==== 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 HYDROLASE 12-MAR-07 2P4O . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: NOSTOC PUNCTIFORME; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 302 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12023.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 203 67.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 123 40.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 2.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 9 3.0 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 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 . 28 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.7 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 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 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 3 0 1 5 7 5 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 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 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 4 A S > 0 0 66 0, 0.0 3,-1.2 0, 0.0 277,-0.0 0.000 360.0 360.0 360.0 148.4 26.4 17.5 1.3 2 5 A A T 3 + 0 0 111 1,-0.3 0, 0.0 3,-0.0 0, 0.0 0.644 360.0 64.9 -77.6 -19.5 29.5 17.6 -1.0 3 6 A G T 3 S+ 0 0 78 2,-0.1 -1,-0.3 0, 0.0 0, 0.0 0.843 80.7 105.9 -61.9 -30.8 30.6 21.3 -0.7 4 7 A L S < S- 0 0 38 -3,-1.2 0, 0.0 1,-0.1 0, 0.0 -0.284 73.8-123.1 -74.0 125.0 31.4 21.0 3.0 5 8 A P - 0 0 53 0, 0.0 2,-2.4 0, 0.0 3,-0.3 -0.397 31.4-120.0 -53.9 131.7 34.9 20.9 4.5 6 9 A P > + 0 0 107 0, 0.0 3,-1.5 0, 0.0 4,-0.3 -0.210 57.4 149.8 -76.1 53.9 35.1 17.7 6.5 7 10 A I T 3 S+ 0 0 24 -2,-2.4 3,-0.2 1,-0.3 -3,-0.0 0.710 73.2 37.1 -61.2 -26.7 35.9 19.5 9.8 8 11 A Y T > S+ 0 0 18 -3,-0.3 3,-1.5 1,-0.1 -1,-0.3 0.259 81.3 113.1-109.8 10.6 34.2 16.8 12.1 9 12 A A T < S+ 0 0 70 -3,-1.5 -1,-0.1 1,-0.3 -2,-0.1 0.779 85.0 34.8 -55.9 -35.8 35.2 13.7 10.1 10 13 A D T 3 S+ 0 0 156 -4,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.299 89.8 114.4-105.5 8.9 37.5 12.4 12.8 11 14 A K S < S- 0 0 80 -3,-1.5 230,-0.2 1,-0.1 -3,-0.0 -0.581 71.8-109.8 -79.0 139.9 35.6 13.5 15.9 12 15 A P - 0 0 81 0, 0.0 230,-2.9 0, 0.0 2,-0.5 -0.364 26.0-135.8 -65.8 149.9 34.1 10.7 18.2 13 16 A I B +a 242 0A 89 228,-0.2 2,-0.5 230,-0.1 230,-0.2 -0.952 26.9 171.0-111.0 122.4 30.3 10.3 18.2 14 17 A E - 0 0 108 228,-2.6 2,-0.5 -2,-0.5 227,-0.0 -0.921 27.8-143.9-130.9 93.9 28.7 9.8 21.6 15 18 A L - 0 0 83 -2,-0.5 229,-0.2 1,-0.1 228,-0.1 -0.528 8.1-142.7 -77.9 123.0 25.0 10.1 20.9 16 19 A A - 0 0 14 227,-2.7 278,-0.1 -2,-0.5 2,-0.1 -0.410 35.0 -90.2 -71.4 146.4 22.9 11.7 23.7 17 20 A P - 0 0 88 0, 0.0 276,-2.3 0, 0.0 2,-0.4 -0.457 58.6-164.8 -50.0 126.1 19.5 10.5 24.6 18 21 A A E +E 292 0B 46 274,-0.2 2,-0.3 -2,-0.1 274,-0.2 -0.968 21.6 174.8-128.1 146.7 17.3 12.6 22.2 19 22 A K E -E 291 0B 128 272,-2.0 272,-3.6 -2,-0.4 2,-0.6 -0.971 29.6-129.2-148.9 132.6 13.6 13.4 22.0 20 23 A I E -E 290 0B 76 -2,-0.3 270,-0.2 270,-0.2 3,-0.1 -0.744 21.7-174.2 -81.4 122.4 11.7 15.7 19.6 21 24 A I E - 0 0 24 268,-2.6 2,-0.3 -2,-0.6 269,-0.2 0.853 64.5 -15.2 -85.5 -45.3 9.5 18.0 21.8 22 25 A T E -E 289 0B 17 267,-1.1 267,-2.3 32,-0.0 2,-0.3 -0.979 59.0-145.7-154.5 163.3 7.7 19.8 19.0 23 26 A S E -E 288 0B 53 -2,-0.3 265,-0.2 265,-0.2 3,-0.1 -0.978 4.2-157.3-135.6 148.5 7.8 20.4 15.2 24 27 A F E -E 287 0B 12 263,-3.0 263,-0.7 -2,-0.3 4,-0.2 -0.769 42.2 -76.1-115.4 166.0 7.0 23.3 12.9 25 28 A P > - 0 0 95 0, 0.0 3,-1.0 0, 0.0 262,-0.6 -0.158 61.3 -83.4 -60.7 154.7 6.2 23.2 9.2 26 29 A V T 3 S+ 0 0 66 1,-0.2 3,-0.1 260,-0.2 248,-0.1 -0.313 118.7 38.9 -50.0 139.1 9.0 22.8 6.7 27 30 A N T 3 S+ 0 0 105 246,-0.5 2,-0.6 258,-0.4 -1,-0.2 0.611 78.6 137.7 82.6 17.7 10.5 26.2 6.0 28 31 A T < - 0 0 10 -3,-1.0 2,-1.0 -4,-0.2 -1,-0.3 -0.840 43.5-152.4 -91.5 123.5 10.3 27.4 9.6 29 32 A F - 0 0 24 -2,-0.6 17,-2.4 -3,-0.1 2,-0.6 -0.754 11.3-172.5 -98.7 90.1 13.4 29.2 10.5 30 33 A L E +I 45 0C 0 -2,-1.0 15,-0.2 242,-0.9 3,-0.1 -0.713 7.6 176.3 -77.6 122.5 13.8 28.8 14.3 31 34 A E E - 0 0 7 13,-2.0 2,-0.3 -2,-0.6 -1,-0.2 0.765 53.2 -15.7-102.1 -33.1 16.7 31.1 15.1 32 35 A N E - 0 0 6 12,-0.5 12,-2.1 40,-0.1 2,-0.3 -0.959 52.9-153.0-162.2 179.0 17.0 31.0 18.8 33 36 A L E -I 43 0C 6 -2,-0.3 2,-0.3 10,-0.2 10,-0.2 -0.986 3.2-160.8-160.8 154.8 15.3 30.0 22.1 34 37 A A E -I 42 0C 8 8,-2.3 8,-3.1 -2,-0.3 2,-0.3 -0.989 19.1-134.5-144.3 138.0 15.3 30.8 25.8 35 38 A S E -I 41 0C 9 -2,-0.3 6,-0.2 223,-0.2 40,-0.1 -0.705 13.9-139.0 -94.0 143.5 13.9 28.7 28.6 36 39 A A > - 0 0 4 4,-3.1 3,-3.0 -2,-0.3 224,-0.3 -0.809 24.3-116.3 -99.1 145.7 11.7 30.0 31.4 37 40 A P T 3 S+ 0 0 95 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.705 115.9 58.3 -55.5 -20.3 12.1 29.0 35.1 38 41 A D T 3 S- 0 0 121 2,-0.1 -3,-0.0 223,-0.1 223,-0.0 0.578 126.6 -97.9 -81.9 -10.3 8.6 27.3 35.0 39 42 A G S < S+ 0 0 12 -3,-3.0 2,-0.2 1,-0.4 222,-0.0 0.261 78.9 136.4 114.7 -11.2 9.7 25.1 32.1 40 43 A T - 0 0 31 -5,-0.1 -4,-3.1 15,-0.1 2,-0.5 -0.519 40.8-150.9 -77.5 136.7 8.3 27.0 29.2 41 44 A I E -IJ 35 54C 6 13,-2.0 13,-2.4 -6,-0.2 2,-0.4 -0.926 5.4-158.7-107.2 126.2 10.6 27.4 26.1 42 45 A F E -IJ 34 53C 25 -8,-3.1 -8,-2.3 -2,-0.5 2,-0.3 -0.907 12.6-173.6-102.5 135.3 10.3 30.4 23.9 43 46 A V E -IJ 33 52C 0 9,-2.7 9,-2.5 -2,-0.4 2,-0.6 -0.898 23.3-123.3-125.4 156.4 11.5 30.3 20.3 44 47 A T E - J 0 51C 0 -12,-2.1 -13,-2.0 -2,-0.3 2,-0.9 -0.906 10.7-161.3-102.2 118.1 12.0 32.8 17.6 45 48 A N E > -IJ 30 50C 19 5,-2.9 5,-1.6 -2,-0.6 3,-0.5 -0.874 21.0-162.4 -95.1 96.0 10.2 32.0 14.3 46 49 A H T > 5S+ 0 0 13 -17,-2.4 3,-1.2 -2,-0.9 24,-1.1 0.824 72.5 47.7 -57.4 -55.8 12.3 34.3 12.3 47 50 A E T 3 5S+ 0 0 93 1,-0.3 -1,-0.2 -18,-0.2 21,-0.1 0.789 118.8 39.7 -66.0 -31.7 10.6 35.0 9.0 48 51 A V T 3 5S- 0 0 72 -3,-0.5 -1,-0.3 2,-0.1 -2,-0.2 0.317 105.2-123.6-100.4 3.1 7.1 35.7 10.5 49 52 A G T < 5 + 0 0 0 -3,-1.2 17,-3.0 -4,-0.5 2,-0.4 0.726 59.2 148.7 64.0 27.1 8.5 37.7 13.5 50 53 A E E < -JK 45 65C 46 -5,-1.6 -5,-2.9 15,-0.2 2,-0.7 -0.756 42.8-154.5-100.1 135.9 6.8 35.4 16.0 51 54 A I E -JK 44 64C 0 13,-2.5 12,-2.0 -2,-0.4 13,-1.7 -0.952 25.8-163.1-102.0 114.4 7.9 34.5 19.5 52 55 A V E -JK 43 62C 4 -9,-2.5 -9,-2.7 -2,-0.7 2,-0.3 -0.856 10.2-144.9-106.1 130.7 6.3 31.1 20.2 53 56 A S E -JK 42 61C 15 8,-2.9 8,-2.0 -2,-0.4 2,-0.5 -0.732 11.8-158.9 -91.3 143.1 5.9 29.5 23.6 54 57 A I E -JK 41 60C 2 -13,-2.4 -13,-2.0 -2,-0.3 6,-0.2 -0.988 5.1-149.3-126.8 119.0 6.2 25.7 23.9 55 58 A T > - 0 0 51 4,-2.4 3,-1.8 -2,-0.5 -15,-0.1 -0.357 35.8-100.5 -77.2 165.1 4.8 23.8 26.8 56 59 A P T 3 S+ 0 0 105 0, 0.0 -1,-0.1 0, 0.0 -17,-0.0 0.858 124.6 57.1 -56.7 -36.9 6.4 20.5 28.0 57 60 A D T 3 S- 0 0 99 1,-0.1 -3,-0.0 2,-0.1 0, 0.0 0.574 124.1-105.3 -70.1 -11.4 3.8 18.4 26.1 58 61 A G < + 0 0 13 -3,-1.8 2,-0.2 1,-0.3 -35,-0.2 0.523 68.3 149.2 100.4 7.9 4.9 20.2 22.9 59 62 A N - 0 0 56 -37,-0.1 -4,-2.4 1,-0.0 2,-0.4 -0.560 32.6-148.9 -75.6 141.9 1.9 22.6 22.5 60 63 A Q E +K 54 0C 82 -2,-0.2 2,-0.4 -6,-0.2 -6,-0.2 -0.890 18.5 176.4-115.8 136.9 2.7 25.9 20.8 61 64 A Q E -K 53 0C 70 -8,-2.0 -8,-2.9 -2,-0.4 2,-0.8 -0.996 37.7-113.8-137.0 142.7 1.1 29.3 21.2 62 65 A I E -K 52 0C 95 -2,-0.4 -10,-0.2 -10,-0.2 3,-0.1 -0.608 32.4-177.2 -72.1 106.8 2.2 32.6 19.6 63 66 A H E - 0 0 37 -12,-2.0 2,-0.3 -2,-0.8 -11,-0.2 0.879 62.5 -14.3 -70.2 -44.7 3.4 34.6 22.6 64 67 A A E -K 51 0C 5 -13,-1.7 -13,-2.5 -3,-0.1 2,-0.4 -0.978 54.5-142.0-157.2 164.7 4.1 37.8 20.6 65 68 A T E -K 50 0C 78 36,-0.5 2,-0.3 -2,-0.3 -15,-0.2 -0.982 14.8-162.1-140.7 122.6 4.6 39.2 17.1 66 69 A V - 0 0 14 -17,-3.0 2,-0.5 -2,-0.4 4,-0.1 -0.679 32.3-101.3 -98.1 156.1 7.1 41.8 16.1 67 70 A E S S- 0 0 167 -2,-0.3 2,-0.4 2,-0.1 19,-0.1 -0.665 95.0 -7.7 -68.7 123.7 7.2 44.0 13.0 68 71 A G S S- 0 0 28 -2,-0.5 2,-0.3 19,-0.1 19,-0.2 -0.687 114.3 -21.5 92.9-136.8 9.7 42.4 10.7 69 72 A K E -L 86 0D 70 17,-2.0 17,-1.8 -2,-0.4 2,-0.4 -0.765 50.3-151.3-120.6 156.2 11.9 39.5 11.7 70 73 A V E +L 85 0D 2 -24,-1.1 15,-0.3 -2,-0.3 -39,-0.2 -0.991 24.2 151.8-136.6 137.5 13.1 38.2 15.1 71 74 A S E + 0 0 0 13,-3.3 -27,-0.2 1,-0.4 14,-0.2 0.634 51.5 44.4-128.6 -80.8 16.3 36.3 16.0 72 75 A G E - 0 0 0 44,-0.5 12,-1.7 43,-0.3 -1,-0.4 -0.480 56.6-169.9 -85.9 154.9 18.0 36.5 19.4 73 76 A L E +L 83 0D 9 45,-0.3 2,-0.3 10,-0.2 45,-0.3 -0.993 11.1 167.8-145.4 137.7 16.2 36.2 22.8 74 77 A A E -L 82 0D 5 8,-2.1 8,-3.2 -2,-0.3 2,-0.2 -0.987 32.4-118.4-146.5 141.2 17.2 36.7 26.4 75 78 A F E -L 81 0D 40 -2,-0.3 6,-0.2 227,-0.2 2,-0.2 -0.500 23.9-142.5 -74.4 145.7 15.1 37.0 29.6 76 79 A T > - 0 0 19 4,-2.8 3,-2.3 -2,-0.2 48,-0.1 -0.655 32.1 -99.9 -97.9 163.2 15.2 40.2 31.6 77 80 A S T 3 S+ 0 0 87 46,-0.5 47,-0.1 1,-0.3 -2,-0.0 0.759 123.3 55.5 -53.3 -31.2 15.2 40.2 35.4 78 81 A N T 3 S- 0 0 83 1,-0.0 -1,-0.3 2,-0.0 21,-0.1 0.468 122.7-103.7 -82.3 -1.9 11.4 41.0 35.4 79 82 A G S < S+ 0 0 35 -3,-2.3 -2,-0.1 1,-0.3 2,-0.1 0.583 83.5 124.1 85.7 11.6 10.6 37.9 33.3 80 83 A D - 0 0 12 18,-0.1 -4,-2.8 19,-0.0 2,-0.4 -0.419 59.5-116.1 -86.8 175.6 10.2 39.9 30.0 81 84 A L E -LM 75 97D 2 16,-2.8 16,-3.2 -6,-0.2 2,-0.4 -0.942 11.1-151.1-117.4 135.9 12.2 39.1 26.9 82 85 A V E -LM 74 96D 0 -8,-3.2 -8,-2.1 -2,-0.4 2,-0.4 -0.917 26.1-170.1 -96.3 135.5 14.8 41.2 25.0 83 86 A A E -LM 73 95D 0 12,-2.6 12,-2.9 -2,-0.4 2,-0.3 -0.966 17.6-149.1-130.8 141.2 14.8 40.3 21.3 84 87 A T E + M 0 94D 1 -12,-1.7 -13,-3.3 -2,-0.4 2,-0.3 -0.806 40.0 115.7 -99.0 152.6 17.0 41.2 18.4 85 88 A G E -LM 70 93D 4 8,-1.7 8,-2.2 -2,-0.3 2,-0.4 -0.946 56.2 -77.8-178.7-157.7 15.7 41.4 14.8 86 89 A W E -LM 69 92D 67 -17,-1.8 -17,-2.0 6,-0.3 2,-0.0 -0.969 33.5-132.7-127.8 141.2 15.0 43.5 11.8 87 90 A N > - 0 0 34 4,-2.3 3,-2.1 -2,-0.4 -18,-0.2 -0.154 47.7 -80.9 -77.0-176.6 12.1 46.0 11.2 88 91 A A T 3 S+ 0 0 77 1,-0.3 -20,-0.1 2,-0.1 -1,-0.0 0.745 133.5 53.8 -60.1 -24.4 10.1 46.1 8.0 89 92 A D T 3 S- 0 0 128 2,-0.1 -1,-0.3 3,-0.0 -21,-0.0 0.238 120.1-107.6 -95.7 12.0 12.9 48.1 6.4 90 93 A S S < S+ 0 0 64 -3,-2.1 -2,-0.1 1,-0.3 -22,-0.0 0.779 74.2 139.0 68.9 27.7 15.6 45.5 7.2 91 94 A I - 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