==== 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 LYASE 29-MAR-01 1IBT . COMPND 2 MOLECULE: HISTIDINE DECARBOXYLASE BETA CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: LACTOBACILLUS SP.; . AUTHOR S.WORLEY,E.SCHELP,A.F.MONZINGO,S.ERNST,J.D.ROBERTUS . 922 7 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 31973.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 684 74.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 65 7.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 187 20.3 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 . 3 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 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 . 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 . 77 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 96 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 202 21.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 1.4 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 3 0 3 3 0 3 4 1 1 0 0 0 0 0 0 0 0 0 0 0 0 3 0 0 0 0 RESIDUES PER ALPHA HELIX . 10 3 9 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 . 8 9 0 2 1 0 1 2 3 3 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 3 3 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 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 S >> 0 0 55 0, 0.0 4,-1.4 0, 0.0 3,-1.2 0.000 360.0 360.0 360.0 172.9 -11.8 4.1 73.1 2 2 A E H 3> + 0 0 140 1,-0.3 4,-1.1 2,-0.2 5,-0.1 0.793 360.0 60.5 -58.0 -23.0 -13.9 7.0 74.3 3 3 A L H 3> S+ 0 0 37 2,-0.2 4,-2.3 1,-0.2 3,-0.4 0.914 97.8 57.1 -70.9 -39.5 -10.8 8.9 75.1 4 4 A D H <> S+ 0 0 16 -3,-1.2 4,-3.0 1,-0.3 5,-0.2 0.941 102.2 56.4 -58.6 -42.0 -9.6 8.8 71.4 5 5 A A H X S+ 0 0 47 -4,-1.4 4,-0.9 1,-0.2 -1,-0.3 0.861 108.1 46.4 -57.9 -36.1 -12.9 10.5 70.5 6 6 A K H < S+ 0 0 88 -4,-1.1 -1,-0.2 -3,-0.4 -2,-0.2 0.896 114.9 50.3 -71.3 -33.5 -12.1 13.4 72.9 7 7 A L H ><>S+ 0 0 1 -4,-2.3 3,-2.5 1,-0.2 5,-1.8 0.885 100.2 59.8 -68.9 -44.4 -8.6 13.5 71.4 8 8 A N H ><5S+ 0 0 87 -4,-3.0 3,-1.7 1,-0.3 -1,-0.2 0.859 94.4 65.7 -60.0 -30.3 -9.6 13.6 67.8 9 9 A K T 3<5S+ 0 0 181 -4,-0.9 -1,-0.3 1,-0.3 -2,-0.2 0.631 102.7 49.5 -70.3 -9.0 -11.5 16.8 68.4 10 10 A L T < 5S- 0 0 38 -3,-2.5 322,-1.7 2,-0.2 -1,-0.3 0.407 125.3 -99.2-103.9 -5.5 -8.1 18.4 69.1 11 11 A G T < 5S+ 0 0 32 -3,-1.7 2,-0.3 -4,-0.4 -3,-0.2 0.405 84.4 125.5 103.4 2.4 -6.4 17.1 66.1 12 12 A V < + 0 0 1 -5,-1.8 -1,-0.4 -6,-0.1 2,-0.3 -0.712 31.4 174.3-103.0 142.0 -4.7 14.3 67.8 13 13 A D - 0 0 24 -2,-0.3 -8,-0.0 22,-0.2 -9,-0.0 -0.936 27.0-147.7-134.7 162.7 -4.9 10.6 67.0 14 14 A R + 0 0 10 -2,-0.3 2,-0.4 22,-0.2 73,-0.1 -0.278 48.9 137.1-122.0 42.9 -3.1 7.7 68.5 15 15 A I + 0 0 37 2,-0.0 21,-3.0 249,-0.0 2,-0.3 -0.825 22.2 171.8 -95.0 133.2 -2.8 5.6 65.3 16 16 A A + 0 0 2 -2,-0.4 249,-2.0 262,-0.2 2,-0.4 -0.818 5.5 168.0-144.5 98.3 0.6 3.9 64.9 17 17 A I E -Ab 33 265A 1 16,-2.9 16,-2.5 -2,-0.3 248,-0.1 -0.950 24.3-145.2-127.7 137.9 1.0 1.4 62.1 18 18 A S E - b 0 266A 0 247,-2.9 249,-0.8 -2,-0.4 14,-0.1 -0.783 8.5-146.9 -95.8 131.7 4.0 -0.2 60.6 19 19 A P + 0 0 33 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 0.543 68.0 96.4 -68.8 -7.5 4.1 -1.0 56.9 20 20 A Y S S- 0 0 7 3,-0.3 247,-0.5 1,-0.1 248,-0.4 -0.317 79.4-108.4 -96.2 170.9 6.2 -4.1 57.4 21 21 A K S S- 0 0 102 607,-2.1 2,-2.5 245,-0.1 -1,-0.1 -0.779 94.1 -20.1 -86.8 133.3 5.7 -7.7 57.8 22 22 A Q S S+ 0 0 61 -2,-0.4 -1,-0.1 1,-0.1 2,-0.1 -0.269 110.4 98.4 66.7 -51.8 6.4 -8.9 61.4 23 23 A W - 0 0 11 -2,-2.5 -3,-0.3 119,-0.1 2,-0.2 -0.281 59.1-146.5 -75.7 144.8 8.5 -6.0 62.6 24 24 A T B -c 144 0B 0 119,-2.3 121,-2.1 241,-0.1 2,-0.3 -0.512 24.7-164.6 -85.6 171.8 7.5 -3.0 64.7 25 25 A R E -D 264 0C 0 239,-1.2 239,-1.8 119,-0.2 2,-0.1 -0.931 22.6 -72.9-152.1 177.6 9.3 0.2 63.9 26 26 A G E > -D 263 0C 0 -2,-0.3 3,-1.8 237,-0.2 237,-0.3 -0.386 43.0-101.0 -90.5 153.4 9.9 3.5 65.5 27 27 A Y T 3 S+ 0 0 6 235,-2.7 124,-0.3 1,-0.3 -1,-0.1 -0.402 108.8 24.4 -62.1 144.2 7.7 6.5 65.9 28 28 A M T 3 S+ 0 0 40 1,-0.3 -1,-0.3 8,-0.2 3,-0.1 0.186 86.1 135.5 76.1 -5.8 8.5 9.2 63.4 29 29 A E X - 0 0 5 -3,-1.8 3,-1.2 120,-0.1 -1,-0.3 -0.431 64.7 -98.7 -69.3 145.8 10.0 6.8 60.8 30 30 A P T 3 S+ 0 0 33 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.295 103.8 29.1 -67.5 140.4 8.7 7.4 57.2 31 31 A G T 3 S+ 0 0 29 1,-0.4 2,-0.3 -3,-0.1 -2,-0.1 0.466 80.8 132.6 93.5 -1.0 5.9 5.2 55.9 32 32 A N < - 0 0 33 -3,-1.2 2,-0.5 -14,-0.1 -1,-0.4 -0.620 54.5-132.9 -78.3 145.5 4.3 4.6 59.2 33 33 A I B +A 17 0A 60 -16,-2.5 -16,-2.9 -2,-0.3 3,-0.2 -0.888 67.0 33.9 -99.5 126.2 0.6 5.1 59.0 34 34 A G S S- 0 0 20 -2,-0.5 -18,-0.1 -18,-0.2 -2,-0.1 -0.280 73.8-110.8 116.9 161.6 -0.8 7.2 61.8 35 35 A N S S+ 0 0 42 -2,-0.1 -22,-0.2 307,-0.1 2,-0.2 0.128 85.5 68.4-119.3 23.5 0.2 10.1 64.0 36 36 A G - 0 0 5 -21,-3.0 2,-0.3 -3,-0.2 -8,-0.2 -0.570 64.7-131.0-126.8-169.9 0.6 8.5 67.3 37 37 A Y E -e 88 0C 1 50,-2.6 52,-1.2 -2,-0.2 2,-0.4 -0.978 2.7-141.7-147.2 155.7 2.9 6.0 69.1 38 38 A V E -eF 89 263C 1 225,-2.5 225,-2.6 -2,-0.3 2,-0.3 -0.939 24.0-174.6-117.7 142.9 2.8 2.9 71.3 39 39 A T E -eF 90 262C 1 50,-2.3 52,-3.1 -2,-0.4 2,-0.3 -0.812 5.8-176.1-132.8 173.4 5.3 2.4 74.1 40 40 A G - 0 0 0 221,-0.6 2,-0.5 -2,-0.3 87,-0.1 -0.903 28.7 -98.2-160.0 174.6 6.3 -0.4 76.6 41 41 A L + 0 0 2 85,-0.5 2,-0.4 -2,-0.3 89,-0.2 -0.930 33.5 170.7-115.7 119.1 8.6 -1.1 79.6 42 42 A K E +G 259 0C 5 217,-2.3 217,-2.6 -2,-0.5 2,-0.4 -0.992 4.0 165.1-124.6 127.1 12.0 -2.9 79.4 43 43 A V E +G 258 0C 0 -2,-0.4 2,-0.3 215,-0.2 215,-0.2 -0.972 19.1 149.5-133.6 117.1 14.4 -3.1 82.4 44 44 A D E +G 257 0C 1 213,-2.4 213,-3.2 -2,-0.4 2,-0.3 -0.993 15.1 172.2-148.8 157.3 17.2 -5.7 82.0 45 45 A A E -G 256 0C 9 265,-0.5 2,-0.3 -2,-0.3 211,-0.2 -0.988 9.9-161.4-153.2 167.3 20.8 -6.3 83.1 46 46 A G E -G 255 0C 25 209,-1.9 209,-1.1 -2,-0.3 2,-0.5 -0.861 28.5-116.6-152.5 175.8 23.4 -8.9 83.0 47 47 A V E +G 254 0C 51 -2,-0.3 2,-0.2 207,-0.2 207,-0.2 -0.978 35.8 176.2-110.7 113.6 26.6 -10.5 84.2 48 48 A R E -G 253 0C 28 205,-2.6 205,-1.0 -2,-0.5 13,-0.1 -0.618 29.9-123.2-135.1 75.6 29.0 -10.5 81.2 49 49 A D E -G 252 0C 113 203,-0.3 203,-0.3 -2,-0.2 202,-0.1 0.184 46.0 -62.7 -21.1 103.2 32.6 -11.9 82.0 50 50 A K + 0 0 59 201,-1.4 2,-0.2 1,-0.1 202,-0.1 0.854 55.6 134.2 21.0 143.2 35.8 -9.7 81.4 51 51 A S - 0 0 68 200,-0.2 2,-0.9 3,-0.0 3,-0.1 -0.668 39.3 -24.2-161.1-161.8 37.8 -8.0 78.6 52 52 A D S >S- 0 0 66 -2,-0.2 5,-0.6 1,-0.2 4,-0.0 -0.825 84.0 -45.3 -95.8 105.6 39.8 -5.7 76.4 53 53 A N T > 5 - 0 0 102 -2,-0.9 3,-0.9 3,-0.1 4,-0.4 0.853 65.9 -69.3 30.0 125.6 39.2 -2.1 77.0 54 54 A N T >>5S+ 0 0 74 1,-0.2 4,-1.4 2,-0.2 3,-1.1 0.221 110.7 32.5 16.3-124.3 36.6 0.5 77.6 55 55 A V H 3>5S+ 0 0 45 1,-0.2 4,-2.6 762,-0.2 5,-0.2 0.609 123.5 45.8 -18.0 -59.1 34.2 1.4 74.6 56 56 A L H <>5S+ 0 0 4 -3,-0.9 4,-2.1 1,-0.2 -1,-0.2 0.932 112.2 46.2 -61.0 -54.3 34.3 -2.1 73.1 57 57 A D H <>X S+ 0 0 16 -4,-1.4 4,-2.3 2,-0.2 3,-0.5 0.960 105.4 52.6 -58.7 -66.9 30.8 -1.7 77.1 59 59 A I H 3X S+ 0 0 47 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.870 108.1 55.3 -29.8 -50.2 29.0 -1.9 73.7 60 60 A V H 3X S+ 0 0 14 -4,-2.1 4,-2.0 -5,-0.2 -1,-0.2 0.911 105.3 48.1 -67.6 -39.4 29.1 -5.7 74.1 61 61 A S H X S+ 0 0 45 -4,-2.3 4,-2.5 2,-0.2 3,-1.6 0.964 105.8 46.7 -53.8 -64.3 24.8 -3.4 76.0 63 63 A D H 3X S+ 0 0 13 -4,-2.1 4,-2.5 1,-0.3 -1,-0.2 0.875 108.6 59.3 -45.4 -44.7 23.9 -5.8 73.2 64 64 A R H 3< S+ 0 0 61 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.815 110.0 40.0 -56.9 -39.0 23.6 -8.5 75.8 65 65 A A H X< S+ 0 0 2 -3,-1.6 3,-1.3 -4,-1.5 -1,-0.2 0.847 112.0 56.4 -79.6 -38.4 20.9 -6.6 77.7 66 66 A E H 3< S+ 0 0 3 -4,-2.5 6,-2.4 1,-0.3 -2,-0.2 0.868 114.7 39.7 -56.8 -40.4 19.1 -5.5 74.4 67 67 A T T 3< S+ 0 0 8 -4,-2.5 2,-0.5 4,-0.2 70,-0.4 0.127 95.2 102.8 -94.3 11.4 18.8 -9.2 73.4 68 68 A K S < S- 0 0 78 -3,-1.3 2,-0.2 2,-0.2 4,-0.1 -0.908 99.5 -35.8 -95.5 132.1 18.0 -10.3 77.0 69 69 A N S S+ 0 0 23 -2,-0.5 68,-0.5 2,-0.1 2,-0.4 -0.410 133.0 39.8 61.6-126.0 14.3 -11.0 77.4 70 70 A A S S- 0 0 2 -2,-0.2 2,-0.5 66,-0.1 -2,-0.2 -0.425 96.5-126.6 -54.8 109.3 12.1 -8.6 75.3 71 71 A Y + 0 0 0 64,-2.8 -4,-0.2 -2,-0.4 -1,-0.1 -0.485 51.6 149.8 -70.2 113.3 14.2 -8.4 72.1 72 72 A I > + 0 0 4 -6,-2.4 3,-0.6 -2,-0.5 -5,-0.2 -0.220 29.0 154.2-126.2 44.4 15.2 -5.0 70.8 73 73 A G T 3 + 0 0 2 1,-0.2 -9,-0.0 -7,-0.2 -10,-0.0 -0.436 58.9 15.9 -76.1 148.0 18.4 -6.2 69.3 74 74 A Q T 3 S+ 0 0 6 1,-0.2 73,-2.8 72,-0.1 74,-0.3 0.828 86.8 140.8 66.5 41.0 20.0 -4.2 66.3 75 75 A I < - 0 0 2 -3,-0.6 2,-1.1 72,-0.2 -1,-0.2 -0.689 58.5-123.9-110.1 153.6 17.9 -1.1 66.7 76 76 A N - 0 0 2 72,-2.7 74,-0.1 -2,-0.2 2,-0.0 -0.729 36.9-152.7-103.8 84.9 19.4 2.4 66.3 77 77 A M - 0 0 0 -2,-1.1 622,-1.6 622,-0.9 2,-0.3 -0.293 15.4-173.5 -60.6 129.4 18.4 3.7 69.7 78 78 A T E -h 151 0C 12 72,-1.8 74,-2.8 620,-0.2 2,-0.4 -0.942 20.5-125.1-121.0 150.5 17.9 7.4 69.9 79 79 A T E -h 152 0C 52 618,-0.5 307,-0.5 -2,-0.3 2,-0.3 -0.803 23.6-179.2-113.9 141.4 17.3 9.1 73.3 80 80 A A E hI 153 385C 2 72,-1.7 74,-0.6 -2,-0.4 305,-0.2 -0.938 360.0 360.0-124.8 151.3 14.6 11.3 74.6 81 81 A S 0 0 78 303,-1.6 303,-0.9 -2,-0.3 304,-0.1 -0.275 360.0 360.0-166.0 360.0 14.5 12.7 78.2 82 !* 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 83 83 B F 0 0 24 0, 0.0 2,-0.3 0, 0.0 111,-0.2 0.000 360.0 360.0 360.0 162.8 6.6 11.1 78.7 84 84 B T B +A 193 0D 3 109,-2.3 109,-2.7 4,-0.1 370,-0.2 -0.891 360.0 160.0-136.4 108.3 3.6 9.5 76.9 85 85 B G > - 0 0 7 -2,-0.3 3,-2.3 369,-0.3 369,-0.2 0.066 55.8 -30.4-107.2-138.9 1.0 12.1 76.2 86 86 B V T 3 S+ 0 0 2 367,-1.0 368,-0.1 1,-0.3 -79,-0.0 0.666 130.5 52.9 -60.3 -18.0 -2.0 12.5 73.9 87 87 B Q T 3 S+ 0 0 0 366,-0.4 -50,-2.6 -51,-0.1 -1,-0.3 0.436 97.7 85.6 -99.0 6.5 -0.5 10.4 71.2 88 88 B G E < -e 37 0C 3 -3,-2.3 2,-0.3 -52,-0.2 -50,-0.2 -0.700 42.4-175.4-126.9 163.2 0.3 7.3 73.1 89 89 B R E -e 38 0C 6 -52,-1.2 -50,-2.3 -2,-0.3 2,-0.5 -0.974 26.0-131.1-138.2 151.5 -0.8 4.0 74.5 90 90 B V E >>> -e 39 0C 1 -2,-0.3 4,-2.1 -52,-0.2 3,-1.7 -0.911 22.3-118.0-115.6 132.0 1.2 1.6 76.7 91 91 B I B 345S+b 95 0E 2 -52,-3.1 39,-0.2 -2,-0.5 -50,-0.2 -0.352 100.4 20.4 -65.0 134.1 1.5 -2.1 75.9 92 92 B G T 345S+ 0 0 0 3,-2.3 6,-1.9 37,-0.2 -1,-0.3 0.016 130.9 45.0 96.3 -25.4 0.1 -4.2 78.7 93 93 B Y T <45S+ 0 0 32 -3,-1.7 4,-0.2 4,-0.2 -2,-0.2 0.830 123.6 19.6-113.1 -63.3 -2.1 -1.4 80.0 94 94 B D T <5S+ 0 0 46 -4,-2.1 2,-0.4 1,-0.2 -3,-0.2 0.766 134.7 25.1 -82.9 -38.4 -3.9 0.5 77.2 95 95 B I B > - 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