1 0.781 102.0 18.1 -54.6 -35.3 -7.2 12.9 7.7 21 21 A R T 4 S+ 0 0 145 3,-0.1 -1,-0.2 0, 0.0 -2,-0.1 0.749 134.1 36.3-107.7 -31.9 -8.4 10.5 10.3 22 22 A L T 4 S- 0 0 76 2,-0.2 2,-1.0 1,-0.0 -2,-0.2 0.532 85.3-142.6-100.0 -12.9 -11.0 12.3 12.5 23 23 A G < + 0 0 35 -4,-2.1 -4,-0.2 1,-0.2 3,-0.1 -0.060 56.8 129.2 77.6 -34.7 -12.7 14.4 9.8 24 24 A V S S- 0 0 20 -2,-1.0 -5,-2.4 -6,-0.2 97,-0.2 -0.105 70.5 -91.9 -53.4 151.5 -13.0 17.4 12.1 25 25 A Y E +Hi 18 121C 43 95,-2.4 97,-3.0 -7,-0.2 2,-0.3 -0.427 55.9 160.0 -74.0 137.0 -11.8 20.7 10.8 26 26 A I E -H 17 0C 21 -9,-2.7 -9,-2.9 95,-0.2 3,-0.1 -0.950 45.0 -90.4-149.6 160.8 -8.2 21.6 11.6 27 27 A Y - 0 0 3 -2,-0.3 -11,-0.2 -11,-0.2 -20,-0.1 -0.462 59.5 -92.7 -70.8 150.1 -5.5 23.9 10.3 28 28 A P S S+ 0 0 1 0, 0.0 -22,-2.6 0, 0.0 2,-0.3 -0.320 75.7 107.4 -62.6 148.8 -3.3 22.3 7.7 29 29 A G E +B 5 0A 15 -24,-0.3 2,-0.3 16,-0.2 -24,-0.3 -0.978 30.9 175.2 168.8-171.4 -0.2 20.6 9.1 30 30 A G E -B 4 0A 19 -26,-2.3 -26,-2.4 -2,-0.3 15,-0.1 -0.980 45.2 -28.0 167.5-171.5 1.4 17.3 9.9 31 31 A H E -B 3 0A 96 -2,-0.3 2,-0.5 -28,-0.2 -28,-0.2 -0.279 56.1-118.7 -67.2 145.8 4.5 15.5 11.1 32 32 A V - 0 0 18 -30,-2.1 -30,-0.2 2,-0.0 -1,-0.1 -0.784 37.9-126.1 -84.0 125.1 7.9 17.1 10.6 33 33 A E > - 0 0 110 -2,-0.5 3,-1.7 4,-0.2 8,-0.1 -0.235 29.8 -90.0 -69.6 164.6 9.8 14.6 8.4 34 34 A H T 3 S+ 0 0 159 1,-0.3 -1,-0.1 120,-0.1 -2,-0.0 0.815 118.3 19.7 -46.4 -52.0 13.2 13.2 9.4 35 35 A N T 3 S+ 0 0 135 119,-0.1 2,-0.3 2,-0.1 -1,-0.3 0.010 103.3 97.8-114.1 36.5 15.6 15.7 7.9 36 36 A E < - 0 0 22 -3,-1.7 119,-0.1 4,-0.0 -4,-0.0 -0.874 69.2-122.4-116.1 155.4 13.3 18.7 7.4 37 37 A T > - 0 0 16 -2,-0.3 4,-2.6 1,-0.1 -4,-0.2 -0.486 28.7-111.1 -86.6 161.8 12.9 21.7 9.7 38 38 A P H > S+ 0 0 1 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.802 121.1 57.3 -60.9 -30.6 9.5 22.6 11.1 39 39 A I H > S+ 0 0 10 2,-0.2 4,-1.6 1,-0.2 5,-0.2 0.943 109.9 41.5 -64.5 -48.8 9.6 25.7 8.8 40 40 A E H > S+ 0 0 100 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.891 114.5 55.0 -65.3 -38.1 10.0 23.5 5.7 41 41 A A H X S+ 0 0 0 -4,-2.6 4,-3.1 1,-0.2 5,-0.3 0.909 105.2 48.7 -63.7 -44.4 7.4 21.1 7.0 42 42 A V H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 5,-0.2 0.932 113.0 48.9 -66.3 -38.4 4.7 23.6 7.6 43 43 A K H X S+ 0 0 61 -4,-1.6 4,-2.2 -5,-0.2 5,-0.2 0.954 115.0 45.1 -60.0 -49.9 5.2 25.0 4.0 44 44 A R H X S+ 0 0 39 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.943 115.1 46.2 -59.7 -51.8 5.2 21.5 2.5 45 45 A E H X S+ 0 0 10 -4,-3.1 4,-2.4 -5,-0.2 -16,-0.2 0.889 111.2 52.0 -59.6 -41.3 2.2 20.3 4.4 46 46 A F H X S+ 0 0 0 -4,-2.4 4,-1.8 -5,-0.3 6,-0.6 0.953 114.1 42.3 -64.7 -46.1 0.1 23.4 3.8 47 47 A E H X S+ 0 0 83 -4,-2.2 4,-1.9 -5,-0.2 -2,-0.2 0.885 114.9 49.8 -71.1 -33.1 0.7 23.3 0.0 48 48 A E H < S+ 0 0 131 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.886 117.4 41.2 -70.1 -36.7 0.2 19.5 -0.2 49 49 A E H < S+ 0 0 29 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.701 136.1 11.1 -85.6 -18.5 -3.1 19.7 1.8 50 50 A T H < S- 0 0 0 -4,-1.8 56,-3.4 2,-0.2 57,-1.1 0.540 88.3-120.7-132.6 -17.5 -4.6 22.8 0.2 51 51 A G S < S+ 0 0 16 -4,-1.9 53,-1.9 -5,-0.5 2,-0.4 0.335 74.8 122.3 86.5 -6.7 -2.6 23.8 -2.9 52 52 A I E -J 103 0D 0 -6,-0.6 2,-0.5 51,-0.3 -1,-0.3 -0.735 57.6-138.8 -93.8 137.6 -1.8 27.2 -1.4 53 53 A V E +J 102 0D 49 49,-2.4 48,-3.1 -2,-0.4 49,-1.2 -0.811 29.3 177.3 -94.6 131.7 1.8 28.3 -0.9 54 54 A V E -J 100 0D 0 -2,-0.5 46,-0.2 46,-0.3 -7,-0.1 -0.840 26.7-143.2-131.1 168.8 2.5 30.1 2.4 55 55 A E E -J 99 0D 71 44,-2.2 44,-2.1 -2,-0.3 2,-0.1 -0.999 27.3-124.7-131.5 126.0 5.4 31.6 4.4 56 56 A P E -J 98 0D 8 0, 0.0 42,-0.3 0, 0.0 2,-0.2 -0.489 31.5-173.2 -68.6 137.7 5.5 31.2 8.3 57 57 A I + 0 0 42 40,-2.7 40,-0.4 -2,-0.1 2,-0.2 -0.612 19.1 130.1-119.7-176.6 5.7 34.6 10.0 58 58 A G - 0 0 39 -2,-0.2 17,-0.1 38,-0.1 38,-0.0 -0.729 59.3 -45.2 146.4 163.1 6.2 35.3 13.7 59 59 A F + 0 0 121 14,-0.2 14,-2.2 -2,-0.2 2,-0.3 -0.281 54.4 172.9 -61.8 141.5 8.3 37.3 16.1 60 60 A T - 0 0 60 12,-0.2 -2,-0.1 1,-0.1 169,-0.0 -0.985 38.1-143.0-145.9 147.4 12.1 37.3 15.5 61 61 A Y - 0 0 86 -2,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.629 52.8-116.3 -79.3 -14.5 14.9 39.3 17.1 62 62 A G + 0 0 46 1,-0.2 2,-0.3 9,-0.1 -2,-0.0 0.667 52.7 166.7 90.5 16.1 16.4 39.4 13.6 63 63 A I + 0 0 19 8,-0.1 7,-2.9 6,-0.1 2,-0.3 -0.496 8.2 150.6 -70.5 127.9 19.6 37.4 14.3 64 64 A I B +K 69 0E 126 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.895 7.1 121.3-160.8 125.8 21.3 36.4 11.1 65 65 A D S S- 0 0 47 3,-2.1 3,-0.2 -2,-0.3 -2,-0.0 -0.890 72.3 -64.6-161.6-166.9 24.9 35.8 10.2 66 66 A E S S+ 0 0 153 -2,-0.3 3,-0.1 1,-0.2 168,-0.0 0.631 128.1 44.4 -69.1 -16.4 27.4 33.2 8.9 67 67 A N S S- 0 0 61 1,-0.3 167,-2.4 166,-0.1 2,-0.3 0.667 123.2 -3.0-103.6 -22.3 26.9 30.9 11.9 68 68 A A E - L 0 233E 4 165,-0.2 -3,-2.1 -3,-0.2 2,-0.4 -0.975 48.4-146.2-167.5 153.1 23.1 30.9 12.3 69 69 A V E -KL 64 232E 33 163,-2.3 163,-2.4 -2,-0.3 -5,-0.2 -0.991 27.1-127.8-127.5 127.9 19.8 32.3 11.1 70 70 A E E - L 0 231E 11 -7,-2.9 161,-0.2 -2,-0.4 -10,-0.0 -0.463 21.0-150.9 -70.8 143.6 16.9 32.9 13.5 71 71 A R - 0 0 72 159,-2.5 159,-0.4 -2,-0.1 -8,-0.1 -0.878 29.7 -88.0-112.4 153.9 13.5 31.4 12.5 72 72 A P - 0 0 27 0, 0.0 -12,-0.2 0, 0.0 -13,-0.1 -0.212 40.2-109.7 -63.6 145.6 10.2 32.9 13.5 73 73 A M - 0 0 18 -14,-2.2 -14,-0.2 1,-0.1 -16,-0.1 -0.465 35.6-112.2 -70.7 139.3 8.4 32.0 16.7 74 74 A P - 0 0 6 0, 0.0 22,-0.3 0, 0.0 -15,-0.1 -0.322 22.4-118.9 -65.2 159.7 5.3 29.9 16.4 75 75 A L S S- 0 0 15 20,-1.8 2,-0.3 1,-0.3 21,-0.2 0.904 91.3 -18.3 -64.5 -41.8 2.0 31.6 17.3 76 76 A V E -C 95 0A 0 19,-1.6 19,-2.1 17,-0.1 2,-0.5 -0.978 60.6-135.2-161.5 154.1 1.5 29.0 20.1 77 77 A I E -C 94 0A 0 147,-0.5 147,-2.5 -2,-0.3 2,-0.4 -0.974 24.2-175.1-120.6 117.5 2.9 25.5 20.9 78 78 A L E -CD 93 223A 0 15,-2.0 15,-2.9 -2,-0.5 2,-0.9 -0.945 21.4-148.4-115.9 134.7 0.4 22.9 22.0 79 79 A E E -CD 92 222A 23 143,-3.0 143,-2.1 -2,-0.4 2,-0.3 -0.888 32.0-163.9-100.2 101.6 1.2 19.4 23.3 80 80 A E E -CD 91 221A 6 11,-2.9 11,-2.6 -2,-0.9 2,-0.5 -0.652 18.0-151.8 -93.5 142.5 -1.9 17.5 22.0 81 81 A V E -C 90 0A 48 139,-2.5 2,-0.6 -2,-0.3 9,-0.2 -0.973 12.7-171.5-113.9 121.9 -3.1 14.1 23.1 82 82 A V E -C 89 0A 8 7,-2.7 7,-2.7 -2,-0.5 2,-0.4 -0.946 9.5-157.3-116.7 109.7 -5.1 12.4 20.3 83 83 A K E +C 88 0A 140 -2,-0.6 5,-0.2 5,-0.2 3,-0.0 -0.717 16.2 172.7 -94.3 133.7 -6.7 9.3 21.5 84 84 A Y - 0 0 31 3,-1.4 3,-0.3 -2,-0.4 -2,-0.0 -0.952 44.7-115.3-126.8 151.8 -7.7 6.5 19.2 85 85 A P S S+ 0 0 130 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 0.895 117.9 48.2 -54.6 -34.9 -9.0 3.1 20.4 86 86 A E S S- 0 0 150 1,-0.2 2,-0.3 -3,-0.0 -3,-0.0 0.808 128.8 -22.2 -74.4 -34.1 -5.9 1.5 19.0 87 87 A E - 0 0 124 -3,-0.3 -3,-1.4 -5,-0.0 2,-0.4 -0.977 57.8-114.6-173.1 157.3 -3.3 3.9 20.4 88 88 A T E - C 0 83A 71 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.859 26.4-153.1-104.3 141.9 -2.8 7.3 21.8 89 89 A H E - C 0 82A 45 -7,-2.7 -7,-2.7 -2,-0.4 2,-0.5 -0.958 3.0-153.4-116.1 139.8 -0.6 9.8 19.9 90 90 A I E - C 0 81A 69 -2,-0.4 2,-0.5 -9,-0.2 -9,-0.2 -0.952 15.4-170.8-109.0 118.4 1.3 12.7 21.6 91 91 A H E - C 0 80A 25 -11,-2.6 -11,-2.9 -2,-0.5 2,-1.2 -0.960 17.4-157.2-116.8 120.1 1.8 15.6 19.2 92 92 A F E -aC 2 79A 0 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