==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 26-JUN-03 1PV5 . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN YWQG; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR Y.KIM,P.QUARTEY,A.JOACHIMIAK,MIDWEST CENTER FOR STRUCTURAL . 261 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13046.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 146 55.9 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 . 60 23.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 21 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 26 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 0 2 1 1 0 0 1 0 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 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 . 5 2 1 0 1 3 0 0 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 1 0 0 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 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 0 201 0, 0.0 2,-0.3 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 128.6 9.9 50.1 -22.7 2 2 A N - 0 0 119 1,-0.1 0, 0.0 0, 0.0 0, 0.0 -0.627 360.0-103.2 -73.5 134.5 8.4 46.7 -21.9 3 3 A H - 0 0 110 -2,-0.3 -1,-0.1 1,-0.0 0, 0.0 -0.256 39.6-176.5 -64.8 146.1 5.8 46.2 -24.7 4 4 A L - 0 0 0 -3,-0.1 5,-0.1 2,-0.0 178,-0.0 -0.993 34.4-107.1-138.9 137.0 2.1 46.7 -24.2 5 5 A P >> - 0 0 15 0, 0.0 3,-1.8 0, 0.0 4,-0.8 -0.384 45.0-102.2 -62.3 150.7 -0.6 46.0 -26.8 6 6 A E G >4 S+ 0 0 156 1,-0.3 3,-1.4 2,-0.2 -2,-0.0 0.827 117.7 48.3 -41.9 -55.7 -2.0 49.3 -28.1 7 7 A K G 34 S+ 0 0 95 1,-0.3 -1,-0.3 2,-0.1 4,-0.1 0.650 108.5 57.1 -67.4 -13.0 -5.3 49.5 -26.2 8 8 A X G X4 S+ 0 0 1 -3,-1.8 3,-2.1 1,-0.2 -1,-0.3 0.624 81.6 88.4 -89.9 -14.2 -3.5 48.7 -23.0 9 9 A R G X< S+ 0 0 112 -3,-1.4 3,-2.0 -4,-0.8 4,-0.3 0.825 77.6 62.0 -56.4 -34.0 -1.1 51.6 -23.2 10 10 A P G 3 S+ 0 0 106 0, 0.0 3,-0.3 0, 0.0 -1,-0.3 0.696 103.8 53.7 -65.8 -14.0 -3.4 54.1 -21.4 11 11 A Y G <> S+ 0 0 64 -3,-2.1 4,-2.4 1,-0.2 5,-0.2 0.319 76.2 104.6-100.1 8.5 -3.1 51.7 -18.5 12 12 A R H <> S+ 0 0 24 -3,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.864 77.7 51.8 -58.6 -39.3 0.7 51.8 -18.4 13 13 A D H > S+ 0 0 118 -3,-0.3 4,-2.1 -4,-0.3 -1,-0.2 0.911 110.6 49.0 -65.2 -40.4 1.0 54.0 -15.3 14 14 A L H > S+ 0 0 47 2,-0.2 4,-1.6 -4,-0.2 -2,-0.2 0.926 111.9 48.2 -63.2 -46.0 -1.4 51.8 -13.4 15 15 A L H X S+ 0 0 3 -4,-2.4 4,-0.7 1,-0.2 138,-0.3 0.911 109.8 53.0 -62.9 -39.5 0.6 48.7 -14.3 16 16 A E H >< S+ 0 0 104 -4,-2.4 3,-1.0 1,-0.2 -1,-0.2 0.910 106.8 51.9 -61.6 -41.5 3.8 50.4 -13.4 17 17 A K H 3< S+ 0 0 182 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.842 108.6 52.8 -63.7 -31.2 2.4 51.2 -9.9 18 18 A S H 3< S+ 0 0 2 -4,-1.6 -1,-0.2 -5,-0.1 -2,-0.2 0.587 80.2 129.5 -80.3 -11.8 1.5 47.5 -9.5 19 19 A A << - 0 0 40 -3,-1.0 2,-0.4 -4,-0.7 133,-0.2 -0.151 40.1-163.6 -51.4 132.3 5.0 46.3 -10.3 20 20 A K E -A 151 0A 65 131,-2.5 131,-1.7 176,-0.0 2,-0.2 -0.962 18.4-125.4-120.8 136.8 6.4 43.8 -7.7 21 21 A E E +A 150 0A 101 -2,-0.4 176,-0.7 129,-0.2 2,-0.3 -0.590 42.6 163.4 -76.5 141.9 10.0 42.8 -7.3 22 22 A Y E -AB 149 196A 28 127,-2.7 127,-3.3 -2,-0.2 2,-0.6 -0.907 38.8-107.9-149.7 177.1 10.5 39.0 -7.5 23 23 A V E -AB 148 195A 0 172,-3.0 172,-2.2 -2,-0.3 2,-0.3 -0.947 24.4-150.3-118.3 113.0 13.1 36.3 -8.0 24 24 A K E -AB 147 194A 98 123,-2.9 123,-2.1 -2,-0.6 2,-0.7 -0.631 13.1-143.2 -78.9 138.2 13.0 34.4 -11.3 25 25 A L E -A 146 0A 7 168,-2.2 2,-0.4 -2,-0.3 168,-0.4 -0.894 11.4-165.3-107.9 106.2 14.3 30.9 -10.8 26 26 A N E -A 145 0A 49 119,-2.5 119,-3.2 -2,-0.7 2,-0.3 -0.745 19.4-147.8 -85.0 135.7 16.4 29.6 -13.8 27 27 A V E -A 144 0A 25 -2,-0.4 2,-0.4 117,-0.2 117,-0.2 -0.835 18.2-170.2-113.7 149.6 16.8 25.9 -13.5 28 28 A R E -A 143 0A 143 115,-2.2 115,-3.5 -2,-0.3 199,-0.1 -0.947 29.1-120.7-139.1 114.2 19.5 23.5 -14.5 29 29 A K E +A 142 0A 114 -2,-0.4 113,-0.3 197,-0.3 2,-0.2 -0.221 68.5 82.4 -50.5 132.6 19.1 19.7 -14.4 30 30 A G S S- 0 0 29 111,-2.7 2,-0.2 197,-0.1 -2,-0.1 -0.846 77.8 -46.7 152.3 172.5 21.7 18.2 -12.0 31 31 A K - 0 0 184 -2,-0.2 2,-0.3 111,-0.1 112,-0.1 -0.458 48.3-165.7 -74.1 141.6 22.9 17.3 -8.5 32 32 A T - 0 0 25 -2,-0.2 10,-0.2 4,-0.1 6,-0.1 -0.898 21.1-102.3-127.9 157.2 22.6 19.9 -5.7 33 33 A G > - 0 0 30 -2,-0.3 3,-1.1 4,-0.1 11,-0.1 -0.267 35.3-104.4 -74.8 164.1 24.0 20.2 -2.2 34 34 A R T 3 S+ 0 0 64 1,-0.2 -1,-0.1 9,-0.1 10,-0.0 0.823 120.2 37.4 -55.3 -38.0 22.3 19.5 1.1 35 35 A Y T 3 S+ 0 0 69 8,-0.1 -1,-0.2 2,-0.1 2,-0.1 0.430 97.3 108.6 -98.1 1.7 21.8 23.2 1.9 36 36 A D S < S- 0 0 64 -3,-1.1 2,-0.3 1,-0.1 8,-0.1 -0.323 76.5-104.5 -82.9 160.2 21.0 24.5 -1.6 37 37 A S + 0 0 13 107,-0.2 107,-0.7 30,-0.2 2,-0.3 -0.606 58.9 155.7 -74.7 141.0 17.9 25.7 -3.2 38 38 A K E -CD 65 143A 4 27,-2.2 27,-2.0 -2,-0.3 2,-0.4 -0.981 45.2-127.2-162.5 164.8 16.7 22.9 -5.5 39 39 A I E S-CD 64 142A 3 103,-2.0 103,-2.3 -2,-0.3 25,-0.3 -0.981 86.1 -12.5-116.4 135.1 13.7 21.4 -7.3 40 40 A A S S+ 0 0 4 23,-2.5 -1,-0.3 -2,-0.4 2,-0.2 0.861 100.5 92.0 32.7 108.2 13.3 17.5 -6.7 41 41 A G S S- 0 0 8 21,-0.3 21,-0.3 100,-0.2 -1,-0.1 -0.844 83.6 -37.0 167.2-162.8 16.3 16.0 -5.0 42 42 A D - 0 0 79 -2,-0.2 2,-0.1 -10,-0.2 -10,-0.0 -0.706 56.7-136.3 -94.7 138.6 17.2 15.4 -1.3 43 43 A P - 0 0 2 0, 0.0 2,-0.5 0, 0.0 -8,-0.1 -0.336 23.1-103.2 -85.7 166.1 16.3 17.9 1.5 44 44 A Y + 0 0 1 -8,-0.1 80,-0.1 -2,-0.1 -9,-0.0 -0.742 54.9 168.6 -79.3 130.8 18.3 19.2 4.4 45 45 A F - 0 0 4 -2,-0.5 78,-3.2 78,-0.3 2,-0.1 -0.825 32.7-133.5-156.9 117.7 16.8 17.2 7.3 46 46 A P B > -J 122 0B 4 0, 0.0 3,-1.3 0, 0.0 76,-0.3 -0.394 18.7-133.1 -66.0 138.9 17.9 16.8 11.0 47 47 A K T 3 S+ 0 0 124 74,-2.9 75,-0.1 1,-0.2 4,-0.1 0.777 104.6 59.2 -62.8 -27.4 17.9 13.2 12.3 48 48 A H T 3 S+ 0 0 138 73,-0.4 -1,-0.2 2,-0.1 2,-0.2 0.590 91.6 86.6 -80.7 -9.1 16.0 14.3 15.4 49 49 A E S < S- 0 0 89 -3,-1.3 2,-0.7 1,-0.0 -4,-0.0 -0.548 86.2-109.8 -91.1 156.9 13.1 15.7 13.5 50 50 A T - 0 0 127 -2,-0.2 3,-0.1 1,-0.0 -2,-0.1 -0.778 34.2-128.4 -87.2 115.8 10.0 13.7 12.4 51 51 A Y - 0 0 28 -2,-0.7 -6,-0.0 -4,-0.1 -1,-0.0 -0.394 36.0 -96.4 -63.6 134.8 10.1 13.3 8.6 52 52 A P - 0 0 4 0, 0.0 8,-2.4 0, 0.0 2,-0.3 -0.259 43.6-170.6 -57.6 132.9 6.8 14.4 7.0 53 53 A T B -K 59 0C 55 6,-0.2 54,-0.1 -3,-0.1 35,-0.1 -0.920 16.9-123.7-124.0 151.7 4.3 11.6 6.2 54 54 A D > - 0 0 8 4,-2.5 3,-2.4 -2,-0.3 52,-0.2 -0.028 49.3 -73.5 -80.5-171.0 1.0 11.8 4.3 55 55 A E T 3 S+ 0 0 119 1,-0.3 51,-0.1 2,-0.1 -1,-0.1 0.722 135.0 47.5 -61.4 -20.9 -2.4 10.8 5.4 56 56 A N T 3 S- 0 0 117 2,-0.1 -1,-0.3 50,-0.0 50,-0.0 0.212 121.0-106.5-103.7 14.7 -1.6 7.1 5.3 57 57 A G S < S+ 0 0 44 -3,-2.4 -2,-0.1 1,-0.2 3,-0.0 0.647 72.4 141.4 73.3 18.0 1.7 7.6 7.1 58 58 A Q - 0 0 91 1,-0.1 -4,-2.5 71,-0.0 -1,-0.2 -0.732 60.3 -99.6 -91.6 140.0 4.0 7.1 4.1 59 59 A P B -K 53 0C 24 0, 0.0 30,-0.4 0, 0.0 71,-0.3 -0.263 38.5-134.2 -58.7 142.1 7.0 9.4 3.8 60 60 A X - 0 0 0 -8,-2.4 2,-0.4 28,-0.1 28,-0.2 -0.332 13.0-124.0 -89.0 176.3 6.6 12.4 1.5 61 61 A K E - E 0 87A 56 26,-2.5 26,-2.1 -2,-0.1 2,-0.2 -0.964 25.8-104.8-126.8 141.7 9.1 13.6 -1.1 62 62 A L E - E 0 86A 2 -2,-0.4 -21,-0.3 -21,-0.3 24,-0.3 -0.434 27.5-177.3 -67.6 128.1 10.6 17.0 -1.5 63 63 A L E S- 0 0 0 22,-3.5 -23,-2.5 1,-0.4 2,-0.3 0.843 70.4 -27.4 -88.3 -43.8 9.1 19.1 -4.3 64 64 A A E -CE 39 85A 2 21,-1.4 21,-2.8 -25,-0.3 -1,-0.4 -0.970 51.2-150.8-167.9 157.8 11.6 22.0 -3.7 65 65 A Q E -CE 38 84A 2 -27,-2.0 -27,-2.2 -2,-0.3 2,-0.5 -0.998 9.5-159.6-138.2 135.3 13.7 23.7 -1.0 66 66 A I E - E 0 83A 6 17,-3.0 17,-2.8 -2,-0.4 2,-0.8 -0.977 6.6-155.5-118.5 126.2 14.6 27.4 -0.9 67 67 A N E > - E 0 82A 12 -2,-0.5 3,-2.3 15,-0.2 15,-0.2 -0.903 10.7-153.0 -99.0 112.1 17.6 28.6 1.2 68 68 A F G > S+ 0 0 6 13,-2.7 3,-0.7 -2,-0.8 -1,-0.1 0.652 92.7 62.3 -61.6 -15.0 16.7 32.2 1.9 69 69 A S G 3 S+ 0 0 74 12,-0.4 -1,-0.3 1,-0.2 11,-0.1 0.559 99.3 58.2 -83.8 -8.9 20.4 33.1 2.1 70 70 A H G < S+ 0 0 89 -3,-2.3 -1,-0.2 2,-0.1 -2,-0.2 0.122 98.0 65.1-107.6 17.3 20.9 32.0 -1.5 71 71 A I S < S- 0 0 19 -3,-0.7 3,-0.1 74,-0.1 -48,-0.0 -0.967 94.3 -84.1-137.3 155.5 18.4 34.4 -3.2 72 72 A P - 0 0 37 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 -0.246 58.5-100.5 -53.3 146.9 18.1 38.1 -3.7 73 73 A Q - 0 0 94 -4,-0.1 2,-0.4 75,-0.0 6,-0.1 -0.567 39.0-163.7 -75.6 130.8 16.5 39.7 -0.6 74 74 A L > - 0 0 8 -2,-0.3 3,-2.0 4,-0.2 -52,-0.0 -0.919 33.7 -94.1-113.8 141.1 12.8 40.5 -1.1 75 75 A D T 3 S+ 0 0 146 -2,-0.4 -1,-0.0 1,-0.3 -54,-0.0 -0.277 110.5 10.6 -53.5 131.6 10.9 42.9 1.3 76 76 A G T 3 S+ 0 0 60 1,-0.3 -1,-0.3 171,-0.0 3,-0.1 0.160 99.6 116.8 87.1 -20.1 9.2 40.9 4.0 77 77 A Y S < S- 0 0 25 -3,-2.0 -1,-0.3 1,-0.1 170,-0.0 -0.494 75.3 -93.9 -82.3 153.1 11.0 37.6 3.3 78 78 A P - 0 0 9 0, 0.0 -4,-0.2 0, 0.0 -1,-0.1 -0.253 23.2-138.4 -61.2 153.5 13.3 35.9 5.8 79 79 A S S S+ 0 0 85 1,-0.1 2,-0.3 -6,-0.1 -2,-0.0 0.637 81.6 2.4 -87.3 -17.1 17.0 36.7 5.5 80 80 A S S S+ 0 0 54 -11,-0.1 2,-0.1 -12,-0.1 -1,-0.1 -0.923 81.5 87.1-155.1 179.6 18.0 33.1 6.2 81 81 A G - 0 0 2 -2,-0.3 -13,-2.7 -3,-0.1 2,-0.5 -0.263 67.0 -92.2 105.0 164.0 16.6 29.6 6.8 82 82 A I E -EF 67 112A 0 30,-2.1 30,-2.3 -15,-0.2 2,-0.5 -0.978 31.1-159.4-120.9 120.0 15.6 26.8 4.5 83 83 A L E -EF 66 111A 0 -17,-2.8 -17,-3.0 -2,-0.5 2,-0.4 -0.872 14.0-164.4 -99.5 131.9 11.9 26.6 3.4 84 84 A Q E -EF 65 110A 0 26,-3.4 26,-2.2 -2,-0.5 2,-0.5 -0.925 14.2-160.0-123.9 143.6 10.8 23.2 2.2 85 85 A F E +EF 64 109A 0 -21,-2.8 -22,-3.5 -2,-0.4 -21,-1.4 -0.984 17.8 179.9-122.7 122.2 7.7 22.0 0.2 86 86 A Y E -EF 62 108A 1 22,-3.0 22,-2.2 -2,-0.5 2,-0.3 -0.882 7.3-171.5-120.1 152.3 6.8 18.3 0.3 87 87 A I E -EF 61 107A 1 -26,-2.1 -26,-2.5 -2,-0.3 20,-0.2 -0.966 32.1-101.4-139.3 156.2 4.0 16.1 -1.3 88 88 A S - 0 0 4 18,-2.4 3,-0.2 -2,-0.3 -28,-0.1 -0.435 21.2-152.2 -67.5 150.3 2.7 12.5 -0.9 89 89 A V S S+ 0 0 15 -30,-0.4 45,-0.5 1,-0.2 3,-0.2 0.426 82.0 71.3-104.0 -0.8 3.9 10.3 -3.8 90 90 A H S S+ 0 0 73 42,-0.2 -1,-0.2 1,-0.1 41,-0.0 -0.070 80.0 66.7-108.3 35.2 0.8 8.0 -3.5 91 91 A D S S- 0 0 33 -3,-0.2 -1,-0.1 43,-0.1 -2,-0.1 0.548 78.7-123.1-140.1 4.7 -2.2 9.9 -4.8 92 92 A D S S+ 0 0 118 -3,-0.2 43,-0.0 1,-0.1 -3,-0.0 0.475 101.2 68.9 69.8 -0.7 -2.8 10.9 -8.4 93 93 A V S > S- 0 0 48 3,-0.0 3,-2.5 139,-0.0 -1,-0.1 0.048 108.8-109.3-136.7 27.7 -3.2 14.6 -7.5 94 94 A Y T 3 S- 0 0 44 1,-0.3 -5,-0.1 -5,-0.1 42,-0.0 0.780 73.6 -64.9 49.2 28.9 0.3 15.5 -6.4 95 95 A G T 3 S+ 0 0 0 1,-0.2 11,-0.4 -8,-0.1 -1,-0.3 0.575 86.0 161.3 76.0 9.3 -1.0 15.8 -2.9 96 96 A L < - 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