==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS 13-MAY-07 2JPI . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR X.AI,A.SEMESI,A.YEE,C.H.ARROWSMITH,S.S.C.LI,W.CHOY,ONTARIO . 96 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6243.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 77 80.2 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 . 27 28.1 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 2.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 1.0 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 . 14 14.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 8 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 23 24.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 2.1 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 0 0 0 1 0 0 0 0 0 1 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 . 1 0 0 2 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 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 M 0 0 175 0, 0.0 2,-0.2 0, 0.0 95,-0.0 0.000 360.0 360.0 360.0 93.0 6.8 14.6 -4.7 2 2 A F E -A 61 0A 39 59,-2.4 59,-1.3 93,-0.1 2,-0.3 -0.492 360.0-145.6 -98.2 170.2 3.0 14.2 -4.7 3 3 A R E +A 60 0A 147 91,-1.8 91,-0.3 -2,-0.2 2,-0.3 -0.936 15.5 177.8-148.5 124.7 0.9 12.2 -2.3 4 4 A S E -A 59 0A 0 55,-0.5 55,-1.0 -2,-0.3 2,-0.4 -0.754 12.6-152.7-115.9 162.9 -2.4 10.2 -2.7 5 5 A T E -A 58 0A 36 -2,-0.3 2,-0.4 53,-0.2 87,-0.3 -0.955 3.9-162.8-146.0 126.1 -4.3 8.1 -0.2 6 6 A S E -A 57 0A 2 51,-2.1 51,-1.9 -2,-0.4 2,-0.4 -0.884 8.6-162.0-107.6 133.9 -6.7 5.1 -0.7 7 7 A H E +AB 56 90A 88 83,-0.7 83,-0.8 -2,-0.4 2,-0.3 -0.958 15.3 165.6-119.1 130.7 -9.1 4.0 2.1 8 8 A V E -A 55 0A 14 47,-1.8 47,-1.9 -2,-0.4 2,-0.8 -0.978 36.8-120.5-140.2 153.6 -10.8 0.6 2.2 9 9 A R + 0 0 192 -2,-0.3 2,-0.3 79,-0.3 45,-0.2 -0.826 48.4 153.0 -99.0 105.9 -12.6 -1.5 4.8 10 10 A T - 0 0 17 -2,-0.8 3,-0.4 43,-0.3 2,-0.3 -0.921 37.0-126.4-130.1 156.8 -10.8 -4.8 5.3 11 11 A E S S+ 0 0 137 -2,-0.3 42,-0.3 1,-0.2 -2,-0.0 -0.807 88.2 7.2-105.7 145.5 -10.4 -7.3 8.2 12 12 A S S >> S+ 0 0 65 40,-2.5 3,-1.5 -2,-0.3 4,-0.8 0.774 80.2 152.1 59.2 26.4 -7.2 -8.6 9.7 13 13 A A H >> + 0 0 0 38,-1.0 4,-1.5 -3,-0.4 3,-1.2 0.905 55.2 70.8 -51.0 -52.8 -5.4 -6.0 7.5 14 14 A A H 3> S+ 0 0 30 1,-0.3 4,-1.6 2,-0.2 -1,-0.3 0.713 97.8 53.2 -41.9 -26.5 -2.4 -5.6 9.8 15 15 A R H <> S+ 0 0 115 -3,-1.5 4,-2.5 2,-0.2 -1,-0.3 0.888 102.8 53.5 -80.0 -40.1 -1.3 -9.1 8.8 16 16 A Y H << S+ 0 0 70 -3,-1.2 4,-0.5 -4,-0.8 -2,-0.2 0.795 111.6 49.2 -65.5 -24.0 -1.4 -8.5 5.1 17 17 A V H >X S+ 0 0 2 -4,-1.5 4,-1.0 2,-0.2 3,-0.6 0.917 113.5 43.4 -78.6 -46.0 0.9 -5.5 5.7 18 18 A N H 3X S+ 0 0 28 -4,-1.6 4,-0.7 1,-0.2 -2,-0.2 0.783 111.4 56.4 -69.1 -27.5 3.4 -7.4 7.9 19 19 A R H 3X S+ 0 0 129 -4,-2.5 4,-0.8 1,-0.2 -1,-0.2 0.680 97.3 64.7 -77.6 -18.6 3.3 -10.3 5.4 20 20 A L H <>>S+ 0 0 21 -3,-0.6 4,-3.0 -4,-0.5 5,-0.9 0.930 95.2 54.3 -70.7 -47.1 4.4 -8.0 2.5 21 21 A C H <5S+ 0 0 11 -4,-1.0 4,-0.4 1,-0.3 -1,-0.2 0.855 115.4 42.2 -56.2 -32.9 7.8 -7.1 3.9 22 22 A K H <5S+ 0 0 140 -4,-0.7 -1,-0.3 2,-0.1 -2,-0.2 0.683 119.4 46.8 -84.4 -20.7 8.4 -10.8 4.1 23 23 A H H <5S+ 0 0 118 -4,-0.8 -2,-0.2 -3,-0.5 -3,-0.2 0.946 128.4 18.0 -85.1 -61.0 6.8 -11.4 0.7 24 24 A W T ><5S+ 0 0 132 -4,-3.0 2,-3.4 1,-0.2 3,-0.9 0.588 96.6 102.9 -89.7 -11.3 8.3 -8.7 -1.6 25 25 A G T 3 < + 0 0 32 -5,-0.9 -1,-0.2 -4,-0.4 -4,-0.1 -0.278 48.2 105.2 -70.3 61.6 11.2 -8.0 0.7 26 26 A H T 3 S- 0 0 184 -2,-3.4 -1,-0.2 3,-0.0 -2,-0.1 0.642 100.2 -0.9-110.8 -26.3 13.6 -10.0 -1.6 27 27 A K S < S+ 0 0 165 -3,-0.9 2,-0.3 0, 0.0 -2,-0.1 0.120 120.7 69.9-151.7 21.4 15.5 -7.2 -3.2 28 28 A F S S- 0 0 69 -4,-0.3 2,-0.9 -7,-0.1 13,-0.1 -0.918 86.5 -92.8-140.3 165.7 14.0 -4.0 -1.8 29 29 A E E +C 40 0A 99 11,-0.7 11,-1.1 -2,-0.3 2,-0.5 -0.709 46.7 174.5 -84.6 106.5 13.8 -2.1 1.5 30 30 A V E -C 39 0A 35 -2,-0.9 2,-0.3 9,-0.2 9,-0.2 -0.941 13.6-160.9-119.1 114.3 10.7 -3.3 3.4 31 31 A E E -C 38 0A 122 7,-2.4 7,-1.6 -2,-0.5 2,-0.5 -0.725 4.0-156.3 -93.0 139.5 10.1 -2.0 6.9 32 32 A L E +C 37 0A 83 -2,-0.3 5,-0.2 5,-0.2 -14,-0.1 -0.916 25.4 152.5-122.1 108.4 7.7 -3.9 9.2 33 33 A T - 0 0 65 3,-1.5 2,-2.1 -2,-0.5 3,-0.5 -0.847 58.8 -99.0-126.5 163.0 6.0 -2.1 12.0 34 34 A P S S+ 0 0 113 0, 0.0 3,-0.1 0, 0.0 -20,-0.1 -0.182 119.6 43.8 -77.2 48.1 2.7 -2.6 13.8 35 35 A E S S- 0 0 102 -2,-2.1 15,-1.5 1,-0.3 2,-0.3 0.365 118.5 -18.2-155.4 -38.3 1.1 0.1 11.7 36 36 A R E - D 0 49A 67 -3,-0.5 -3,-1.5 13,-0.2 2,-0.6 -0.991 55.0-103.5-170.5 169.6 2.2 -0.3 8.0 37 37 A G E -CD 32 48A 2 11,-1.6 11,-0.8 -2,-0.3 2,-0.6 -0.928 30.2-157.5-109.2 117.4 4.5 -1.7 5.5 38 38 A F E +CD 31 47A 41 -7,-1.6 -7,-2.4 -2,-0.6 2,-0.4 -0.851 18.3 167.5 -99.7 122.3 7.1 0.7 4.0 39 39 A I E -CD 30 46A 19 7,-1.5 7,-0.6 -2,-0.6 2,-0.4 -0.882 9.2-174.6-136.3 103.3 8.6 -0.2 0.6 40 40 A D E -C 29 0A 28 -11,-1.1 -11,-0.7 -2,-0.4 5,-0.2 -0.836 17.5-163.7-102.4 134.5 10.6 2.4 -1.2 41 41 A F - 0 0 96 -2,-0.4 2,-0.6 -13,-0.1 4,-0.1 0.352 55.0-101.9 -92.4 3.6 11.9 1.7 -4.7 42 42 A G S S+ 0 0 52 2,-0.7 2,-0.4 1,-0.0 -1,-0.0 -0.677 113.7 46.3 114.4 -77.3 14.3 4.6 -4.4 43 43 A D S S+ 0 0 141 -2,-0.6 2,-0.3 18,-0.0 20,-0.2 -0.280 125.8 12.4 -95.7 47.1 12.8 7.6 -6.3 44 44 A S S S- 0 0 4 -2,-0.4 -2,-0.7 17,-0.2 2,-0.3 -0.962 72.8-127.6 170.8-171.0 9.4 7.0 -4.8 45 45 A N - 0 0 34 15,-0.3 15,-0.8 -2,-0.3 2,-0.3 -0.990 6.0-159.3-161.0 160.0 7.6 5.2 -1.9 46 46 A C E +DE 39 59A 11 -7,-0.6 -7,-1.5 -2,-0.3 2,-0.3 -0.799 16.7 178.9-150.7 102.1 4.7 2.8 -1.1 47 47 A E E -DE 38 58A 36 11,-3.1 11,-1.4 -2,-0.3 2,-0.4 -0.712 10.8-158.5-103.0 154.2 3.4 2.6 2.4 48 48 A L E -DE 37 57A 4 -11,-0.8 -11,-1.6 -2,-0.3 2,-0.4 -0.914 2.2-158.1-139.1 111.9 0.4 0.4 3.6 49 49 A L E +DE 36 56A 39 7,-3.2 7,-2.8 -2,-0.4 2,-0.4 -0.720 17.6 178.8 -88.5 131.7 -1.5 1.1 6.7 50 50 A A E + E 0 55A 3 -15,-1.5 5,-0.3 -2,-0.4 -32,-0.1 -0.892 8.2 171.1-144.2 114.5 -3.4 -2.0 8.1 51 51 A H E > - E 0 54A 88 3,-4.0 -38,-1.0 -2,-0.4 3,-0.5 -0.692 54.7 -88.5-112.5 165.0 -5.5 -2.3 11.2 52 52 A P T 3 S+ 0 0 78 0, 0.0 -40,-2.5 0, 0.0 3,-0.1 0.656 126.7 12.4 -47.0 -19.6 -7.8 -5.2 12.3 53 53 A D T 3 S+ 0 0 80 -42,-0.3 -43,-0.3 1,-0.2 2,-0.3 0.385 125.5 48.2-141.9 2.5 -10.6 -3.7 10.3 54 54 A H E < - E 0 51A 64 -3,-0.5 -3,-4.0 -45,-0.2 2,-0.4 -0.984 53.3-161.1-146.4 157.2 -9.2 -1.0 8.0 55 55 A V E -AE 8 50A 3 -47,-1.9 -47,-1.8 -2,-0.3 2,-0.3 -1.000 4.0-162.7-141.3 138.5 -6.4 -0.4 5.6 56 56 A L E -AE 7 49A 48 -7,-2.8 -7,-3.2 -2,-0.4 2,-0.5 -0.917 4.0-157.5-121.1 146.5 -4.7 2.8 4.2 57 57 A M E +AE 6 48A 0 -51,-1.9 -51,-2.1 -2,-0.3 2,-0.4 -0.953 16.1 171.2-128.8 114.1 -2.5 3.2 1.1 58 58 A I E -AE 5 47A 39 -11,-1.4 -11,-3.1 -2,-0.5 2,-0.4 -0.971 9.6-167.2-124.8 137.3 -0.1 6.1 0.8 59 59 A L E -AE 4 46A 0 -55,-1.0 2,-0.6 -2,-0.4 -55,-0.5 -0.952 10.9-157.8-123.7 144.2 2.6 6.7 -1.9 60 60 A N E +A 3 0A 33 -15,-0.8 -15,-0.3 -2,-0.4 -57,-0.2 -0.924 33.5 148.4-120.8 102.9 5.4 9.2 -2.0 61 61 A S E -A 2 0A 0 -59,-1.3 -59,-2.4 -2,-0.6 -17,-0.2 -0.993 48.7-142.7-142.9 135.8 6.6 9.7 -5.6 62 62 A P S S+ 0 0 66 0, 0.0 2,-0.3 0, 0.0 -18,-0.1 0.537 92.9 42.3 -68.8 -7.4 8.1 12.7 -7.6 63 63 A D S > S- 0 0 60 -20,-0.2 4,-4.1 1,-0.1 5,-0.1 -0.997 77.7-129.1-142.4 145.9 6.1 11.6 -10.6 64 64 A E H >>S+ 0 0 94 -2,-0.3 4,-4.4 2,-0.2 5,-0.6 0.926 110.1 59.3 -59.1 -43.5 2.5 10.4 -11.2 65 65 A D H >5S+ 0 0 135 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.953 116.7 33.8 -47.4 -54.4 3.7 7.4 -13.2 66 66 A S H >5S+ 0 0 15 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.979 118.0 56.0 -61.1 -56.8 5.6 6.4 -10.1 67 67 A L H X5S+ 0 0 4 -4,-4.1 4,-2.6 1,-0.3 3,-0.4 0.886 113.6 37.9 -40.3 -60.4 2.9 7.8 -7.8 68 68 A A H X5S+ 0 0 34 -4,-4.4 4,-2.9 1,-0.2 5,-0.4 0.877 109.6 63.7 -65.2 -35.9 0.2 5.7 -9.4 69 69 A H H XX S+ 0 0 3 -4,-1.6 4,-2.1 2,-0.2 3,-0.7 0.933 101.6 63.0 -71.4 -46.8 -1.3 -1.9 -3.3 75 75 A A H 3X S+ 0 0 11 -4,-1.1 4,-0.6 1,-0.3 -1,-0.2 0.796 105.5 51.6 -47.7 -27.8 -4.8 -1.8 -4.7 76 76 A D H 3X S+ 0 0 50 -4,-1.5 4,-1.9 2,-0.2 3,-0.4 0.882 103.5 54.9 -77.0 -41.4 -3.8 -5.1 -6.2 77 77 A H H < S+ 0 0 68 -4,-0.6 3,-0.6 -3,-0.4 -2,-0.2 0.906 103.2 51.8 -73.5 -43.8 -7.5 -7.8 -4.2 80 80 A R H 3< S+ 0 0 161 -4,-1.9 3,-0.2 1,-0.3 -2,-0.2 0.871 113.9 45.4 -60.6 -37.2 -5.5 -11.0 -3.9 81 81 A M T 3< S+ 0 0 42 -4,-1.6 2,-0.4 1,-0.2 -1,-0.3 0.611 117.9 47.2 -81.4 -13.4 -6.4 -11.2 -0.2 82 82 A A S X S- 0 0 24 -3,-0.6 3,-0.7 -4,-0.5 2,-0.6 -0.784 71.7-170.4-133.4 90.5 -10.1 -10.4 -1.1 83 83 A N T 3 + 0 0 140 -2,-0.4 3,-0.1 -3,-0.2 -3,-0.1 -0.717 59.9 73.3 -85.1 116.6 -11.5 -12.4 -3.9 84 84 A S T 3 S+ 0 0 96 -2,-0.6 2,-0.3 1,-0.3 -1,-0.2 0.090 99.5 2.5 173.1 -35.6 -14.9 -11.1 -5.0 85 85 A E S < S- 0 0 108 -3,-0.7 2,-3.0 -6,-0.1 -1,-0.3 -0.977 88.3 -76.2-162.2 166.7 -14.4 -7.8 -6.9 86 86 A S S S- 0 0 95 -2,-0.3 3,-0.4 1,-0.2 -3,-0.1 -0.394 83.4 -88.1 -72.1 70.7 -11.7 -5.5 -8.2 87 87 A L - 0 0 8 -2,-3.0 2,-1.3 -5,-0.4 -1,-0.2 0.757 38.6-121.5 21.2 107.5 -11.1 -4.1 -4.6 88 88 A E + 0 0 154 -79,-0.1 2,-0.4 -3,-0.1 -79,-0.3 -0.548 54.8 154.5 -71.3 98.2 -13.5 -1.2 -4.1 89 89 A I - 0 0 40 -2,-1.3 2,-0.8 -3,-0.4 -81,-0.1 -0.992 39.9-143.0-133.0 129.1 -10.9 1.4 -3.3 90 90 A A B -B 7 0A 75 -83,-0.8 -83,-0.7 -2,-0.4 2,-0.4 -0.800 21.0-162.4 -94.1 110.8 -11.2 5.2 -3.8 91 91 A W - 0 0 162 -2,-0.8 -85,-0.2 -85,-0.2 -2,-0.0 -0.774 9.0-139.0 -95.0 133.0 -7.8 6.6 -5.0 92 92 A Q - 0 0 106 -2,-0.4 -86,-0.0 -87,-0.3 -88,-0.0 -0.583 25.2-110.9 -89.3 151.9 -7.1 10.3 -4.7 93 93 A P - 0 0 103 0, 0.0 -89,-0.2 0, 0.0 -1,-0.1 0.823 47.3-123.2 -46.9 -37.9 -5.4 12.3 -7.4 94 94 A A - 0 0 1 -91,-0.3 -91,-1.8 -89,-0.1 -90,-0.2 0.674 45.8 -90.4 96.8 24.6 -2.4 12.7 -5.0 95 95 A E 0 0 157 -93,-0.2 -93,-0.1 1,-0.0 -91,-0.0 0.244 360.0 360.0 57.3 169.0 -2.3 16.5 -5.1 96 96 A S 0 0 143 -94,-0.1 -1,-0.0 -95,-0.0 0, 0.0 0.704 360.0 360.0-119.8 360.0 -0.3 18.5 -7.6