==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 05-NOV-08 3F6A . COMPND 2 MOLECULE: HYDROLASE, NUDIX FAMILY; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM PERFRINGENS ATCC 13124; . AUTHOR K.PALANI,S.K.BURLEY,S.SWAMINATHAN,NEW YORK SGX RESEARCH . 295 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14868.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 186 63.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 17 5.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 59 20.0 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 . 1 0.3 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-3), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 21 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 4.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 63 21.4 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 0 0 1 0 1 1 0 0 0 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 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 PARALLEL BRIDGES PER LADDER . 0 5 3 4 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 L 0 0 36 0, 0.0 153,-0.9 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 4.3 33.2 52.2 15.5 2 2 A N - 0 0 28 151,-0.3 2,-3.4 185,-0.2 151,-0.1 -0.897 360.0 -90.2-132.1 161.8 33.1 53.0 11.8 3 3 A R S S+ 0 0 126 149,-0.4 150,-0.1 -2,-0.3 34,-0.0 -0.162 86.7 113.0 -65.6 51.8 32.0 51.4 8.5 4 4 A H + 0 0 27 -2,-3.4 93,-3.1 92,-0.1 2,-0.4 -0.109 49.9 102.1-113.6 31.4 35.5 49.8 8.0 5 5 A F E +a 97 0A 18 91,-0.2 30,-1.4 30,-0.2 2,-0.3 -0.973 39.3 161.6-125.7 129.6 34.4 46.2 8.4 6 6 A T E -aB 98 34A 8 91,-2.9 93,-2.7 -2,-0.4 2,-0.3 -0.829 23.3-136.2-134.1 171.4 33.8 43.7 5.6 7 7 A V E -aB 99 33A 1 26,-2.2 26,-1.6 -2,-0.3 2,-0.3 -0.911 7.9-161.9-130.8 158.7 33.6 39.9 5.3 8 8 A S E -aB 100 32A 18 91,-2.3 93,-2.7 -2,-0.3 2,-0.4 -0.984 6.3-161.8-137.8 144.8 34.9 37.3 2.9 9 9 A V E -aB 101 31A 0 22,-2.5 22,-1.2 -2,-0.3 2,-0.7 -0.980 9.5-159.6-136.9 124.2 33.7 33.7 2.5 10 10 A F E -a 102 0A 0 91,-2.4 93,-2.7 -2,-0.4 2,-0.5 -0.901 21.2-159.2-100.7 112.4 35.5 30.8 0.8 11 11 A I E -aC 103 18A 0 -2,-0.7 7,-2.5 7,-0.5 2,-0.4 -0.834 3.9-160.5-101.2 127.5 32.8 28.3 -0.1 12 12 A V E -aC 104 17A 3 91,-2.8 93,-1.7 -2,-0.5 2,-0.5 -0.897 9.0-173.2-110.8 131.2 33.7 24.6 -0.7 13 13 A C E > - C 0 16A 7 3,-2.6 3,-2.4 -2,-0.4 2,-0.4 -0.988 67.3 -55.2-121.9 118.6 31.6 22.2 -2.7 14 14 A K T 3 S- 0 0 104 -2,-0.5 93,-0.0 91,-0.4 -2,-0.0 -0.290 126.6 -11.4 48.3-100.6 32.9 18.6 -2.5 15 15 A D T 3 S+ 0 0 74 -2,-0.4 110,-0.5 -3,-0.0 2,-0.3 0.146 122.9 71.6-115.7 23.4 36.5 19.1 -3.7 16 16 A K E < -C 13 0A 71 -3,-2.4 -3,-2.6 108,-0.1 2,-0.4 -0.938 61.3-141.1-136.4 158.7 36.5 22.6 -5.1 17 17 A V E -CD 12 123A 2 106,-2.1 106,-2.6 -2,-0.3 2,-0.3 -0.930 21.5-123.9-121.0 145.2 36.3 26.2 -3.8 18 18 A L E +CD 11 122A 1 -7,-2.5 -7,-0.5 -2,-0.4 13,-0.3 -0.697 30.7 164.0 -95.7 137.2 34.4 29.2 -5.3 19 19 A L E - D 0 121A 4 102,-2.0 102,-2.4 -2,-0.3 2,-0.3 -0.936 17.0-153.1-139.3 159.4 35.8 32.6 -6.4 20 20 A H E -ED 29 120A 8 9,-3.3 9,-2.5 -2,-0.3 2,-0.7 -0.983 27.7-104.3-138.4 150.9 34.4 35.3 -8.6 21 21 A L E -E 28 0A 23 98,-2.2 98,-0.3 -2,-0.3 7,-0.2 -0.624 26.1-148.7 -74.7 113.2 35.9 38.1 -10.8 22 22 A H - 0 0 71 5,-2.2 4,-0.2 -2,-0.7 -1,-0.2 0.814 28.8-146.4 -51.3 -36.0 35.5 41.3 -8.8 23 23 A K S S+ 0 0 81 2,-0.5 94,-0.1 4,-0.2 -3,-0.0 0.427 81.2 48.9 73.2 142.7 35.2 43.4 -12.1 24 24 A K S S+ 0 0 204 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.624 120.7 53.8 67.1 10.3 36.6 46.9 -12.3 25 25 A A S S- 0 0 30 2,-0.1 2,-1.4 66,-0.0 -2,-0.5 -0.385 92.2-141.9-172.6 75.7 39.5 45.0 -10.8 26 26 A K + 0 0 176 -4,-0.2 2,-0.3 -5,-0.1 -5,-0.1 -0.241 61.1 110.1 -50.6 84.9 40.3 42.0 -13.0 27 27 A K - 0 0 46 -2,-1.4 -5,-2.2 -7,-0.1 2,-0.3 -0.950 69.3-112.8-162.3 141.2 41.1 39.5 -10.2 28 28 A X E +E 21 0A 3 105,-3.2 107,-0.4 -2,-0.3 -7,-0.2 -0.620 43.5 167.3 -79.6 131.8 39.5 36.4 -8.7 29 29 A L E -E 20 0A 23 -9,-2.5 -9,-3.3 -2,-0.3 3,-0.1 -0.948 37.1-101.7-141.3 160.2 38.2 36.9 -5.1 30 30 A P - 0 0 9 0, 0.0 -20,-0.2 0, 0.0 -11,-0.2 -0.327 54.3 -86.6 -74.7 167.5 36.1 35.0 -2.6 31 31 A L E S+B 9 0A 0 -22,-1.2 -22,-2.5 -13,-0.3 2,-0.3 -0.324 74.8 108.7 -68.7 160.2 32.5 36.2 -2.2 32 32 A G E +B 8 0A 12 -24,-0.2 2,-0.3 16,-0.2 -24,-0.2 -0.967 26.5 166.4 159.3-173.7 32.0 39.0 0.4 33 33 A G E -B 7 0A 24 -26,-1.6 -26,-2.2 -2,-0.3 15,-0.1 -0.957 47.8 -25.1 158.2-173.1 31.3 42.7 1.0 34 34 A H E -B 6 0A 114 -2,-0.3 2,-0.4 -28,-0.2 -28,-0.2 -0.174 54.9-122.1 -65.4 157.3 30.4 45.2 3.7 35 35 A I - 0 0 15 -30,-1.4 -30,-0.2 4,-0.0 2,-0.1 -0.858 28.5-120.3 -99.6 132.9 28.5 44.3 6.9 36 36 A E > - 0 0 95 -2,-0.4 3,-1.7 4,-0.2 8,-0.1 -0.451 35.1 -98.8 -72.6 148.8 25.3 46.1 7.4 37 37 A V T 3 S+ 0 0 51 1,-0.3 -1,-0.1 -2,-0.1 3,-0.1 -0.418 116.0 21.5 -63.2 142.7 25.1 48.2 10.5 38 38 A N T 3 S+ 0 0 145 1,-0.2 2,-0.4 116,-0.1 -1,-0.3 0.763 104.7 116.2 67.5 22.8 23.2 46.2 13.1 39 39 A E < - 0 0 19 -3,-1.7 -1,-0.2 -4,-0.0 -4,-0.0 -0.982 67.7-121.9-123.9 136.6 24.2 43.0 11.1 40 40 A L >> - 0 0 24 -2,-0.4 4,-2.1 1,-0.1 3,-0.7 -0.512 22.7-120.9 -75.7 143.8 26.4 40.3 12.5 41 41 A P H 3> S+ 0 0 2 0, 0.0 4,-1.3 0, 0.0 -1,-0.1 0.852 115.4 52.9 -51.7 -35.1 29.5 39.5 10.4 42 42 A E H 3> S+ 0 0 44 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.853 105.8 50.8 -70.4 -35.8 28.2 35.9 10.0 43 43 A E H <> S+ 0 0 92 -3,-0.7 4,-2.7 1,-0.2 -1,-0.2 0.859 106.9 56.9 -69.3 -32.5 24.8 37.1 8.7 44 44 A A H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.861 105.4 50.3 -64.8 -36.6 26.7 39.2 6.2 45 45 A C H X S+ 0 0 0 -4,-1.3 4,-2.3 -5,-0.2 -2,-0.2 0.940 110.6 49.8 -66.1 -46.8 28.5 36.1 4.9 46 46 A I H X S+ 0 0 91 -4,-2.0 4,-1.5 1,-0.2 -2,-0.2 0.925 114.7 42.9 -58.1 -48.6 25.2 34.3 4.5 47 47 A R H X S+ 0 0 55 -4,-2.7 4,-3.3 1,-0.2 5,-0.2 0.921 112.8 51.5 -67.7 -41.7 23.6 37.2 2.6 48 48 A E H X S+ 0 0 9 -4,-2.5 4,-3.1 1,-0.2 5,-0.3 0.880 107.7 53.7 -62.3 -35.8 26.6 37.9 0.4 49 49 A A H X S+ 0 0 0 -4,-2.3 6,-1.8 -5,-0.2 4,-1.2 0.889 113.9 42.9 -64.5 -38.0 26.7 34.2 -0.5 50 50 A K H X S+ 0 0 81 -4,-1.5 4,-1.4 4,-0.3 -2,-0.2 0.898 118.5 43.6 -74.0 -43.2 23.1 34.4 -1.5 51 51 A E H < S+ 0 0 55 -4,-3.3 62,-3.1 1,-0.2 -2,-0.2 0.898 120.8 38.1 -71.8 -39.9 23.4 37.7 -3.4 52 52 A E H < S+ 0 0 18 -4,-3.1 -1,-0.2 -5,-0.2 -3,-0.2 0.687 140.0 7.3 -88.1 -17.3 26.7 37.0 -5.2 53 53 A A H < S- 0 0 0 -4,-1.2 58,-2.1 -5,-0.3 -3,-0.2 0.368 90.4-118.0-143.5 2.2 26.1 33.3 -6.1 54 54 A G < + 0 0 29 -4,-1.4 2,-0.3 56,-0.2 -4,-0.3 0.857 66.9 147.7 58.9 35.5 22.5 32.5 -5.1 55 55 A L - 0 0 7 -6,-1.8 2,-0.5 -9,-0.1 -1,-0.2 -0.807 49.7-145.6-111.1 147.1 23.9 29.9 -2.6 56 56 A N - 0 0 119 -2,-0.3 50,-0.4 -3,-0.1 2,-0.3 -0.902 35.8-170.8 -99.8 130.8 22.7 28.6 0.7 57 57 A V - 0 0 27 -2,-0.5 2,-0.5 48,-0.1 48,-0.2 -0.775 28.6-139.4-126.0 170.0 25.9 27.9 2.8 58 58 A T E -F 104 0A 96 46,-2.2 46,-1.8 -2,-0.3 2,-0.1 -0.931 26.0-142.2-129.2 104.7 27.0 26.3 6.0 59 59 A L E -F 103 0A 29 -2,-0.5 2,-0.4 44,-0.2 44,-0.3 -0.414 24.1-110.3 -68.5 139.0 29.7 28.3 7.8 60 60 A Y + 0 0 89 42,-3.0 42,-0.2 -2,-0.1 -1,-0.1 -0.580 48.5 169.6 -68.5 123.1 32.5 26.3 9.5 61 61 A N - 0 0 67 -2,-0.4 2,-0.7 19,-0.1 -1,-0.1 -0.630 22.4-164.8-144.6 84.2 31.8 26.9 13.2 62 62 A P - 0 0 84 0, 0.0 2,-0.3 0, 0.0 19,-0.2 -0.563 27.6-137.6 -70.0 112.1 33.6 24.8 15.8 63 63 A I - 0 0 81 -2,-0.7 2,-1.1 1,-0.1 3,-0.1 -0.540 11.7-150.5 -78.7 135.9 31.5 25.4 18.9 64 64 A D >> - 0 0 40 -2,-0.3 4,-2.5 1,-0.2 3,-0.8 -0.811 20.7-169.8-100.6 82.0 33.2 26.1 22.3 65 65 A I H 3> S+ 0 0 92 -2,-1.1 4,-2.7 1,-0.3 5,-0.3 0.833 78.0 57.4 -46.1 -44.7 30.3 24.5 24.2 66 66 A N H 3> S+ 0 0 111 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.909 114.4 37.9 -55.9 -44.7 31.5 25.7 27.6 67 67 A L H <> S+ 0 0 0 -3,-0.8 4,-2.2 2,-0.2 -1,-0.2 0.843 113.5 56.5 -77.5 -33.8 31.5 29.3 26.5 68 68 A K H X S+ 0 0 85 -4,-2.5 4,-2.1 2,-0.2 10,-0.3 0.960 112.5 40.6 -62.2 -50.2 28.3 29.0 24.4 69 69 A K H X S+ 0 0 136 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.909 115.5 49.6 -65.8 -44.1 26.3 27.7 27.3 70 70 A S H X S+ 0 0 5 -4,-1.7 4,-2.1 -5,-0.3 214,-0.5 0.874 110.4 53.1 -64.2 -34.4 27.7 30.1 29.9 71 71 A C H <>S+ 0 0 0 -4,-2.2 5,-3.1 2,-0.2 -2,-0.2 0.951 105.9 51.8 -64.9 -48.7 27.1 33.0 27.5 72 72 A D H ><5S+ 0 0 81 -4,-2.1 3,-1.4 1,-0.2 -1,-0.2 0.895 109.7 50.3 -54.6 -42.9 23.4 32.1 27.0 73 73 A L H 3<5S+ 0 0 139 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.939 107.6 53.1 -59.7 -48.1 23.0 32.1 30.8 74 74 A S T 3<5S- 0 0 31 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.381 124.0-107.5 -69.6 4.9 24.7 35.5 31.1 75 75 A G T < 5S+ 0 0 58 -3,-1.4 -3,-0.2 1,-0.3 2,-0.2 0.652 86.1 110.1 76.9 15.3 22.2 36.7 28.5 76 76 A E < - 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