==== 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 UNKNOWN FUNCTION 14-MAR-08 3CJX . COMPND 2 MOLECULE: PROTEIN OF UNKNOWN FUNCTION WITH A CUPIN-LIKE FOL . SOURCE 2 ORGANISM_SCIENTIFIC: RALSTONIA EUTROPHA; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 1262 9 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 48088.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 905 71.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 1.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 515 40.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 107 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 94 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 104 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 1.3 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 0 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 8 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 0 0 0 PARALLEL BRIDGES PER LADDER . 16 31 6 19 8 8 0 16 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 . 6 7 9 0 0 0 0 8 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 7 A I 0 0 214 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 88.7 20.7 -33.9 111.7 2 8 A T - 0 0 136 1,-0.1 0, 0.0 2,-0.0 0, 0.0 -0.169 360.0-143.1 -69.9 157.6 17.6 -33.6 109.6 3 9 A H + 0 0 152 2,-0.0 -1,-0.1 0, 0.0 0, 0.0 0.990 23.5 167.2 -85.8 -81.6 14.2 -35.2 110.5 4 10 A Q - 0 0 67 1,-0.1 -2,-0.0 3,-0.0 3,-0.0 0.989 8.9-176.1 55.2 85.5 11.9 -36.7 107.6 5 11 A E + 0 0 149 2,-0.0 2,-0.3 230,-0.0 -1,-0.1 0.713 66.8 45.6 -79.1 -25.1 9.2 -38.8 109.3 6 12 A K S S- 0 0 78 229,-0.0 2,-0.3 232,-0.0 229,-0.0 -0.873 81.7-118.1-122.0 156.4 7.7 -40.0 106.0 7 13 A L - 0 0 6 -2,-0.3 2,-1.5 228,-0.1 241,-0.1 -0.714 29.4-116.3 -89.3 141.5 9.1 -41.4 102.8 8 14 A L E +A 247 0A 20 239,-0.6 239,-2.3 -2,-0.3 2,-0.3 -0.652 60.6 156.4 -76.9 92.1 8.5 -39.5 99.5 9 15 A T E -A 246 0A 23 -2,-1.5 2,-0.4 237,-0.2 237,-0.2 -0.954 32.4-164.0-130.2 144.6 6.5 -42.3 97.9 10 16 A V E -A 245 0A 6 235,-2.3 235,-3.0 -2,-0.3 2,-0.8 -0.988 10.3-152.3-128.8 121.7 3.9 -42.5 95.2 11 17 A D E > -A 244 0A 54 -2,-0.4 3,-1.3 233,-0.2 233,-0.2 -0.835 5.5-164.1 -93.5 109.2 1.6 -45.5 94.6 12 18 A T T 3 S+ 0 0 6 231,-2.5 3,-0.2 -2,-0.8 -1,-0.1 0.576 86.1 57.0 -71.6 -7.7 0.7 -45.5 90.9 13 19 A T T 3 S+ 0 0 100 229,-0.2 -1,-0.2 1,-0.1 230,-0.1 0.536 90.4 71.8 -95.4 -9.7 -2.3 -48.0 91.5 14 20 A A S < S+ 0 0 61 -3,-1.3 -1,-0.1 229,-0.1 -2,-0.1 0.504 105.9 29.3 -82.3 -6.7 -4.1 -45.7 94.0 15 21 A H S S- 0 0 70 -3,-0.2 3,-0.1 -4,-0.2 -1,-0.1 -0.987 89.0-100.7-149.1 151.0 -5.2 -43.1 91.3 16 22 A P - 0 0 80 0, 0.0 134,-0.1 0, 0.0 3,-0.1 -0.377 46.7 -97.8 -72.5 155.5 -6.0 -43.2 87.7 17 23 A F - 0 0 31 1,-0.1 2,-0.4 13,-0.1 13,-0.2 -0.295 40.2-101.1 -66.4 153.7 -3.4 -42.1 85.1 18 24 A L B -I 29 0B 0 11,-3.2 11,-2.0 -3,-0.1 3,-0.3 -0.670 49.0-128.3 -74.0 129.2 -3.6 -38.6 83.8 19 25 A K + 0 0 102 -2,-0.4 4,-0.2 9,-0.2 9,-0.2 -0.591 66.9 1.7 -92.6 144.1 -5.1 -39.0 80.3 20 26 A A S > S- 0 0 15 -2,-0.2 3,-2.2 4,-0.1 5,-0.2 0.916 76.5-135.4 55.2 62.9 -4.0 -37.7 76.9 21 27 A L G > S- 0 0 30 6,-2.8 3,-2.2 -3,-0.3 -1,-0.1 -0.174 86.3 -2.5 -47.5 131.6 -0.7 -35.9 77.7 22 28 A G G 3 S- 0 0 46 1,-0.3 -1,-0.3 113,-0.1 -2,-0.1 0.779 133.7 -60.9 50.5 31.1 -0.5 -32.6 75.9 23 29 A G G < S+ 0 0 61 -3,-2.2 2,-0.8 -4,-0.2 -1,-0.3 0.664 101.1 139.8 72.4 17.5 -3.9 -33.5 74.3 24 30 A H X - 0 0 114 -3,-2.2 3,-1.7 -4,-0.2 -3,-0.3 -0.829 49.4-137.0 -99.6 102.0 -2.4 -36.6 72.6 25 31 A E T 3 S+ 0 0 159 -2,-0.8 3,-0.1 1,-0.2 -6,-0.0 -0.212 86.0 31.9 -54.0 136.1 -4.9 -39.4 72.8 26 32 A G T 3 S+ 0 0 11 1,-0.1 22,-2.1 21,-0.1 2,-0.7 0.250 92.2 98.5 98.3 -13.3 -3.3 -42.7 73.7 27 33 A T E < + J 0 47B 13 -3,-1.7 -6,-2.8 20,-0.2 2,-0.4 -0.891 49.0 176.5-110.0 100.2 -0.5 -41.4 75.9 28 34 A D E - J 0 46B 30 18,-2.2 18,-2.9 -2,-0.7 2,-0.3 -0.898 9.0-166.1-105.2 133.4 -1.5 -41.7 79.6 29 35 A I E -IJ 18 45B 7 -11,-2.0 -11,-3.2 -2,-0.4 16,-0.2 -0.856 23.5-165.2-123.5 151.0 1.0 -40.7 82.3 30 36 A F E - J 0 44B 0 14,-2.7 14,-2.0 -2,-0.3 2,-0.1 -0.946 28.4-141.0-127.4 108.4 1.5 -41.0 86.0 31 37 A P E + J 0 43B 0 0, 0.0 12,-0.2 0, 0.0 120,-0.1 -0.430 29.4 165.6 -72.8 146.6 4.2 -38.5 87.2 32 38 A L E + 0 0 0 10,-1.5 121,-3.4 1,-0.3 2,-0.4 0.648 65.6 8.1-119.0 -60.9 6.6 -39.7 89.9 33 39 A F E -kJ 153 42B 2 9,-2.1 9,-2.6 119,-0.2 2,-0.4 -0.995 59.8-178.5-134.2 129.1 9.6 -37.3 90.1 34 40 A X E +kJ 154 41B 0 119,-2.2 121,-2.1 -2,-0.4 7,-0.2 -0.962 9.6 168.8-135.1 118.2 9.9 -33.9 88.3 35 41 A D E >> + J 0 40B 5 5,-3.0 5,-1.8 -2,-0.4 4,-0.6 -0.824 2.3 176.0-127.3 86.7 13.0 -31.6 88.5 36 42 A P T 45S+ 0 0 16 0, 0.0 97,-0.3 0, 0.0 366,-0.2 0.737 79.2 59.2 -63.0 -21.4 12.7 -28.8 85.9 37 43 A Y T 45S+ 0 0 66 1,-0.2 365,-0.9 118,-0.2 335,-0.2 0.883 115.9 30.0 -81.5 -37.9 15.8 -27.2 87.2 38 44 A N T 45S- 0 0 49 -3,-0.3 77,-0.3 2,-0.1 -1,-0.2 0.318 112.5-117.0 -98.3 6.6 18.2 -30.2 86.6 39 45 A G T <5 + 0 0 11 -4,-0.6 76,-2.6 1,-0.2 2,-0.3 0.989 65.4 137.0 57.4 68.7 16.1 -31.3 83.7 40 46 A L E < +JL 35 114B 22 -5,-1.8 -5,-3.0 74,-0.2 2,-0.4 -0.980 25.9 174.3-147.8 132.9 15.0 -34.7 85.0 41 47 A X E -JL 34 113B 9 72,-1.8 72,-2.6 -2,-0.3 2,-0.5 -0.991 13.0-164.9-138.5 135.4 11.7 -36.6 85.1 42 48 A V E +JL 33 112B 1 -9,-2.6 -9,-2.1 -2,-0.4 -10,-1.5 -0.984 31.1 163.2-116.1 116.6 10.9 -40.1 86.3 43 49 A X E -JL 31 111B 3 68,-2.2 68,-2.5 -2,-0.5 2,-0.5 -0.917 39.9-134.7-134.6 161.1 7.5 -41.2 84.9 44 50 A R E -JL 30 110B 18 -14,-2.0 -14,-2.7 -2,-0.3 2,-0.3 -0.965 29.4-166.8-110.0 129.1 5.2 -44.1 84.3 45 51 A A E -JL 29 109B 0 64,-2.2 64,-2.3 -2,-0.5 2,-0.5 -0.907 12.9-160.0-118.0 148.4 3.6 -44.1 80.8 46 52 A S E -JL 28 108B 10 -18,-2.9 -18,-2.2 -2,-0.3 2,-0.4 -0.955 17.2-161.6-128.7 108.8 0.7 -46.2 79.6 47 53 A F E -JL 27 107B 14 60,-3.3 60,-2.4 -2,-0.5 -20,-0.2 -0.794 10.3-137.0-102.4 135.7 0.5 -46.4 75.8 48 54 A A > - 0 0 21 -22,-2.1 3,-0.6 -2,-0.4 58,-0.1 -0.404 37.8 -91.2 -78.5 156.5 -2.5 -47.4 73.6 49 55 A P T 3 S+ 0 0 48 0, 0.0 52,-0.3 0, 0.0 -1,-0.1 -0.299 103.2 31.7 -65.9 155.7 -2.0 -49.6 70.6 50 56 A G T 3 S+ 0 0 40 50,-1.0 2,-0.3 49,-0.4 51,-0.2 0.679 80.5 149.4 74.9 22.1 -1.3 -48.2 67.2 51 57 A L < - 0 0 31 -3,-0.6 48,-2.6 48,-0.3 2,-0.4 -0.651 27.3-177.3 -94.1 146.2 0.6 -45.1 68.2 52 58 A T B -Q 98 0C 89 -2,-0.3 46,-0.2 46,-0.2 45,-0.0 -0.903 16.9-162.4-135.7 101.7 3.3 -43.3 66.2 53 59 A L - 0 0 28 44,-2.2 3,-0.1 -2,-0.4 0, 0.0 -0.290 29.5 -89.4 -79.7 169.6 4.7 -40.4 68.2 54 60 A P - 0 0 41 0, 0.0 43,-0.5 0, 0.0 2,-0.2 -0.267 57.2 -78.0 -72.6 168.9 6.7 -37.6 66.6 55 61 A L E -S 120 0D 14 65,-1.7 65,-2.1 41,-0.2 2,-0.6 -0.526 47.9-152.3 -66.7 130.6 10.5 -37.8 66.3 56 62 A H E -ST 119 95D 41 39,-2.4 39,-1.2 -2,-0.2 2,-0.6 -0.934 6.0-160.1-110.9 111.2 12.1 -37.0 69.7 57 63 A F E -ST 118 94D 24 61,-3.1 61,-2.4 -2,-0.6 2,-0.5 -0.826 18.6-145.3 -86.8 122.9 15.6 -35.6 69.7 58 64 A H E -S 117 0D 10 35,-2.7 34,-3.2 -2,-0.6 35,-0.2 -0.779 21.3-173.6 -94.7 127.5 17.1 -36.2 73.2 59 65 A T S S+ 0 0 3 57,-2.1 367,-0.3 -2,-0.5 2,-0.2 0.534 78.5 22.6 -90.8 -10.3 19.4 -33.6 74.8 60 66 A G S S- 0 0 3 54,-0.6 33,-0.2 56,-0.4 290,-0.1 -0.843 101.7 -63.8-142.7 179.7 20.2 -36.0 77.8 61 67 A T - 0 0 10 288,-0.3 53,-2.8 -2,-0.2 2,-0.4 -0.188 36.5-151.3 -72.0 158.0 20.0 -39.7 78.5 62 68 A V E -MN 89 113B 4 27,-2.3 27,-2.7 51,-0.2 2,-0.5 -0.992 7.5-171.0-131.1 124.0 16.9 -41.9 78.6 63 69 A H E +MN 88 112B 5 49,-2.1 49,-2.7 -2,-0.4 2,-0.4 -0.974 17.7 178.5-111.1 120.3 16.6 -45.0 80.8 64 70 A X E -MN 87 111B 17 23,-2.4 23,-2.2 -2,-0.5 2,-0.5 -0.985 17.8-171.9-136.6 132.9 13.5 -47.0 80.0 65 71 A Y E -MN 86 110B 10 45,-2.6 45,-2.5 -2,-0.4 2,-0.7 -0.985 16.7-145.2-122.3 124.9 12.0 -50.3 81.2 66 72 A T E -MN 85 109B 0 19,-2.6 18,-2.0 -2,-0.5 19,-0.6 -0.793 15.1-178.6 -90.9 118.2 9.1 -51.9 79.6 67 73 A I E - 0 0 37 41,-2.8 2,-0.3 -2,-0.7 -1,-0.2 0.919 67.7 -16.6 -80.6 -47.7 6.8 -53.6 82.1 68 74 A S E S+ N 0 108B 48 40,-1.4 40,-1.8 15,-0.2 -1,-0.3 -0.968 100.8 35.5-154.4 166.3 4.4 -54.9 79.6 69 75 A G S S- 0 0 33 -2,-0.3 14,-0.5 38,-0.3 2,-0.3 -0.614 77.2 -77.7 92.9-148.3 3.2 -54.7 76.0 70 76 A C E +V 82 0E 19 -2,-0.2 2,-0.3 12,-0.2 12,-0.2 -0.972 42.6 159.7-157.7 140.8 5.3 -53.9 73.0 71 77 A W E -V 81 0E 1 10,-1.7 10,-3.4 -2,-0.3 2,-0.3 -0.982 9.1-174.4-156.7 158.7 6.9 -50.9 71.3 72 78 A Y E -R 98 0C 57 26,-2.2 26,-1.3 -2,-0.3 2,-0.5 -0.987 29.5-109.7-153.4 159.2 9.7 -50.2 68.8 73 79 A Y E > -R 97 0C 10 3,-0.4 3,-1.7 -2,-0.3 6,-0.2 -0.795 31.8-125.3 -93.4 132.7 11.6 -47.4 67.2 74 80 A T T 3 S+ 0 0 59 22,-2.1 -1,-0.1 -2,-0.5 23,-0.1 0.808 110.5 51.8 -41.2 -42.0 10.8 -46.9 63.5 75 81 A E T 3 S+ 0 0 82 1,-0.2 -1,-0.3 21,-0.1 3,-0.1 0.753 114.2 41.6 -72.7 -27.0 14.4 -47.2 62.6 76 82 A Y X + 0 0 42 -3,-1.7 3,-2.2 1,-0.1 -3,-0.4 -0.442 63.8 157.4-122.9 60.9 15.0 -50.5 64.5 77 83 A P T 3 S+ 0 0 73 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 0.667 71.8 60.2 -61.9 -21.1 11.9 -52.6 63.7 78 84 A G T 3 S+ 0 0 77 1,-0.2 2,-0.1 -3,-0.1 -2,-0.0 0.398 95.5 65.2 -85.3 -0.6 13.7 -55.9 64.5 79 85 A Q S < S+ 0 0 67 -3,-2.2 -1,-0.2 -6,-0.2 -6,-0.2 -0.405 71.5 177.2-121.3 57.3 14.4 -54.9 68.1 80 86 A K - 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