==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 26-JUL-07 2QQC . COMPND 2 MOLECULE: PYRUVOYL-DEPENDENT ARGININE DECARBOXYLASE (EC . SOURCE 2 ORGANISM_SCIENTIFIC: METHANOCALDOCOCCUS JANNASCHII; . AUTHOR S.E.EALICK,E.S.SORIANO . 935 12 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37018.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 643 68.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 50 5.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 268 28.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 0 0.0 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 . 87 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 163 17.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 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 6 0 0 0 0 0 0 6 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 6 0 6 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 . 11 0 0 0 0 0 6 6 0 6 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 5 1 1 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 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 P 0 0 145 0, 0.0 3,-0.1 0, 0.0 4,-0.0 0.000 360.0 360.0 360.0 148.0 14.8 28.3 -7.9 2 8 A L + 0 0 192 1,-0.2 2,-0.4 2,-0.0 0, 0.0 0.598 360.0 47.5 -72.2 -11.7 13.0 30.5 -5.4 3 9 A H S S- 0 0 63 2,-0.0 -1,-0.2 161,-0.0 2,-0.1 -0.945 89.4-130.1-135.2 111.4 9.9 28.4 -6.0 4 10 A A - 0 0 34 -2,-0.4 2,-0.5 -3,-0.1 160,-0.1 -0.376 23.2-151.8 -61.5 130.7 10.2 24.6 -6.0 5 11 A Y - 0 0 153 -2,-0.1 2,-0.1 159,-0.0 -1,-0.1 -0.901 15.3-119.5-109.6 135.0 8.6 23.0 -9.1 6 12 A F + 0 0 60 -2,-0.5 2,-0.3 323,-0.0 323,-0.1 -0.429 41.5 171.8 -67.9 141.2 7.2 19.6 -9.0 7 13 A K - 0 0 87 321,-0.3 3,-0.1 -2,-0.1 151,-0.0 -0.997 32.6-120.5-153.0 153.4 8.8 17.2 -11.5 8 14 A L - 0 0 37 -2,-0.3 218,-0.1 1,-0.2 217,-0.0 -0.504 57.3 -76.3 -85.4 159.9 8.9 13.6 -12.5 9 15 A P - 0 0 2 0, 0.0 149,-0.2 0, 0.0 -1,-0.2 -0.313 45.6-171.3 -55.4 142.1 12.2 11.7 -12.3 10 16 A N + 0 0 44 147,-1.8 44,-2.1 43,-0.1 2,-0.3 0.230 60.2 61.3-122.6 12.3 14.3 12.8 -15.3 11 17 A T E -aB 54 157A 4 146,-1.6 146,-2.2 42,-0.2 2,-0.4 -0.996 55.2-168.1-139.3 144.7 17.2 10.4 -15.0 12 18 A V E -aB 55 156A 0 42,-2.1 44,-2.0 -2,-0.3 2,-0.4 -1.000 8.0-171.3-132.5 129.8 17.4 6.6 -15.1 13 19 A S E - B 0 155A 1 142,-2.2 142,-3.0 -2,-0.4 2,-0.5 -0.989 13.3-145.4-127.4 128.1 20.6 4.7 -14.1 14 20 A L E + B 0 154A 38 -2,-0.4 2,-0.3 42,-0.3 44,-0.2 -0.784 27.7 165.4 -93.3 129.0 21.2 1.0 -14.6 15 21 A V E - B 0 153A 13 138,-2.5 138,-3.2 -2,-0.5 2,-0.3 -0.954 10.0-179.6-138.7 158.3 23.2 -0.7 -11.9 16 22 A A E + B 0 152A 23 -2,-0.3 2,-0.3 136,-0.2 136,-0.2 -0.990 7.6 155.4-157.1 153.3 23.9 -4.4 -10.9 17 23 A G E - B 0 151A 1 134,-2.8 134,-3.1 -2,-0.3 2,-0.3 -0.985 19.1-150.0-169.0 170.2 25.8 -6.3 -8.4 18 24 A S E + B 0 150A 25 -2,-0.3 2,-0.3 132,-0.2 132,-0.2 -0.961 16.1 168.7-147.8 162.7 26.1 -9.6 -6.4 19 25 A S E - B 0 149A 25 130,-1.7 130,-2.3 -2,-0.3 12,-0.2 -0.945 31.5-118.9-174.2 151.0 27.3 -10.7 -3.1 20 26 A E E - B 0 148A 41 -2,-0.3 2,-0.3 128,-0.3 128,-0.3 -0.492 37.2-175.9 -86.6 165.4 27.5 -13.6 -0.6 21 27 A G - 0 0 17 126,-2.0 6,-0.1 -2,-0.2 125,-0.1 -0.981 40.2-123.5-161.5 155.0 26.0 -12.9 2.8 22 28 A E S S+ 0 0 130 -2,-0.3 -1,-0.1 1,-0.1 3,-0.1 0.729 104.4 15.6 -73.2 -22.0 25.5 -14.6 6.2 23 29 A T S > S- 0 0 30 1,-0.1 4,-2.5 124,-0.1 5,-0.2 -0.941 90.8-101.3-143.3 161.9 21.8 -14.2 5.8 24 30 A P H > S+ 0 0 70 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.929 122.5 48.6 -52.7 -47.3 19.5 -13.4 2.8 25 31 A L H > S+ 0 0 43 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.863 110.9 49.0 -63.6 -37.4 19.2 -9.8 3.9 26 32 A N H > S+ 0 0 0 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.884 112.3 49.5 -69.7 -35.0 22.9 -9.3 4.4 27 33 A A H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 122,-0.3 0.922 112.0 47.7 -66.7 -43.9 23.5 -10.9 1.0 28 34 A F H X S+ 0 0 14 -4,-2.7 4,-2.2 -5,-0.2 -2,-0.2 0.917 112.6 49.8 -61.1 -44.1 20.9 -8.6 -0.6 29 35 A D H X S+ 0 0 11 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.927 110.5 49.3 -61.6 -45.4 22.6 -5.6 1.2 30 36 A G H X S+ 0 0 5 -4,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.881 108.4 54.6 -62.2 -36.6 26.0 -6.7 -0.0 31 37 A A H X S+ 0 0 0 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.920 109.2 46.4 -63.9 -44.7 24.6 -6.9 -3.6 32 38 A L H X>S+ 0 0 5 -4,-2.2 5,-2.1 2,-0.2 4,-0.9 0.917 111.7 51.6 -63.7 -42.0 23.3 -3.4 -3.4 33 39 A L H ><5S+ 0 0 47 -4,-2.5 3,-1.2 4,-0.2 5,-0.3 0.949 110.4 48.6 -59.2 -46.2 26.6 -2.2 -2.0 34 40 A N H 3<5S+ 0 0 106 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.840 110.5 52.4 -60.5 -34.2 28.4 -3.9 -4.9 35 41 A A H 3<5S- 0 0 12 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.591 118.3-113.4 -79.4 -11.3 25.9 -2.3 -7.3 36 42 A G T <<5S+ 0 0 49 -3,-1.2 -3,-0.2 -4,-0.9 3,-0.1 0.557 97.2 87.6 92.7 6.8 26.7 1.2 -5.9 37 43 A I > < + 0 0 3 -5,-2.1 3,-0.8 -6,-0.1 -4,-0.2 -0.069 45.9 118.4-127.2 35.3 23.3 1.9 -4.3 38 44 A G T 3 S+ 0 0 4 -6,-0.5 -5,-0.2 -5,-0.3 -1,-0.1 0.627 71.4 52.7 -77.7 -13.5 23.8 0.4 -0.9 39 45 A N T 3 S+ 0 0 33 -7,-0.2 25,-2.6 -3,-0.1 2,-0.3 0.088 95.0 75.2-113.9 27.2 23.4 3.5 1.2 40 46 A V S < S- 0 0 8 -3,-0.8 2,-0.7 23,-0.2 26,-0.2 -0.851 84.8-104.8-127.3 164.5 20.1 4.9 -0.1 41 47 A N E -c 66 0A 1 24,-2.8 26,-2.5 -2,-0.3 2,-0.4 -0.831 33.1-145.3 -94.3 111.7 16.5 3.8 0.6 42 48 A L E -c 67 0A 0 -2,-0.7 329,-2.5 24,-0.2 2,-0.7 -0.623 7.6-161.3 -79.7 131.0 15.1 2.0 -2.4 43 49 A I E -c 68 0A 2 24,-2.8 26,-2.7 -2,-0.4 327,-0.1 -0.926 25.3-134.1-109.7 100.4 11.4 2.5 -3.1 44 50 A R E -c 69 0A 87 -2,-0.7 161,-0.5 325,-0.5 2,-0.3 -0.347 14.8-143.0 -62.2 129.1 10.5 -0.4 -5.3 45 51 A I B E 204 0B 7 24,-2.1 26,-0.3 1,-0.1 159,-0.2 -0.690 360.0 360.0 -92.1 146.7 8.5 0.5 -8.4 46 52 A S 0 0 45 157,-3.0 -1,-0.1 -2,-0.3 158,-0.1 0.775 360.0 360.0-108.8 360.0 5.7 -1.8 -9.6 47 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 48 54 B I 0 0 15 0, 0.0 52,-0.2 0, 0.0 154,-0.1 0.000 360.0 360.0 360.0 125.0 8.5 3.4 -16.4 49 55 B M B -J 99 0C 11 50,-2.2 50,-2.7 41,-0.2 3,-0.1 -0.838 360.0-121.5 -90.6 116.3 11.1 5.8 -17.6 50 56 B P > - 0 0 2 0, 0.0 3,-1.8 0, 0.0 175,-0.2 -0.180 35.6 -89.9 -56.5 149.8 9.3 9.2 -17.8 51 57 B P T 3 S+ 0 0 33 0, 0.0 47,-0.1 0, 0.0 45,-0.1 -0.315 114.4 18.9 -61.0 144.5 9.3 10.9 -21.2 52 58 B E T 3 S+ 0 0 146 43,-0.4 2,-0.1 45,-0.3 46,-0.1 0.453 94.2 135.0 73.9 -1.6 12.2 13.2 -21.8 53 59 B A < - 0 0 14 -3,-1.8 2,-0.4 -4,-0.1 -1,-0.3 -0.424 47.1-137.4 -73.9 158.3 14.1 11.4 -19.0 54 60 B E E -a 11 0A 55 -44,-2.1 -42,-2.1 -3,-0.1 2,-0.7 -0.953 8.5-124.6-126.4 140.5 17.7 10.5 -19.8 55 61 B I E +a 12 0A 42 -2,-0.4 -42,-0.2 -44,-0.2 -44,-0.0 -0.712 47.4 159.8 -80.2 116.4 19.8 7.3 -19.2 56 62 B V - 0 0 33 -44,-2.0 -42,-0.3 -2,-0.7 705,-0.1 -0.866 46.6 -83.5-133.9 166.1 22.9 8.5 -17.2 57 63 B P S S- 0 0 53 0, 0.0 705,-0.1 0, 0.0 -42,-0.1 -0.369 70.1 -75.7 -66.9 153.9 25.5 7.0 -15.0 58 64 B L - 0 0 54 -44,-0.2 3,-0.0 704,-0.1 -45,-0.0 -0.269 57.4-137.4 -52.4 121.5 24.4 6.6 -11.3 59 65 B P - 0 0 44 0, 0.0 2,-1.1 0, 0.0 -1,-0.1 -0.247 31.8 -81.7 -77.4 172.0 24.6 10.1 -9.9 60 66 B K - 0 0 202 1,-0.0 -2,-0.0 -2,-0.0 0, 0.0 -0.649 55.1-159.4 -75.6 103.3 25.9 11.0 -6.4 61 67 B L - 0 0 31 -2,-1.1 2,-0.1 1,-0.1 3,-0.1 -0.694 20.2-112.3 -89.5 136.2 22.9 10.2 -4.3 62 68 B P > - 0 0 65 0, 0.0 3,-2.2 0, 0.0 -1,-0.1 -0.439 45.6 -97.4 -64.3 135.5 22.5 11.7 -0.8 63 69 B M T 3 S+ 0 0 60 1,-0.3 -23,-0.2 -2,-0.1 -25,-0.0 -0.302 110.2 17.3 -56.0 132.7 22.8 8.9 1.8 64 70 B G T 3 S+ 0 0 0 -25,-2.6 -1,-0.3 1,-0.2 -24,-0.2 0.458 87.8 155.5 84.6 -0.2 19.3 7.8 2.9 65 71 B A < - 0 0 0 -3,-2.2 -24,-2.8 -26,-0.3 2,-1.1 -0.249 51.0-117.7 -59.3 148.3 17.6 9.3 -0.1 66 72 B L E -c 41 0A 9 264,-0.3 -24,-0.2 260,-0.2 -1,-0.1 -0.775 39.8-172.1 -91.4 97.3 14.3 7.8 -1.1 67 73 B V E -c 42 0A 0 -26,-2.5 -24,-2.8 -2,-1.1 2,-0.3 -0.830 22.8-135.2-101.7 115.0 15.1 6.5 -4.6 68 74 B P E +c 43 0A 2 0, 0.0 88,-2.8 0, 0.0 2,-0.4 -0.514 39.7 176.8 -64.4 120.9 12.3 5.1 -6.8 69 75 B T E -cD 44 155A 0 -26,-2.7 -24,-2.1 -2,-0.3 2,-0.5 -0.993 31.8-152.0-139.2 135.5 13.9 2.0 -8.2 70 76 B A E + D 0 154A 5 84,-2.4 84,-2.8 -2,-0.4 2,-0.3 -0.893 38.0 160.6-100.3 125.7 12.8 -0.9 -10.4 71 77 B Y E - D 0 153A 12 -2,-0.5 2,-0.3 -26,-0.3 82,-0.2 -0.971 34.2-155.1-147.5 163.9 14.7 -4.0 -9.6 72 78 B G E + D 0 152A 0 80,-2.4 80,-2.4 -2,-0.3 2,-0.3 -0.970 23.4 169.1-132.6 145.8 15.0 -7.8 -9.8 73 79 B Y E - 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0 0 0 -47,-0.1 2,-0.3 -2,-0.1 -4,-0.1 -0.533 22.6-114.1-101.5 168.3 7.7 6.8 -22.1 99 105 B G B -J 49 0C 0 -50,-2.7 -50,-2.2 -2,-0.2 2,-0.5 -0.685 26.2-129.3 -97.5 155.7 10.3 4.1 -21.8 100 106 B L E -L 90 0D 6 -10,-1.9 -10,-3.0 -2,-0.3 2,-0.5 -0.928 14.4-155.2-111.8 127.3 9.5 0.6 -20.4 101 107 B I E -L 89 0D 14 -2,-0.5 2,-0.3 -12,-0.2 -12,-0.2 -0.869 12.5-172.3-102.9 124.4 11.6 -0.9 -17.7 102 108 B M E -L 88 0D 4 -14,-2.3 -14,-2.2 -2,-0.5 2,-0.3 -0.865 4.0-161.8-115.9 151.0 11.6 -4.7 -17.3 103 109 B Q E +L 87 0D 37 -2,-0.3 2,-0.3 -16,-0.2 -16,-0.2 -0.948 10.8 172.4-130.6 150.7 13.2 -6.8 -14.6 104 110 B Y E +L 86 0D 63 -18,-1.9 -18,-2.8 -2,-0.3 2,-0.3 -0.986 5.9 174.7-158.0 146.3 14.2 -10.5 -14.5 105 111 B E E +L 85 0D 75 -2,-0.3 2,-0.3 -20,-0.3 -20,-0.2 -0.984 17.1 135.0-150.5 151.5 16.0 -12.9 -12.3 106 112 B G E -L 84 0D 10 -22,-2.1 -22,-2.4 -2,-0.3 2,-1.5 -0.989 61.8 -72.2-178.1 178.7 16.5 -16.7 -12.3 107 113 B K S S+ 0 0 144 -2,-0.3 2,-0.3 -24,-0.2 -24,-0.2 -0.675 93.6 89.7 -91.6 79.1 18.8 -19.7 -11.9 108 114 B C S S- 0 0 24 -2,-1.5 -2,-0.2 -27,-0.1 2,-0.0 -0.944 80.0 -68.7-159.7 176.8 20.7 -19.1 -15.2 109 115 B S > - 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