==== 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 07-NOV-09 3KLC . COMPND 2 MOLECULE: BETA UREIDOPROPIONASE (BETA-ALANINE SYNTHASE); . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS ABYSSI; . AUTHOR J.RACZYNSKA,C.VORGIAS,G.ANTRANIKIAN,W.RYPNIEWSKI . 522 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18192.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 385 73.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 51 9.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 88 16.9 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 . 4 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 10 1.9 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 0.2 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 . 50 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 56 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 111 21.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.5 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 4 3 0 1 0 2 0 0 2 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 1 5 1 0 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 PARALLEL BRIDGES PER LADDER . 1 3 6 0 0 4 0 0 2 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 . 3 0 0 0 2 0 2 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 2 A V 0 0 44 0, 0.0 233,-3.3 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 143.8 -0.0 34.3 16.6 2 3 A K E -A 233 0A 63 31,-0.3 33,-3.2 231,-0.2 34,-1.5 -0.942 360.0-176.8-118.7 134.0 1.1 31.0 18.0 3 4 A V E -Ab 232 36A 0 229,-2.5 229,-1.8 -2,-0.4 2,-0.3 -0.869 6.2-172.5-126.3 151.0 3.5 28.5 16.7 4 5 A A E -Ab 231 37A 0 32,-2.4 34,-1.6 -2,-0.3 2,-0.4 -0.977 17.2-144.0-141.8 155.9 4.6 25.1 17.9 5 6 A Y E -Ab 230 38A 1 225,-2.1 225,-1.6 -2,-0.3 2,-0.6 -0.909 12.5-146.7-112.1 151.0 7.0 22.3 17.5 6 7 A V E -A 229 0A 0 32,-3.3 2,-0.6 -2,-0.4 223,-0.2 -0.967 12.4-166.6-108.4 113.4 6.2 18.6 18.0 7 8 A Q E +A 228 0A 0 221,-3.9 221,-2.4 -2,-0.6 2,-0.3 -0.902 25.6 153.5 -96.9 119.5 9.2 16.7 19.3 8 9 A M - 0 0 0 -2,-0.6 189,-1.2 187,-0.4 199,-0.1 -0.929 48.1-111.6-144.8 168.5 8.6 13.0 19.0 9 10 A N - 0 0 42 -2,-0.3 2,-0.2 187,-0.2 189,-0.1 -0.772 30.8-149.8-106.3 85.2 10.4 9.6 18.6 10 11 A P - 0 0 0 0, 0.0 2,-0.6 0, 0.0 37,-0.2 -0.384 10.7-137.8 -59.3 121.7 9.7 8.3 15.1 11 12 A Q > - 0 0 79 3,-0.3 3,-1.6 -2,-0.2 7,-0.2 -0.741 32.5-112.2 -76.2 116.9 9.7 4.4 15.3 12 13 A I T 3 S+ 0 0 30 -2,-0.6 34,-0.3 1,-0.3 33,-0.1 -0.258 92.6 1.6 -62.5 136.5 11.6 3.4 12.1 13 14 A L T 3 S+ 0 0 54 32,-2.4 -1,-0.3 1,-0.1 32,-0.1 0.647 107.0 104.1 64.8 19.6 9.5 1.7 9.4 14 15 A E X> + 0 0 79 -3,-1.6 4,-1.6 30,-0.3 3,-0.5 -0.535 34.9 160.4-127.5 66.1 6.4 2.0 11.5 15 16 A P H 3> S+ 0 0 19 0, 0.0 4,-3.2 0, 0.0 5,-0.2 0.869 72.5 56.5 -66.4 -35.9 4.3 4.8 10.1 16 17 A D H 3> S+ 0 0 121 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.878 110.4 48.8 -58.3 -36.6 0.9 3.9 11.7 17 18 A K H <> S+ 0 0 118 -3,-0.5 4,-2.0 2,-0.2 -1,-0.2 0.861 112.3 47.6 -65.0 -38.8 2.7 4.1 15.1 18 19 A N H X S+ 0 0 2 -4,-1.6 4,-3.0 26,-0.3 -2,-0.2 0.889 109.1 53.6 -77.1 -37.1 4.1 7.4 14.1 19 20 A Y H X S+ 0 0 18 -4,-3.2 4,-3.1 2,-0.2 -2,-0.2 0.925 109.4 48.4 -51.6 -55.3 0.8 8.8 12.9 20 21 A S H X S+ 0 0 80 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.922 115.1 45.4 -54.6 -47.4 -0.9 7.9 16.1 21 22 A K H X S+ 0 0 65 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.907 114.6 47.0 -63.8 -44.7 2.0 9.6 18.0 22 23 A A H X S+ 0 0 0 -4,-3.0 4,-2.9 2,-0.2 5,-0.3 0.877 110.0 53.8 -69.7 -37.1 2.0 12.7 15.8 23 24 A E H X S+ 0 0 53 -4,-3.1 4,-2.9 1,-0.2 5,-0.2 0.954 108.2 49.9 -56.9 -52.4 -1.8 13.0 16.0 24 25 A K H X S+ 0 0 107 -4,-2.1 4,-1.6 1,-0.2 -2,-0.2 0.889 116.1 42.1 -49.4 -46.8 -1.7 13.0 19.8 25 26 A L H X S+ 0 0 1 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.873 111.9 51.1 -80.0 -41.3 1.0 15.7 19.9 26 27 A I H X S+ 0 0 0 -4,-2.9 4,-3.2 2,-0.2 5,-0.2 0.957 111.0 51.7 -53.3 -50.5 -0.4 18.0 17.1 27 28 A K H X S+ 0 0 101 -4,-2.9 4,-2.2 -5,-0.3 -2,-0.2 0.914 109.1 51.6 -55.9 -37.5 -3.7 17.8 19.1 28 29 A E H X S+ 0 0 71 -4,-1.6 4,-1.1 -5,-0.2 -1,-0.2 0.919 110.4 45.8 -64.5 -41.1 -1.7 18.8 22.1 29 30 A A H <>S+ 0 0 0 -4,-2.2 5,-2.0 1,-0.2 3,-0.4 0.918 113.0 52.5 -69.3 -39.1 -0.1 21.8 20.3 30 31 A S H ><5S+ 0 0 28 -4,-3.2 3,-1.6 1,-0.2 -1,-0.2 0.872 103.8 54.9 -57.9 -41.9 -3.6 22.7 19.0 31 32 A K H 3<5S+ 0 0 198 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.816 104.5 57.1 -66.9 -25.7 -5.2 22.7 22.4 32 33 A Q T 3<5S- 0 0 94 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.405 126.9 -98.6 -88.8 -2.0 -2.5 25.2 23.5 33 34 A G T < 5 + 0 0 30 -3,-1.6 -31,-0.3 1,-0.3 -3,-0.2 0.441 67.6 155.3 104.6 1.7 -3.5 27.6 20.8 34 35 A A < - 0 0 4 -5,-2.0 -1,-0.3 1,-0.2 -31,-0.2 -0.374 22.8-177.1 -56.7 129.5 -0.9 26.9 18.1 35 36 A Q S S+ 0 0 62 -33,-3.2 46,-3.0 1,-0.3 2,-0.4 0.621 79.2 44.2 -97.5 -19.5 -2.0 27.8 14.6 36 37 A L E -bc 3 81A 0 -34,-1.5 -32,-2.4 44,-0.2 2,-0.4 -0.997 69.4-176.3-124.4 130.0 1.2 26.4 13.2 37 38 A V E -bc 4 82A 0 44,-2.6 46,-2.8 -2,-0.4 2,-0.4 -0.978 7.1-161.1-128.8 132.5 2.6 23.1 14.3 38 39 A V E -bc 5 83A 0 -34,-1.6 -32,-3.3 -2,-0.4 46,-0.2 -0.946 5.7-163.3-122.0 132.4 6.0 21.7 13.0 39 40 A L - 0 0 0 44,-3.0 46,-0.3 -2,-0.4 155,-0.3 -0.703 30.5 -81.5-110.5 171.5 7.0 18.0 13.3 40 41 A P > - 0 0 0 0, 0.0 45,-1.8 0, 0.0 3,-0.9 -0.017 52.4 -82.9 -69.9 172.6 10.4 16.4 13.0 41 42 A E T 3 S- 0 0 0 128,-1.1 128,-0.1 153,-0.4 5,-0.1 -0.464 113.4 -0.3 -67.6 143.2 12.2 15.4 9.8 42 43 A L T 3> S+ 0 0 0 55,-0.5 4,-1.7 1,-0.1 44,-0.3 0.883 80.5 165.3 41.1 51.9 11.1 12.0 8.5 43 44 A F T <4 + 0 0 0 42,-2.1 -32,-0.2 -3,-0.9 43,-0.2 0.797 68.4 48.2 -68.6 -23.2 8.6 11.7 11.3 44 45 A D T 4 S+ 0 0 1 41,-0.6 -30,-0.3 1,-0.1 -26,-0.3 0.924 123.4 24.7 -87.0 -41.2 6.7 8.9 9.6 45 46 A T T 4 S- 0 0 1 1,-0.3 -32,-2.4 -32,-0.1 -2,-0.2 0.607 98.6-129.0 -96.9 -18.4 9.5 6.5 8.5 46 47 A G < - 0 0 0 -4,-1.7 -1,-0.3 -34,-0.3 -2,-0.1 -0.328 18.7-104.7 79.0-171.2 12.3 7.3 10.9 47 48 A Y S S+ 0 0 16 -37,-0.2 2,-1.9 1,-0.1 -1,-0.1 0.811 84.8 78.3-126.3 -49.4 15.8 8.1 9.9 48 49 A N + 0 0 27 155,-0.1 -1,-0.1 2,-0.0 155,-0.1 -0.367 57.3 168.4 -85.4 68.5 18.6 5.5 10.2 49 50 A F - 0 0 2 -2,-1.9 3,-0.1 1,-0.1 73,-0.0 -0.383 29.3-163.7 -82.6 156.0 18.1 3.2 7.3 50 51 A E S S+ 0 0 130 1,-0.2 2,-0.3 -2,-0.1 -1,-0.1 0.765 79.8 27.1 -95.6 -44.3 20.6 0.6 6.1 51 52 A T > - 0 0 48 1,-0.1 4,-0.6 71,-0.0 -1,-0.2 -0.837 68.7-132.6-118.3 156.5 19.0 0.1 2.7 52 53 A R H >> S+ 0 0 64 -2,-0.3 4,-3.2 1,-0.2 3,-0.5 0.824 102.4 68.1 -68.0 -30.7 17.0 2.2 0.4 53 54 A E H 3> S+ 0 0 123 1,-0.3 4,-2.9 2,-0.2 5,-0.2 0.891 95.4 51.4 -59.7 -46.2 14.6 -0.7 -0.0 54 55 A E H 34 S+ 0 0 31 2,-0.2 4,-0.4 1,-0.2 -1,-0.3 0.812 118.2 37.1 -64.8 -31.6 13.2 -0.7 3.5 55 56 A V H XX S+ 0 0 0 -4,-0.6 4,-1.5 -3,-0.5 3,-1.0 0.913 117.1 50.6 -84.7 -42.3 12.4 3.0 3.4 56 57 A F H >< S+ 0 0 53 -4,-3.2 3,-0.5 1,-0.3 -2,-0.2 0.906 102.2 62.6 -59.3 -44.8 11.3 3.1 -0.2 57 58 A E T 3< S+ 0 0 144 -4,-2.9 -1,-0.3 -5,-0.3 -2,-0.2 0.793 118.5 26.2 -48.5 -35.9 8.9 0.2 0.4 58 59 A I T <4 S+ 0 0 36 -3,-1.0 -1,-0.3 -4,-0.4 -2,-0.2 0.524 90.2 119.1-111.6 -9.2 7.0 2.2 2.8 59 60 A A << - 0 0 3 -4,-1.5 2,-0.3 -3,-0.5 29,-0.2 -0.244 56.0-132.0 -68.0 149.6 7.5 5.8 1.8 60 61 A Q B -d 88 0A 42 27,-1.3 29,-2.5 5,-0.1 2,-0.1 -0.766 8.1-118.2-109.0 149.1 4.4 7.8 0.8 61 62 A K > - 0 0 72 -2,-0.3 4,-1.3 27,-0.2 7,-0.5 -0.429 43.2 -97.1 -74.0 152.3 3.6 10.0 -2.2 62 63 A I T 4 S- 0 0 11 27,-0.5 4,-0.1 1,-0.2 47,-0.1 -0.993 93.5 -3.3-116.7 133.4 2.7 13.6 -1.5 63 64 A P T 4 S+ 0 0 48 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 -0.986 135.5 44.6 -98.7 2.8 -0.0 14.8 -1.3 64 65 A E T 4 S+ 0 0 123 4,-0.1 -2,-0.2 5,-0.1 -3,-0.0 0.669 92.0 92.3 -90.0 -13.4 -2.1 11.7 -2.0 65 66 A G S X S- 0 0 9 -4,-1.3 4,-2.0 24,-0.1 3,-0.2 -0.205 91.2 -91.1 -79.4 173.5 -0.2 9.1 0.1 66 67 A E H > S+ 0 0 107 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.688 117.8 53.9 -58.6 -32.7 -0.9 8.1 3.8 67 68 A T H > S+ 0 0 1 -6,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.966 113.2 40.5 -70.2 -51.3 1.3 10.6 5.6 68 69 A T H > S+ 0 0 0 -7,-0.5 4,-2.7 -3,-0.2 5,-0.2 0.901 116.5 50.1 -63.2 -37.5 -0.1 13.8 3.9 69 70 A T H X S+ 0 0 54 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.910 110.9 49.7 -76.3 -33.0 -3.7 12.5 4.1 70 71 A F H X S+ 0 0 23 -4,-1.6 4,-2.5 -5,-0.2 -1,-0.2 0.925 112.3 47.5 -61.5 -48.7 -3.3 11.7 7.7 71 72 A L H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.832 111.4 50.9 -65.3 -36.8 -1.8 15.2 8.3 72 73 A M H X S+ 0 0 53 -4,-2.7 4,-3.2 2,-0.2 -1,-0.2 0.872 108.6 52.3 -63.5 -41.4 -4.7 16.8 6.4 73 74 A D H X S+ 0 0 74 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.955 113.4 43.9 -58.4 -51.4 -7.1 14.8 8.5 74 75 A V H X S+ 0 0 2 -4,-2.5 4,-2.5 2,-0.2 6,-0.2 0.874 115.0 47.4 -60.9 -42.9 -5.5 16.1 11.6 75 76 A A H X>S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 5,-0.6 0.906 113.7 49.6 -66.0 -44.0 -5.2 19.7 10.3 76 77 A R H <5S+ 0 0 130 -4,-3.2 -2,-0.2 26,-0.2 -1,-0.2 0.922 115.5 43.1 -56.2 -45.5 -8.9 19.5 9.2 77 78 A D H <5S+ 0 0 101 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.810 124.3 33.1 -77.1 -34.1 -9.9 18.2 12.6 78 79 A T H <5S- 0 0 31 -4,-2.5 -1,-0.2 -5,-0.1 -2,-0.2 0.575 97.4-127.6 -98.0 -17.4 -7.8 20.6 14.7 79 80 A G T <5 + 0 0 42 -4,-2.3 2,-0.3 1,-0.3 -3,-0.2 0.822 66.0 125.8 72.6 25.6 -7.8 23.7 12.6 80 81 A V < - 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G 0 105A 0 3,-3.5 3,-2.1 -2,-0.3 -26,-0.2 -0.777 50.0 -79.8-140.1 179.9 -3.8 23.4 6.7 103 104 A P T 3 S+ 0 0 41 0, 0.0 3,-0.1 0, 0.0 -22,-0.1 0.719 128.8 54.7 -59.4 -21.3 -7.5 22.9 7.6 104 105 A R T 3 S- 0 0 230 1,-0.3 2,-0.4 -29,-0.0 -32,-0.1 0.553 120.0-105.8 -90.6 -5.1 -8.4 23.2 3.9 105 106 A G E < S+G 102 0A 7 -3,-2.1 -3,-3.5 -33,-0.1 -1,-0.3 -0.935 75.0 16.3 125.6-142.2 -5.9 20.4 3.0 106 107 A F E +G 101 0A 77 -2,-0.4 -5,-0.2 -5,-0.2 3,-0.1 -0.409 46.8 171.1 -78.8 133.1 -2.5 20.3 1.3 107 108 A I E - 0 0 58 -7,-2.7 2,-0.3 1,-0.4 -6,-0.2 0.809 54.1 -65.1-106.8 -45.9 -0.6 23.6 1.1 108 109 A G E -G 100 0A 4 -8,-1.8 -8,-4.1 25,-0.1 -1,-0.4 -0.986 37.7-119.1 173.4 177.3 2.8 22.6 -0.2 109 110 A K E -G 99 0A 37 -2,-0.3 2,-0.4 -10,-0.3 -10,-0.2 -0.977 8.1-153.5-141.4 161.3 6.1 20.7 0.4 110 111 A Y E -G 98 0A 0 -12,-2.7 -12,-2.6 -2,-0.3 2,-0.5 -0.982 13.4-144.8-133.7 139.7 9.8 21.5 0.6 111 112 A R E -G 97 0A 14 -2,-0.4 17,-0.3 18,-0.4 -14,-0.2 -0.952 35.3 -99.9-108.3 125.0 12.6 18.9 -0.3 112 113 A K - 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