==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=17-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 20-APR-13 4K9R . COMPND 2 MOLECULE: SPORE PHOTOPRODUCT LYASE; . SOURCE 2 ORGANISM_SCIENTIFIC: GEOBACILLUS THERMODENITRIFICANS; . AUTHOR L.YANG,R.S.NELSON,A.BENJDIA,G.LIN,J.TELSER,S.STOLL,I.SCHLICH . 341 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16130.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 231 67.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 51 15.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 14 4.1 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 . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 26 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 95 27.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 1 0 1 2 0 0 1 0 2 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 0 5 2 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 PARALLEL BRIDGES PER LADDER . 3 1 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 1 0 1 0 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 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 K 0 0 193 0, 0.0 2,-0.2 0, 0.0 175,-0.1 0.000 360.0 360.0 360.0 -17.4 9.2 31.8 -67.8 2 3 A P - 0 0 56 0, 0.0 144,-0.1 0, 0.0 143,-0.0 -0.557 360.0 -90.5 -64.3 140.5 6.1 29.6 -67.5 3 4 A F + 0 0 27 142,-0.5 57,-0.0 -2,-0.2 146,-0.0 -0.280 50.4 173.5 -58.7 130.1 7.0 26.6 -65.2 4 5 A V - 0 0 59 -3,-0.1 142,-0.0 145,-0.0 -1,-0.0 -0.980 30.2-123.6-133.6 124.0 8.4 23.6 -67.0 5 6 A P - 0 0 2 0, 0.0 56,-0.2 0, 0.0 3,-0.1 -0.323 8.0-154.7 -68.6 151.3 9.7 20.7 -64.8 6 7 A K S S+ 0 0 159 54,-2.5 27,-0.6 1,-0.3 2,-0.3 0.502 85.9 28.5 -96.5 -11.1 13.3 19.4 -65.1 7 8 A L E S-ab 33 61A 10 53,-1.2 55,-2.6 25,-0.1 2,-0.4 -0.985 70.7-164.7-150.0 139.5 12.3 16.0 -63.8 8 9 A V E -ab 34 62A 0 25,-2.0 27,-2.7 -2,-0.3 2,-0.4 -0.986 4.1-164.6-135.2 127.5 9.0 14.1 -63.9 9 10 A Y E -ab 35 63A 3 53,-2.8 55,-2.7 -2,-0.4 2,-0.4 -0.841 9.7-165.4-102.6 144.0 7.6 11.1 -62.1 10 11 A F E -ab 36 64A 8 25,-2.1 27,-2.4 -2,-0.4 55,-0.2 -0.976 19.2-134.1-123.3 143.1 4.5 9.1 -63.2 11 12 A E >> - 0 0 0 53,-2.0 3,-0.6 -2,-0.4 4,-0.5 -0.732 28.3-125.5 -79.1 143.6 2.4 6.6 -61.4 12 13 A P G >4 S+ 0 0 55 0, 0.0 3,-1.4 0, 0.0 4,-0.3 0.921 111.3 54.2 -59.7 -40.9 1.9 3.6 -63.7 13 14 A E G >4 S+ 0 0 95 1,-0.3 3,-1.7 25,-0.2 4,-0.2 0.738 92.3 74.7 -62.1 -26.1 -1.9 3.9 -63.3 14 15 A A G X4 S+ 0 0 0 -3,-0.6 3,-1.4 1,-0.3 6,-0.4 0.795 85.3 63.8 -56.5 -31.2 -1.7 7.6 -64.3 15 16 A L G << S+ 0 0 72 -3,-1.4 -1,-0.3 -4,-0.5 -2,-0.2 0.694 87.0 72.2 -69.2 -17.6 -1.2 6.5 -67.9 16 17 A S G < S+ 0 0 98 -3,-1.7 -1,-0.3 -4,-0.3 -2,-0.2 0.546 91.4 71.0 -71.3 -7.7 -4.7 4.9 -67.9 17 18 A Y S <> S- 0 0 70 -3,-1.4 4,-2.4 -4,-0.2 5,-0.2 -0.830 89.3-117.0-115.4 150.6 -6.2 8.4 -68.0 18 19 A P H > S+ 0 0 106 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.906 113.4 46.3 -48.3 -53.4 -6.2 11.0 -70.8 19 20 A L H > S+ 0 0 3 93,-0.5 4,-2.5 1,-0.2 5,-0.2 0.902 112.0 50.9 -60.5 -45.2 -4.2 13.7 -69.0 20 21 A G H > S+ 0 0 0 -6,-0.4 4,-2.0 2,-0.2 -1,-0.2 0.897 113.5 45.2 -58.7 -43.1 -1.5 11.1 -67.9 21 22 A K H X S+ 0 0 115 -4,-2.4 4,-2.2 -7,-0.3 -2,-0.2 0.922 113.4 50.1 -65.3 -46.9 -1.1 9.8 -71.4 22 23 A E H X S+ 0 0 94 -4,-2.8 4,-1.9 -5,-0.2 -2,-0.2 0.841 112.3 47.0 -60.7 -37.8 -1.0 13.3 -72.9 23 24 A L H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 5,-0.3 0.878 109.0 53.9 -74.8 -37.8 1.6 14.4 -70.4 24 25 A Y H X S+ 0 0 100 -4,-2.0 4,-2.0 -5,-0.2 5,-0.2 0.924 111.6 46.2 -59.5 -45.7 3.8 11.3 -70.9 25 26 A E H X S+ 0 0 87 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.903 113.2 50.2 -59.9 -45.7 3.7 12.1 -74.7 26 27 A K H X S+ 0 0 66 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.951 114.9 40.7 -59.7 -53.2 4.5 15.8 -74.1 27 28 A F H X>S+ 0 0 0 -4,-2.8 5,-2.1 2,-0.2 4,-0.5 0.824 113.5 51.7 -74.5 -32.0 7.5 15.3 -71.8 28 29 A T H <5S+ 0 0 64 -4,-2.0 3,-0.4 -5,-0.3 -1,-0.2 0.860 110.9 50.6 -68.5 -34.7 9.0 12.3 -73.7 29 30 A Q H <5S+ 0 0 169 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.857 109.0 51.3 -67.5 -36.4 8.8 14.5 -76.8 30 31 A M H <5S- 0 0 101 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.581 111.3-125.2 -76.2 -9.8 10.5 17.3 -74.8 31 32 A G T <5 + 0 0 66 -4,-0.5 2,-0.2 -3,-0.4 -3,-0.2 0.771 53.7 157.8 70.7 26.8 13.3 14.9 -73.8 32 33 A I < - 0 0 31 -5,-2.1 -1,-0.2 1,-0.1 2,-0.2 -0.585 52.4 -96.5 -82.1 144.3 12.8 15.6 -70.1 33 34 A K E -a 7 0A 128 -27,-0.6 -25,-2.0 -2,-0.2 2,-0.4 -0.448 47.3-168.5 -62.2 126.9 14.0 12.9 -67.6 34 35 A I E +a 8 0A 46 -2,-0.2 2,-0.3 -27,-0.2 -25,-0.2 -0.956 8.0 179.9-124.8 141.0 11.1 10.8 -66.6 35 36 A R E -a 9 0A 91 -27,-2.7 -25,-2.1 -2,-0.4 2,-0.3 -0.865 24.0-117.4-133.9 167.8 10.8 8.2 -63.8 36 37 A E E -a 10 0A 148 -2,-0.3 2,-0.3 -27,-0.2 -25,-0.2 -0.825 25.2-178.4-106.5 144.3 8.3 5.8 -62.3 37 38 A T - 0 0 10 -27,-2.4 3,-0.1 -2,-0.3 6,-0.1 -0.993 26.7-142.6-139.7 140.7 6.9 6.0 -58.8 38 39 A T S S+ 0 0 122 -2,-0.3 2,-0.4 4,-0.3 -25,-0.2 0.942 91.6 16.7 -65.8 -48.9 4.4 3.6 -57.1 39 40 A S B > -E 42 0B 39 3,-0.6 3,-1.7 -28,-0.1 -1,-0.2 -0.984 66.6-137.1-127.9 141.2 2.6 6.4 -55.2 40 41 A H T 3 S+ 0 0 20 -2,-0.4 3,-0.2 1,-0.3 -1,-0.1 0.570 109.3 57.4 -67.8 -12.5 2.7 10.2 -55.8 41 42 A N T 3 S+ 0 0 69 1,-0.2 -1,-0.3 64,-0.0 2,-0.2 0.391 106.6 52.9 -93.7 -0.2 3.0 10.6 -52.0 42 43 A Q B < +E 39 0B 107 -3,-1.7 2,-0.6 2,-0.0 -3,-0.6 -0.702 68.4 164.5-138.4 79.1 6.2 8.5 -52.0 43 44 A V - 0 0 21 -2,-0.2 3,-0.3 -3,-0.2 2,-0.2 -0.894 15.9-166.5-105.8 118.8 8.7 9.8 -54.5 44 45 A R + 0 0 184 -2,-0.6 -2,-0.0 1,-0.2 0, 0.0 -0.672 55.9 28.7-103.3 154.8 12.3 8.5 -54.2 45 46 A G + 0 0 55 -2,-0.2 -1,-0.2 1,-0.2 3,-0.1 0.601 59.8 164.3 80.7 15.1 15.6 9.6 -55.7 46 47 A I - 0 0 28 -3,-0.3 -1,-0.2 1,-0.1 12,-0.1 -0.495 48.9-102.5 -60.7 131.8 15.1 13.3 -56.2 47 48 A P S S+ 0 0 62 0, 0.0 10,-0.3 0, 0.0 11,-0.1 -0.150 72.0 93.2 -64.8 155.2 18.6 14.6 -56.7 48 49 A G - 0 0 25 9,-0.1 -3,-0.1 -3,-0.1 3,-0.0 -0.232 49.1-148.2 133.2 138.4 20.6 16.4 -54.0 49 50 A E S S+ 0 0 181 -2,-0.1 2,-0.3 0, 0.0 -1,-0.0 0.654 87.9 53.8-101.3 -25.9 23.2 15.6 -51.3 50 51 A T S > S- 0 0 85 1,-0.1 4,-2.4 0, 0.0 5,-0.2 -0.743 88.3-118.8-104.5 159.7 22.0 18.3 -48.9 51 52 A E H > S+ 0 0 107 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.886 116.6 54.8 -63.7 -39.5 18.5 18.9 -47.7 52 53 A L H > S+ 0 0 47 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.875 109.5 47.2 -59.6 -39.6 18.5 22.4 -49.3 53 54 A A H > S+ 0 0 28 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.936 111.4 49.0 -69.5 -48.6 19.5 20.8 -52.6 54 55 A R H X S+ 0 0 90 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.864 112.5 50.5 -57.2 -39.7 16.8 18.1 -52.5 55 56 A Y H X S+ 0 0 12 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.945 112.0 45.0 -62.9 -52.7 14.2 20.7 -51.6 56 57 A R H < S+ 0 0 134 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.847 114.6 49.0 -62.7 -35.8 15.2 23.0 -54.5 57 58 A N H >< S+ 0 0 62 -4,-2.6 3,-1.4 -10,-0.3 -1,-0.2 0.844 106.1 56.9 -72.7 -33.3 15.2 20.1 -56.9 58 59 A A H >< S+ 0 0 1 -4,-1.9 3,-2.1 1,-0.3 50,-0.6 0.909 99.9 59.6 -60.4 -41.5 11.8 18.9 -55.6 59 60 A K T 3< S+ 0 0 17 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.525 107.0 47.2 -64.1 -9.1 10.5 22.4 -56.6 60 61 A S T < S+ 0 0 37 -3,-1.4 -54,-2.5 -4,-0.1 -53,-1.2 0.230 97.3 94.9-111.6 10.3 11.6 21.6 -60.2 61 62 A T E < -b 7 0A 1 -3,-2.1 47,-2.2 -56,-0.2 2,-0.4 -0.862 57.4-158.5-107.2 132.8 10.0 18.1 -60.1 62 63 A L E -bc 8 108A 0 -55,-2.6 -53,-2.8 -2,-0.4 2,-0.5 -0.921 4.6-163.4-106.8 136.3 6.5 17.3 -61.4 63 64 A V E -bc 9 109A 0 45,-2.9 47,-2.4 -2,-0.4 2,-0.6 -0.985 3.4-158.5-121.2 126.7 4.7 14.2 -60.2 64 65 A V E +bc 10 110A 0 -55,-2.7 -53,-2.0 -2,-0.5 -50,-0.2 -0.928 31.7 139.7-110.2 119.5 1.7 12.8 -62.2 65 66 A G E - c 0 111A 0 45,-2.4 47,-2.2 -2,-0.6 2,-0.4 -0.774 49.0 -90.0-146.7-174.9 -0.7 10.6 -60.2 66 67 A V - 0 0 10 45,-0.2 2,-0.6 -2,-0.2 -26,-0.2 -0.914 33.1-126.6-110.1 130.9 -4.3 9.5 -59.4 67 68 A R + 0 0 37 -2,-0.4 3,-0.0 1,-0.2 49,-0.0 -0.693 33.6 170.1 -75.9 117.0 -6.3 11.1 -56.6 68 69 A R + 0 0 124 -2,-0.6 2,-1.1 1,-0.1 -1,-0.2 0.654 59.0 76.8-103.4 -23.9 -7.4 8.2 -54.4 69 70 A T + 0 0 90 1,-0.1 -1,-0.1 2,-0.0 -2,-0.0 -0.789 57.8 178.2 -86.3 99.9 -8.8 10.1 -51.4 70 71 A L + 0 0 56 -2,-1.1 2,-0.5 2,-0.1 -1,-0.1 0.351 48.7 101.9 -95.0 9.4 -12.1 11.3 -52.9 71 72 A K S S- 0 0 136 -3,-0.0 2,-0.4 0, 0.0 -2,-0.0 -0.819 70.3-139.7 -79.3 127.5 -13.2 13.0 -49.7 72 73 A F - 0 0 4 -2,-0.5 11,-0.1 48,-0.1 2,-0.1 -0.726 13.1-127.8 -87.5 138.5 -12.7 16.8 -50.2 73 74 A D - 0 0 92 9,-0.4 9,-2.5 -2,-0.4 2,-0.1 -0.397 29.5 -97.7 -76.1 159.9 -11.3 18.8 -47.3 74 75 A S - 0 0 80 7,-0.2 7,-0.3 -2,-0.1 6,-0.2 -0.484 29.2-167.3 -70.6 149.8 -12.9 22.0 -46.0 75 76 A S B >> -F 79 0C 13 4,-1.0 4,-2.1 5,-0.3 3,-0.8 -0.078 27.0-172.5-133.2 35.0 -11.4 25.2 -47.3 76 77 A K T 34 + 0 0 117 1,-0.3 4,-0.1 4,-0.3 -2,-0.0 -0.427 60.9 26.0 -67.1 147.4 -13.0 27.8 -45.0 77 78 A P T 34 S+ 0 0 66 0, 0.0 -1,-0.3 0, 0.0 3,-0.1 -0.999 130.1 43.5 -85.0 -3.4 -13.1 30.8 -44.9 78 79 A S T <4 S- 0 0 9 -3,-0.8 2,-0.3 1,-0.2 -2,-0.3 0.935 126.0 -20.3 -63.9 -50.7 -12.5 30.9 -48.7 79 80 A A B < -F 75 0C 0 -4,-2.1 -4,-1.0 1,-0.1 -1,-0.2 -0.967 60.8-102.4-157.2 164.6 -14.9 28.1 -49.7 80 81 A E S S+ 0 0 25 54,-0.5 2,-0.3 -2,-0.3 -4,-0.3 0.843 101.6 15.3 -61.7 -35.3 -16.9 25.0 -48.5 81 82 A Y E -g 135 0D 44 53,-1.6 55,-3.3 -7,-0.3 2,-0.7 -0.973 65.7-125.9-143.8 153.0 -14.4 22.6 -50.1 82 83 A A E -g 136 0D 15 -9,-2.5 -9,-0.4 -2,-0.3 55,-0.2 -0.910 27.7-146.7 -94.0 114.5 -10.9 22.3 -51.6 83 84 A I - 0 0 5 53,-2.0 2,-1.2 -2,-0.7 3,-0.3 -0.751 18.3-132.4 -82.4 121.8 -11.2 20.7 -55.0 84 85 A P + 0 0 12 0, 0.0 3,-0.1 0, 0.0 -17,-0.1 -0.639 57.6 130.7 -87.9 94.6 -8.1 18.5 -55.5 85 86 A L S S- 0 0 2 -2,-1.2 26,-1.9 1,-0.4 2,-0.3 0.642 77.3 -7.8-108.2 -29.0 -6.5 19.2 -58.9 86 87 A A E -D 110 0A 5 -3,-0.3 -1,-0.4 24,-0.2 54,-0.3 -0.974 53.0-153.7-157.0 167.1 -2.9 19.8 -57.7 87 88 A T E +D 109 0A 12 22,-1.8 22,-3.2 -2,-0.3 54,-0.3 -0.974 58.0 28.8-141.6 151.0 -0.7 20.1 -54.7 88 89 A G B -m 141 0E 7 52,-3.0 54,-1.0 -2,-0.3 2,-0.3 -0.094 64.7-123.1 87.5 172.2 2.7 21.9 -54.3 89 90 A C - 0 0 12 17,-0.5 54,-0.0 52,-0.2 52,-0.0 -0.995 14.6-135.8-155.4 151.7 4.2 24.9 -56.1 90 91 A M S S+ 0 0 17 -2,-0.3 -1,-0.1 52,-0.1 -31,-0.1 0.585 77.6 102.3 -83.9 -12.1 7.2 26.0 -58.1 91 92 A G - 0 0 3 1,-0.1 116,-0.2 2,-0.0 -2,-0.1 -0.208 62.8-147.8 -73.2 163.5 7.5 29.3 -56.1 92 93 A H + 0 0 41 114,-2.0 2,-0.3 3,-0.0 115,-0.1 -0.182 27.5 166.8-125.5 39.5 9.9 30.1 -53.3 93 94 A C > - 0 0 12 112,-0.2 3,-1.8 1,-0.2 112,-0.2 -0.409 33.3-142.2 -58.3 118.0 7.9 32.3 -51.0 94 95 A H T 3 S+ 0 0 26 110,-2.3 -1,-0.2 1,-0.3 111,-0.1 0.823 98.4 41.5 -53.7 -37.7 10.0 32.4 -47.8 95 96 A Y T 3 S+ 0 0 6 109,-0.3 -1,-0.3 139,-0.0 177,-0.1 0.409 78.6 151.9 -90.5 -4.2 6.9 32.4 -45.6 96 97 A C X - 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