==== 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 STRUCTURAL GENOMICS, UNKNOWN FUNCTION 20-AUG-03 1Q8B . COMPND 2 MOLECULE: PROTEIN YJCS; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR R.ZHANG,A.JOACHIMIAK,A.EDWARDS,A.SAVCHENKO,MIDWEST CENTER FO . 93 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6092.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 75 80.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 30 32.3 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 . 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 . 7 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 25 26.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 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 2 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 1 1 0 1 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 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 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 12 A S 0 0 109 0, 0.0 2,-0.3 0, 0.0 92,-0.3 0.000 360.0 360.0 360.0 142.7 48.0 28.2 14.2 2 13 A X E -A 92 0A 58 90,-2.6 90,-3.0 2,-0.0 2,-0.7 -0.984 360.0-128.8-142.8 151.9 46.9 29.6 17.6 3 14 A H E -AB 91 58A 3 55,-3.3 55,-3.0 -2,-0.3 2,-0.3 -0.902 28.1-161.9-107.4 110.6 43.8 29.3 19.9 4 15 A Y E -AB 90 57A 86 86,-3.3 86,-1.9 -2,-0.7 2,-0.4 -0.727 9.5-178.2 -94.7 139.0 42.5 32.8 21.0 5 16 A I E -AB 89 56A 4 51,-3.0 51,-2.9 -2,-0.3 2,-0.4 -0.994 10.7-179.2-139.8 131.0 40.2 33.4 23.9 6 17 A T E +AB 88 55A 55 82,-1.8 82,-2.4 -2,-0.4 2,-0.3 -0.999 19.4 173.1-125.0 126.0 38.7 36.6 25.2 7 18 A A E -AB 87 54A 2 47,-2.0 47,-3.0 -2,-0.4 2,-0.5 -0.979 26.4-148.8-138.3 150.3 36.5 36.2 28.2 8 19 A C E -AB 86 53A 4 78,-2.3 77,-2.5 -2,-0.3 78,-1.4 -0.982 18.9-155.5-118.5 122.9 34.7 38.5 30.7 9 20 A L E -AB 84 52A 11 43,-3.6 43,-2.1 -2,-0.5 2,-0.5 -0.806 7.3-142.9-100.9 139.0 34.3 37.2 34.2 10 21 A K E -AB 83 51A 86 73,-3.1 73,-1.4 -2,-0.4 2,-0.6 -0.870 19.8-132.4 -98.1 126.9 31.6 38.3 36.6 11 22 A I E +A 82 0A 10 39,-2.3 71,-0.3 -2,-0.5 70,-0.1 -0.713 29.4 172.7 -81.6 121.6 32.8 38.5 40.2 12 23 A I + 0 0 82 69,-1.8 70,-0.2 -2,-0.6 2,-0.2 0.425 52.9 93.7-105.6 -3.8 30.4 36.8 42.5 13 24 A S - 0 0 21 68,-1.5 68,-0.1 1,-0.1 67,-0.0 -0.490 69.5-143.6 -84.0 158.2 32.6 37.2 45.6 14 25 A D + 0 0 150 -2,-0.2 3,-0.1 2,-0.0 -1,-0.1 0.221 61.3 120.4-106.6 12.9 32.1 40.1 47.9 15 26 A K S S- 0 0 96 1,-0.1 2,-0.1 66,-0.1 -2,-0.0 -0.247 78.4 -75.2 -73.6 165.6 35.9 40.4 48.6 16 27 A D > - 0 0 77 1,-0.1 4,-2.6 4,-0.0 3,-0.2 -0.397 37.0-130.3 -62.5 131.0 37.9 43.5 47.8 17 28 A L H > S+ 0 0 24 1,-0.2 4,-2.7 2,-0.2 -1,-0.1 0.824 109.2 52.6 -52.5 -35.5 38.6 43.9 44.1 18 29 A N H > S+ 0 0 100 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.926 108.5 48.8 -67.9 -45.0 42.3 44.4 44.8 19 30 A E H > S+ 0 0 113 -3,-0.2 4,-1.2 1,-0.2 -2,-0.2 0.935 113.3 48.5 -58.7 -46.3 42.5 41.3 46.9 20 31 A I H >X S+ 0 0 2 -4,-2.6 4,-1.6 1,-0.2 3,-0.6 0.927 108.9 52.3 -60.2 -46.8 40.8 39.4 44.1 21 32 A X H 3X S+ 0 0 20 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.815 101.4 60.8 -62.1 -30.4 43.1 40.8 41.4 22 33 A K H 3X S+ 0 0 136 -4,-1.8 4,-2.0 1,-0.2 -1,-0.2 0.893 104.6 49.7 -63.0 -37.7 46.2 39.7 43.4 23 34 A E H < S+ 0 0 69 -4,-2.1 3,-0.9 1,-0.2 4,-0.3 0.871 112.3 52.0 -74.6 -37.4 51.9 30.8 36.8 31 42 A T H >< S+ 0 0 0 -4,-2.9 3,-1.1 1,-0.2 6,-0.2 0.805 100.4 62.7 -72.6 -25.2 49.9 30.1 33.7 32 43 A N T 3< S+ 0 0 66 -4,-1.6 -1,-0.2 -5,-0.3 -2,-0.2 0.706 100.8 55.7 -69.5 -15.9 52.3 32.1 31.5 33 44 A K T < S+ 0 0 127 -3,-0.9 -1,-0.3 -4,-0.3 -2,-0.2 0.579 81.6 110.0 -89.2 -12.9 54.8 29.5 32.5 34 45 A E S X S- 0 0 15 -3,-1.1 3,-1.3 -4,-0.3 33,-0.0 -0.414 77.1-125.6 -63.3 140.2 52.6 26.7 31.2 35 46 A E T 3 S+ 0 0 180 1,-0.3 -1,-0.1 -2,-0.1 28,-0.1 0.890 106.5 47.0 -54.5 -46.7 54.2 25.2 28.1 36 47 A G T 3 S+ 0 0 19 27,-0.1 23,-2.6 22,-0.1 2,-0.6 0.463 88.9 102.4 -79.1 -0.7 51.1 25.6 25.9 37 48 A C E < +C 58 0A 13 -3,-1.3 21,-0.2 -6,-0.2 3,-0.1 -0.746 37.3 173.5 -90.6 117.3 50.4 29.2 26.9 38 49 A I E S- 0 0 59 19,-2.1 2,-0.3 -2,-0.6 20,-0.2 0.910 75.6 -11.3 -82.6 -48.7 51.4 31.9 24.4 39 50 A T E +C 57 0A 57 18,-2.1 18,-2.5 2,-0.0 -1,-0.4 -0.996 56.5 176.1-152.4 149.4 49.8 34.7 26.4 40 51 A F E +C 56 0A 6 -2,-0.3 2,-0.4 16,-0.2 16,-0.2 -0.908 12.2 167.6-153.4 122.5 47.5 35.1 29.4 41 52 A H E -C 55 0A 69 14,-2.0 14,-2.4 -2,-0.3 2,-0.4 -0.995 12.3-166.7-143.7 134.3 46.6 38.5 30.9 42 53 A A E +C 54 0A 0 -2,-0.4 12,-0.2 12,-0.2 -2,-0.0 -0.945 14.1 162.4-121.7 141.3 43.9 39.5 33.4 43 54 A Y E -C 53 0A 74 10,-1.9 10,-3.4 -2,-0.4 2,-0.2 -0.988 33.6-109.9-155.7 149.9 42.7 43.0 34.3 44 55 A P E -C 52 0A 51 0, 0.0 8,-0.2 0, 0.0 2,-0.0 -0.566 19.5-139.5 -85.3 144.3 39.7 44.6 36.0 45 56 A L - 0 0 45 6,-2.1 5,-0.1 1,-0.3 6,-0.1 -0.105 65.1 -43.9 -78.8-169.2 37.0 46.6 34.3 46 57 A E >> - 0 0 139 1,-0.1 3,-2.0 3,-0.1 4,-0.8 -0.313 63.2-113.7 -59.9 142.3 35.8 49.7 36.3 47 58 A P G >4 S+ 0 0 78 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 0.861 114.8 58.8 -43.5 -48.3 35.3 48.9 40.0 48 59 A S G 34 S+ 0 0 103 1,-0.3 -2,-0.1 2,-0.1 -3,-0.0 0.768 99.2 60.7 -57.0 -26.4 31.5 49.4 39.8 49 60 A E G <4 S- 0 0 98 -3,-2.0 -1,-0.3 2,-0.1 -38,-0.2 0.807 88.2-150.7 -71.9 -31.2 31.3 46.7 37.1 50 61 A R << + 0 0 76 -3,-1.2 -39,-2.3 -4,-0.8 2,-0.3 0.970 52.7 125.7 54.7 55.0 32.7 44.0 39.4 51 62 A K E -B 10 0A 36 -5,-0.3 -6,-2.1 -41,-0.2 2,-0.4 -0.971 48.9-151.4-142.0 155.0 34.1 42.2 36.3 52 63 A I E -BC 9 44A 0 -43,-2.1 -43,-3.6 -2,-0.3 2,-0.4 -0.995 13.2-144.4-130.7 134.9 37.5 40.9 35.2 53 64 A X E -BC 8 43A 22 -10,-3.4 -10,-1.9 -2,-0.4 2,-0.4 -0.805 9.1-158.3-103.1 141.8 38.7 40.6 31.6 54 65 A L E -BC 7 42A 14 -47,-3.0 -47,-2.0 -2,-0.4 2,-0.5 -0.972 7.4-169.4-123.2 130.0 40.9 37.8 30.2 55 66 A W E +BC 6 41A 129 -14,-2.4 -14,-2.0 -2,-0.4 2,-0.4 -0.978 22.7 174.6-113.5 119.3 43.0 38.0 27.1 56 67 A E E -BC 5 40A 14 -51,-2.9 -51,-3.0 -2,-0.5 2,-0.4 -0.983 22.5-178.5-135.8 142.3 44.4 34.5 26.2 57 68 A I E -BC 4 39A 24 -18,-2.5 -19,-2.1 -2,-0.4 -18,-2.1 -0.995 16.4-176.5-134.1 126.3 46.4 32.9 23.4 58 69 A W E -BC 3 37A 0 -55,-3.0 -55,-3.3 -2,-0.4 -21,-0.2 -0.872 39.0-121.0-124.2 158.7 47.1 29.2 23.4 59 70 A E S S- 0 0 100 -23,-2.6 2,-0.3 -2,-0.3 -22,-0.1 0.817 91.9 -35.9 -63.0 -30.5 49.1 26.7 21.2 60 71 A N S > S- 0 0 58 -24,-0.3 4,-0.8 -57,-0.2 3,-0.4 -0.970 72.3 -75.3-175.7 179.0 45.8 24.8 20.8 61 72 A E H > S+ 0 0 86 -2,-0.3 4,-1.3 1,-0.2 3,-0.4 0.814 121.2 58.3 -63.5 -34.1 42.6 23.7 22.4 62 73 A E H > S+ 0 0 117 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.858 97.0 62.6 -66.0 -33.9 44.2 21.0 24.5 63 74 A A H > S+ 0 0 5 -3,-0.4 4,-2.2 1,-0.2 -1,-0.2 0.866 101.5 52.7 -58.0 -36.0 46.5 23.6 26.1 64 75 A V H X S+ 0 0 10 -4,-0.8 4,-1.2 -3,-0.4 -1,-0.2 0.923 111.2 45.1 -65.1 -45.4 43.3 25.2 27.5 65 76 A K H < S+ 0 0 148 -4,-1.3 3,-0.4 2,-0.2 4,-0.3 0.911 111.9 51.6 -65.3 -42.4 42.1 21.9 29.0 66 77 A I H >X S+ 0 0 85 -4,-3.1 3,-1.9 1,-0.2 4,-0.9 0.899 103.4 61.5 -59.7 -40.3 45.6 21.2 30.4 67 78 A H H >< S+ 0 0 6 -4,-2.2 3,-0.7 1,-0.3 6,-0.3 0.873 100.4 52.8 -52.5 -42.6 45.5 24.6 32.0 68 79 A F T 3< S+ 0 0 105 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.479 103.4 57.1 -77.9 -0.6 42.4 23.7 34.0 69 80 A T T <4 S+ 0 0 96 -3,-1.9 -1,-0.2 -4,-0.3 -2,-0.2 0.603 83.6 105.0 -99.0 -17.1 44.1 20.6 35.4 70 81 A K S S+ 0 0 144 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.849 105.6 58.5 -65.8 -35.5 46.9 23.1 40.6 72 83 A H H > S+ 0 0 44 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.822 110.0 45.1 -65.1 -28.0 47.5 26.9 40.3 73 84 A T H >> S+ 0 0 8 -3,-0.4 4,-2.0 -6,-0.3 3,-0.6 0.944 113.2 47.8 -77.8 -50.4 44.4 27.1 38.2 74 85 A I H 3X S+ 0 0 63 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.833 104.0 63.4 -59.9 -33.3 42.2 24.9 40.5 75 86 A D H 3< S+ 0 0 60 -4,-2.5 4,-0.4 1,-0.2 -1,-0.2 0.907 108.1 40.3 -58.3 -43.5 43.4 26.8 43.5 76 87 A V H X<>S+ 0 0 17 -4,-0.9 3,-1.2 -3,-0.6 5,-0.5 0.892 113.1 56.6 -71.1 -39.2 41.8 30.0 42.3 77 88 A Q H ><5S+ 0 0 114 -4,-2.0 3,-1.9 1,-0.3 -2,-0.2 0.893 99.2 58.6 -58.4 -44.0 38.8 28.0 41.1 78 89 A K T 3<5S+ 0 0 139 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.667 95.5 66.0 -62.7 -16.9 38.1 26.6 44.5 79 90 A Q T < 5S- 0 0 67 -3,-1.2 -1,-0.3 -4,-0.4 -2,-0.2 0.614 93.8-144.6 -80.6 -13.9 37.8 30.2 45.8 80 91 A E T < 5 + 0 0 149 -3,-1.9 -3,-0.1 -4,-0.3 -2,-0.1 0.904 47.6 145.8 49.7 50.6 34.6 30.7 43.8 81 92 A L < + 0 0 6 -5,-0.5 -69,-1.8 -69,-0.1 -68,-1.5 0.756 61.9 10.0 -86.7 -26.2 35.4 34.3 43.1 82 93 A T E -A 11 0A 37 -71,-0.3 2,-0.3 -70,-0.2 -71,-0.2 -0.829 50.9-154.1-143.4 178.5 34.0 34.4 39.6 83 94 A E E -A 10 0A 100 -73,-1.4 -73,-3.1 -2,-0.2 2,-0.4 -0.939 41.6 -97.7-152.1 149.5 31.9 32.8 36.9 84 95 A V E -A 9 0A 81 -2,-0.3 -75,-0.2 -75,-0.2 3,-0.1 -0.637 31.9-177.0 -77.9 127.0 32.2 33.4 33.1 85 96 A E E S- 0 0 94 -77,-2.5 2,-0.3 -2,-0.4 -76,-0.2 0.875 71.1 -9.7 -87.8 -47.0 29.7 35.9 31.8 86 97 A W E -A 8 0A 106 -78,-1.4 -78,-2.3 2,-0.0 -1,-0.4 -0.991 62.6-173.8-151.2 154.6 30.7 35.6 28.2 87 98 A L E -A 7 0A 77 -2,-0.3 2,-0.5 -80,-0.2 -80,-0.2 -0.983 8.3-162.7-153.7 138.6 33.5 34.0 26.1 88 99 A X E -A 6 0A 142 -82,-2.4 -82,-1.8 -2,-0.3 2,-0.3 -0.978 10.4-168.2-129.5 121.8 34.6 34.0 22.5 89 100 A K E +A 5 0A 107 -2,-0.5 2,-0.3 -84,-0.2 -84,-0.2 -0.742 9.1 172.9-104.4 152.0 37.0 31.4 21.1 90 101 A S E -A 4 0A 62 -86,-1.9 -86,-3.3 -2,-0.3 2,-0.6 -0.945 28.2-138.4-162.6 137.5 38.8 31.5 17.8 91 102 A N E -A 3 0A 98 -2,-0.3 2,-0.4 -88,-0.2 -88,-0.2 -0.882 28.0-174.5 -98.5 123.6 41.5 29.5 15.9 92 103 A V E A 2 0A 54 -90,-3.0 -90,-2.6 -2,-0.6 -2,-0.0 -0.979 360.0 360.0-122.4 129.6 43.8 31.9 14.1 93 104 A N 0 0 175 -2,-0.4 -2,-0.0 -92,-0.3 0, 0.0 -0.504 360.0 360.0-113.6 360.0 46.6 30.8 11.7