==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 15-MAR-03 1ORU . COMPND 2 MOLECULE: YUAD PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR Y.KIM,A.JOACHIMIAK,A.EDWARDS,T.SKARINA,A.SAVCHENKO,MIDWEST . 364 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15709.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 242 66.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 2.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 97 26.6 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 . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 49 13.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.1 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 1 1 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 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 0 0 0 PARALLEL BRIDGES PER LADDER . 2 1 9 4 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 ANTIPARALLEL BRIDGES PER LADDER . 5 0 0 0 0 0 1 1 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 1 A X 0 0 104 0, 0.0 181,-2.4 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 7.0 19.4 52.8 39.5 2 2 A W E -A 181 0A 55 179,-0.2 2,-0.6 108,-0.0 179,-0.2 -0.918 360.0-174.5-129.2 103.0 18.5 56.0 37.8 3 3 A K E -A 180 0A 112 177,-2.2 177,-2.8 -2,-0.4 2,-0.3 -0.878 17.5-146.0-100.2 125.9 21.3 58.5 37.1 4 4 A R E +A 179 0A 181 -2,-0.6 2,-0.3 175,-0.2 175,-0.2 -0.712 23.2 166.8 -95.9 141.4 20.1 61.8 35.6 5 5 A X E -A 178 0A 69 173,-2.1 173,-3.5 -2,-0.3 2,-0.4 -0.989 28.8-125.2-148.0 151.2 21.9 64.0 33.1 6 6 A T E +A 177 0A 80 -2,-0.3 2,-0.2 171,-0.2 171,-0.2 -0.832 35.9 155.1-103.2 136.8 21.1 66.9 30.8 7 7 A A E -A 176 0A 9 169,-2.6 169,-2.7 -2,-0.4 2,-0.4 -0.711 31.4-111.0-139.6-167.6 21.7 66.9 27.1 8 8 A K E -AB 175 98A 84 90,-2.0 90,-2.4 167,-0.3 2,-1.0 -0.993 8.1-134.0-142.0 143.0 20.4 68.6 24.0 9 9 A A E + B 0 97A 0 165,-3.0 164,-2.2 -2,-0.4 165,-0.3 -0.820 27.1 178.1 -92.8 99.4 18.4 67.8 20.9 10 10 A E E + 0 0 74 86,-1.7 2,-0.3 -2,-1.0 87,-0.2 0.850 64.6 11.7 -71.0 -36.8 20.4 69.5 18.2 11 11 A G E - B 0 96A 0 85,-1.9 85,-2.6 -3,-0.1 2,-0.4 -0.997 56.3-157.8-147.6 151.0 18.2 68.4 15.3 12 12 A L E +CB 25 95A 0 13,-0.6 13,-2.5 -2,-0.3 2,-0.3 -0.965 20.6 178.8-124.8 141.8 14.9 66.8 14.6 13 13 A Y E -C 24 0A 13 81,-2.4 2,-0.3 -2,-0.4 11,-0.2 -0.991 13.4-155.9-146.2 153.1 14.1 65.0 11.3 14 14 A I E -C 23 0A 19 9,-2.2 9,-2.3 -2,-0.3 2,-0.9 -0.958 17.2-141.5-132.2 148.6 11.3 63.1 9.6 15 15 A A + 0 0 2 -2,-0.3 24,-1.6 7,-0.2 7,-0.1 -0.850 30.5 167.6-105.5 90.2 11.1 60.4 6.8 16 16 A D + 0 0 80 -2,-0.9 2,-0.2 22,-0.2 -1,-0.1 0.441 61.1 38.9 -87.1 -0.3 8.0 61.7 5.1 17 17 A T S S- 0 0 53 2,-0.4 22,-0.1 4,-0.2 -2,-0.0 -0.592 105.9 -80.4-129.4-166.8 8.4 59.5 2.0 18 18 A K S S+ 0 0 181 -2,-0.2 2,-0.2 2,-0.0 -3,-0.0 0.679 100.6 97.2 -74.0 -18.1 9.6 55.9 1.2 19 19 A S - 0 0 57 1,-0.1 -2,-0.4 2,-0.1 20,-0.2 -0.474 68.2-148.0 -71.8 141.3 13.2 57.1 1.5 20 20 A F S S+ 0 0 59 -2,-0.2 2,-0.6 -4,-0.1 -1,-0.1 0.575 71.9 102.5 -87.4 -7.1 14.9 56.5 4.9 21 21 A V S S- 0 0 45 70,-0.1 69,-0.2 71,-0.1 -4,-0.2 -0.667 70.7-144.3 -76.2 117.4 17.0 59.6 4.5 22 22 A T - 0 0 7 67,-1.2 2,-0.4 -2,-0.6 -7,-0.2 -0.303 4.4-135.1 -83.1 165.7 15.2 62.0 6.8 23 23 A K E -C 14 0A 106 -9,-2.3 -9,-2.2 69,-0.1 -1,-0.0 -0.978 28.7-103.3-124.9 137.5 14.7 65.8 6.4 24 24 A Q E -C 13 0A 106 -2,-0.4 2,-0.3 -11,-0.2 -11,-0.3 -0.254 37.1-173.9 -62.9 139.9 15.2 68.4 9.1 25 25 A X E -C 12 0A 76 -13,-2.5 -13,-0.6 1,-0.1 3,-0.1 -0.917 31.5-136.2-130.5 155.6 12.1 69.9 10.8 26 26 A D S S+ 0 0 121 -2,-0.3 146,-2.1 1,-0.2 2,-0.3 0.723 93.0 15.4 -83.0 -22.5 11.8 72.7 13.4 27 27 A K E -I 171 0B 79 144,-0.2 2,-0.3 -15,-0.1 144,-0.2 -0.990 62.3-165.9-150.1 154.0 9.3 70.5 15.3 28 28 A L E -I 170 0B 7 142,-2.2 142,-2.7 -2,-0.3 2,-0.5 -0.988 17.5-135.7-140.8 147.0 8.1 66.9 15.6 29 29 A D E -I 169 0B 79 -2,-0.3 2,-0.5 140,-0.2 140,-0.2 -0.914 16.3-158.1-104.8 127.5 5.1 65.4 17.2 30 30 A F E +I 168 0B 4 138,-2.5 138,-2.4 -2,-0.5 2,-0.3 -0.915 23.9 157.6-104.1 130.9 5.7 62.2 19.3 31 31 A D B > -J 34 0C 71 3,-2.6 3,-3.0 -2,-0.5 133,-0.2 -0.905 56.3 -63.9-142.8 168.0 2.7 60.0 19.8 32 32 A Y T 3 S+ 0 0 41 -2,-0.3 11,-0.1 1,-0.3 133,-0.1 -0.388 128.8 30.5 -56.7 126.2 2.3 56.3 20.6 33 33 A G T 3 S- 0 0 6 131,-0.2 9,-1.5 9,-0.1 2,-0.4 0.155 122.9 -90.1 108.3 -18.9 3.7 54.6 17.5 34 34 A G B < S-J 31 0C 0 -3,-3.0 -3,-2.6 7,-0.2 32,-0.1 -0.937 81.9 -3.8 123.0-141.2 6.3 57.2 16.8 35 35 A I S > S- 0 0 3 30,-0.5 3,-2.8 -2,-0.4 6,-0.2 -0.849 72.8-120.3 -97.7 113.0 6.1 60.4 14.6 36 36 A P T 3 S+ 0 0 57 0, 0.0 -7,-0.2 0, 0.0 3,-0.1 -0.242 100.4 17.9 -52.9 133.1 2.8 60.7 12.7 37 37 A G T 3 S+ 0 0 59 1,-0.3 2,-0.2 2,-0.0 -23,-0.0 0.347 99.1 127.3 87.1 -7.8 3.5 60.8 9.0 38 38 A D S X S- 0 0 11 -3,-2.8 3,-1.6 1,-0.1 -1,-0.3 -0.505 72.0-116.3 -83.4 154.3 7.0 59.3 9.5 39 39 A L T 3 S+ 0 0 72 -24,-1.6 -1,-0.1 1,-0.3 -23,-0.1 0.761 115.0 42.2 -58.4 -30.4 8.2 56.2 7.6 40 40 A H T 3 S+ 0 0 80 25,-0.2 -1,-0.3 -5,-0.1 2,-0.2 0.157 85.3 126.3-106.8 20.7 8.5 54.2 10.9 41 41 A F < + 0 0 83 -3,-1.6 -7,-0.2 -6,-0.2 2,-0.2 -0.532 39.1 74.3 -79.0 141.6 5.3 55.3 12.5 42 42 A G S S- 0 0 16 -9,-1.5 -9,-0.1 -2,-0.2 20,-0.1 -0.572 79.8 -95.6 138.7 159.1 2.8 52.7 13.7 43 43 A L S S+ 0 0 81 -2,-0.2 19,-2.9 -11,-0.1 2,-0.2 0.832 106.3 29.2 -72.1 -34.8 1.8 50.0 16.2 44 44 A T E -K 61 0D 39 17,-0.3 2,-0.3 -3,-0.1 17,-0.2 -0.756 60.5-174.1-125.7 171.0 3.3 47.3 14.0 45 45 A K E -K 60 0D 52 15,-2.6 15,-2.9 -2,-0.2 2,-0.4 -0.940 35.0 -96.6-153.1 167.3 6.0 46.7 11.4 46 46 A K E -K 59 0D 164 -2,-0.3 13,-0.2 13,-0.2 12,-0.1 -0.794 44.3-112.7 -94.3 134.4 7.0 43.9 9.0 47 47 A A + 0 0 4 11,-2.6 10,-2.7 -2,-0.4 2,-0.2 -0.311 47.6 156.3 -65.0 146.6 9.9 41.7 10.3 48 48 A G > - 0 0 17 8,-0.2 3,-1.2 9,-0.1 6,-0.3 -0.583 59.6 -45.1-144.8-151.9 13.2 41.9 8.4 49 49 A A T 3 S+ 0 0 77 1,-0.3 -2,-0.1 -2,-0.2 7,-0.0 0.745 128.8 60.1 -62.0 -25.1 16.9 41.3 8.9 50 50 A R T 3 S+ 0 0 62 1,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.735 109.7 42.0 -76.3 -22.5 16.8 43.0 12.3 51 51 A E S X S+ 0 0 7 -3,-1.2 3,-1.7 1,-0.1 -1,-0.3 -0.593 70.1 164.2-123.0 68.2 14.3 40.5 13.6 52 52 A P T 3 + 0 0 79 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.602 65.0 72.7 -61.2 -16.0 15.7 37.2 12.2 53 53 A X T 3 S+ 0 0 26 -3,-0.1 2,-0.3 2,-0.1 -3,-0.0 0.544 94.5 64.3 -78.4 -6.0 13.6 35.0 14.6 54 54 A F S < S- 0 0 18 -3,-1.7 2,-0.2 -6,-0.3 3,-0.1 -0.838 98.0 -99.2-114.6 154.6 10.5 35.9 12.5 55 55 A S > - 0 0 93 -2,-0.3 3,-2.5 1,-0.1 -8,-0.3 -0.527 55.4 -91.8 -70.4 136.9 9.8 35.0 8.9 56 56 A R T 3 S+ 0 0 188 1,-0.3 -8,-0.2 -2,-0.2 -1,-0.1 -0.223 114.6 22.2 -50.4 132.1 10.5 38.0 6.7 57 57 A G T 3 S+ 0 0 42 -10,-2.7 -1,-0.3 1,-0.3 2,-0.1 0.310 84.9 144.7 91.5 -9.7 7.4 40.1 6.3 58 58 A T < - 0 0 17 -3,-2.5 -11,-2.6 -12,-0.1 2,-0.5 -0.414 55.7-116.3 -63.6 133.9 5.7 38.8 9.5 59 59 A E E +K 46 0D 118 -13,-0.2 2,-0.3 -2,-0.1 -13,-0.2 -0.622 49.2 160.5 -76.7 123.2 3.7 41.5 11.2 60 60 A I E -K 45 0D 0 -15,-2.9 -15,-2.6 -2,-0.5 289,-0.2 -0.858 46.8 -71.0-135.8 169.5 5.1 42.3 14.6 61 61 A F E -K 44 0D 5 287,-2.5 2,-1.2 -2,-0.3 -17,-0.3 -0.343 51.0-115.3 -61.7 142.2 5.0 45.1 17.2 62 62 A N + 0 0 4 -19,-2.9 3,-0.2 1,-0.2 -1,-0.1 -0.672 45.7 162.0 -87.5 94.5 6.9 48.2 16.1 63 63 A R + 0 0 34 -2,-1.2 2,-1.1 1,-0.2 3,-0.3 0.729 64.6 67.0 -81.6 -27.0 9.8 48.5 18.6 64 64 A R + 0 0 44 1,-0.2 -1,-0.2 -3,-0.2 99,-0.1 -0.542 58.2 138.5 -98.2 68.3 11.9 50.8 16.4 65 65 A Q + 0 0 5 -2,-1.1 -30,-0.5 97,-0.9 2,-0.4 0.853 67.8 27.0 -79.8 -38.2 9.7 53.9 16.5 66 66 A I E -D 162 0A 1 96,-2.2 96,-2.6 -3,-0.3 2,-0.5 -0.994 67.5-152.6-132.5 133.6 12.3 56.6 17.0 67 67 A S E -D 161 0A 14 -2,-0.4 27,-2.7 94,-0.2 28,-1.6 -0.902 15.1-171.7-107.9 130.9 15.9 56.6 15.9 68 68 A I E +De 160 95A 1 92,-2.9 92,-1.8 -2,-0.5 2,-0.3 -0.966 9.1 173.8-126.3 139.1 18.5 58.7 17.8 69 69 A V E - e 0 96A 3 26,-2.3 28,-2.7 -2,-0.4 2,-0.4 -0.939 25.5-128.1-134.1 156.7 22.2 59.5 17.1 70 70 A S E > - e 0 97A 0 -2,-0.3 4,-2.3 26,-0.2 28,-0.2 -0.864 13.8-132.7-108.8 144.6 24.6 61.8 18.8 71 71 A I H > S+ 0 0 52 26,-3.2 4,-2.1 -2,-0.4 5,-0.2 0.900 108.4 55.8 -57.5 -41.6 26.6 64.4 17.0 72 72 A E H > S+ 0 0 61 25,-0.4 4,-1.6 1,-0.2 -1,-0.2 0.920 109.4 43.6 -58.9 -47.6 29.7 63.2 18.9 73 73 A E H > S+ 0 0 2 27,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.863 110.7 55.4 -68.9 -34.2 29.4 59.6 17.8 74 74 A C H X S+ 0 0 4 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.894 108.1 49.1 -64.2 -38.3 28.6 60.7 14.2 75 75 A N H X S+ 0 0 86 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.867 108.8 54.5 -66.4 -35.6 31.8 62.7 14.2 76 76 A E H X S+ 0 0 86 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.912 108.0 47.9 -64.1 -43.3 33.5 59.6 15.5 77 77 A I H X S+ 0 0 1 -4,-2.4 4,-2.3 80,-0.2 5,-0.2 0.939 109.2 54.8 -62.2 -46.5 32.2 57.5 12.6 78 78 A A H X>S+ 0 0 2 -4,-2.4 5,-2.2 1,-0.2 4,-1.1 0.922 109.2 47.0 -52.8 -49.7 33.4 60.2 10.2 79 79 A L H ><5S+ 0 0 139 -4,-2.4 3,-0.6 1,-0.2 -1,-0.2 0.928 111.8 49.6 -59.5 -47.4 36.9 60.0 11.6 80 80 A K H 3<5S+ 0 0 88 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.819 114.6 45.3 -63.2 -30.5 37.1 56.2 11.5 81 81 A X H 3<5S- 0 0 13 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.601 110.3-121.9 -88.2 -12.5 35.8 56.2 7.9 82 82 A G T <<5 + 0 0 53 -4,-1.1 -3,-0.2 -3,-0.6 -4,-0.1 0.790 68.2 128.8 77.5 26.9 38.2 59.0 6.8 83 83 A V < - 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0 0 13 -3,-2.3 18,-0.2 -4,-0.3 3,-0.1 -0.353 65.2-121.1 -55.6 120.2 22.5 54.0 27.0 107 107 A K > - 0 0 107 74,-0.3 3,-1.9 -2,-0.2 74,-0.4 -0.247 24.1 -95.4 -69.8 150.2 20.9 50.9 28.5 108 108 A E T 3 S+ 0 0 31 1,-0.3 15,-0.2 15,-0.1 -1,-0.1 -0.349 113.5 41.3 -58.2 140.3 17.4 49.6 27.6 109 109 A G T 3 S+ 0 0 1 13,-1.8 -1,-0.3 1,-0.4 14,-0.1 0.216 85.2 125.3 102.4 -16.8 14.9 51.0 30.1 110 110 A S < - 0 0 0 -3,-1.9 12,-2.9 12,-0.1 -1,-0.4 -0.384 50.9-141.3 -71.8 157.2 16.5 54.5 30.2 111 111 A R E -FG 121 179A 2 68,-2.1 68,-3.4 10,-0.2 2,-0.5 -0.941 12.1-159.5-124.9 146.0 14.3 57.4 29.4 112 112 A I E -FG 120 178A 2 8,-1.9 8,-2.6 -2,-0.3 2,-0.4 -0.985 19.8-167.3-123.4 115.2 14.8 60.6 27.5 113 113 A I E -FG 119 177A 23 64,-2.8 64,-2.7 -2,-0.5 6,-0.2 -0.894 6.6-152.5-114.5 135.2 12.4 63.4 28.4 114 114 A F > - 0 0 7 4,-2.9 3,-1.7 -2,-0.4 62,-0.1 -0.517 34.6-101.6 -97.0 164.0 11.7 66.7 26.6 115 115 A P T 3 S+ 0 0 91 0, 0.0 55,-0.1 0, 0.0 -1,-0.1 0.794 121.0 57.2 -55.4 -30.8 10.4 70.0 28.0 116 116 A S T 3 S- 0 0 58 53,-0.4 3,-0.1 2,-0.1 53,-0.1 0.680 122.3-105.5 -74.4 -18.5 6.9 69.3 26.8 117 117 A G S < S+ 0 0 14 -3,-1.7 51,-0.1 1,-0.4 53,-0.1 0.188 72.0 146.7 110.2 -14.6 6.8 66.1 28.7 118 118 A A - 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