==== 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 HYDROLASE/HYDROLASE INHIBITOR/DNA 03-OCT-95 1HAO . COMPND 2 MOLECULE: DNA 5'-D(*GP*GP*TP*TP*GP*GP*TP*GP*TP*GP*GP*TP*TP* . SOURCE 2 SYNTHETIC: YES; . AUTHOR A.TULINSKY,K.PADMANABHAN . 281 4 4 3 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12654.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 170 60.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 72 25.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 1.1 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 . 2 0.7 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 . 3 1.1 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 . 22 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 25 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.8 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 4 5 2 2 2 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 . 1 0 1 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 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 1BL A 0 0 130 0, 0.0 2,-0.4 0, 0.0 146,-0.0 0.000 360.0 360.0 360.0 -74.4 8.1 23.4 39.2 2 1AL D + 0 0 56 144,-0.0 3,-0.3 3,-0.0 2,-0.1 -0.697 360.0 162.0-115.7 60.3 9.6 21.5 36.3 3 1 L a + 0 0 31 -2,-0.4 143,-0.2 1,-0.2 2,-0.1 -0.185 53.8 8.1 -71.8 178.2 12.1 24.2 35.8 4 2 L G S S+ 0 0 0 238,-0.2 238,-2.0 141,-0.2 2,-0.4 0.164 85.7 117.0 6.3 51.3 15.2 23.6 33.7 5 3 L L - 0 0 37 -3,-0.3 236,-0.1 140,-0.3 235,-0.0 -0.981 62.4-126.6-137.2 110.1 14.8 20.1 32.2 6 4 L R > > - 0 0 0 -2,-0.4 5,-2.6 1,-0.1 3,-1.8 -0.456 2.1-138.4 -78.0 128.1 14.6 20.1 28.5 7 5 L P T 3 5S+ 0 0 20 0, 0.0 134,-0.1 0, 0.0 -1,-0.1 0.534 105.5 27.0 -56.8 -7.6 11.8 18.5 26.6 8 6 L L T 3 5S+ 0 0 34 30,-0.3 31,-0.0 133,-0.2 -2,-0.0 0.205 129.9 40.7-135.0 4.3 14.0 16.9 24.0 9 7 L F T < >S+ 0 0 9 -3,-1.8 5,-1.3 29,-0.1 3,-0.2 0.685 131.4 6.0-124.1 -74.0 17.1 16.6 26.1 10 8 L E T > 5S+ 0 0 16 -4,-0.2 3,-2.6 3,-0.2 231,-0.0 0.917 126.4 66.5 -73.0 -36.3 16.9 15.6 29.7 11 9 L K T 3 - 0 0 1 -2,-0.3 4,-0.6 1,-0.1 -7,-0.0 -0.478 37.0-102.4 -82.4 165.7 23.6 17.4 24.0 17 14AL K T 4 S+ 0 0 175 1,-0.2 -1,-0.1 -2,-0.1 -2,-0.0 0.700 120.1 26.4 -62.0 -17.0 27.0 17.1 22.3 18 14BL T T >> S+ 0 0 45 2,-0.1 3,-3.8 3,-0.0 4,-1.0 0.604 85.5 97.0-122.0 -19.5 28.5 19.3 25.0 19 14CL E G >4 S+ 0 0 7 1,-0.3 3,-3.1 2,-0.2 4,-0.3 0.880 86.4 62.5 -23.2 -68.6 26.4 19.0 28.2 20 14DL R G 3X S+ 0 0 111 -4,-0.6 4,-0.9 1,-0.3 -1,-0.3 0.508 88.3 63.7 -36.4 -27.4 29.2 16.6 29.1 21 14EL E G <4 S+ 0 0 43 -3,-3.8 -1,-0.3 1,-0.2 142,-0.2 0.930 104.4 55.0 -64.6 -45.4 32.0 19.2 29.0 22 14FL L T XX S+ 0 0 1 -3,-3.1 4,-0.8 -4,-1.0 3,-0.7 0.770 105.9 42.6 -60.5 -46.9 30.0 20.7 31.9 23 14GL L T 34 S+ 0 0 47 -4,-0.3 4,-0.3 1,-0.2 -1,-0.2 0.699 108.9 63.1 -79.8 -9.3 29.7 17.8 34.4 24 14HL E T 3< S+ 0 0 140 -4,-0.9 -1,-0.2 1,-0.2 -2,-0.2 0.544 94.8 62.5 -85.7 -3.6 33.4 17.0 33.7 25 14IL S T <4 S+ 0 0 21 -3,-0.7 -1,-0.2 1,-0.1 -2,-0.2 0.905 97.4 52.5 -78.9 -55.6 34.3 20.4 35.1 26 14JL Y < 0 0 25 -4,-0.8 -2,-0.2 1,-0.1 -1,-0.1 0.588 360.0 360.0 -54.9 -15.3 32.9 19.6 38.6 27 14KL I 0 0 182 -4,-0.3 -3,-0.2 0, 0.0 -2,-0.1 0.995 360.0 360.0 68.4 360.0 35.2 16.5 38.3 28 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 29 16 H I 0 0 3 0, 0.0 2,-0.6 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 147.2 28.7 34.6 20.7 30 17 H V B -A 222 0A 7 192,-4.2 192,-1.6 1,-0.2 142,-0.1 -0.828 360.0 -10.5-109.2 120.3 32.5 34.6 20.3 31 18 H E S S+ 0 0 136 -2,-0.6 -1,-0.2 141,-0.3 189,-0.2 0.671 107.6 115.6 72.4 36.1 34.3 31.4 19.4 32 19 H G - 0 0 30 -3,-0.4 154,-0.2 190,-0.1 -1,-0.2 -0.190 53.5-121.1-110.9-165.1 31.2 29.2 20.0 33 20 H S E -B 185 0B 62 152,-3.3 152,-1.2 1,-0.1 2,-0.1 -0.601 35.3 -61.6-131.6-170.1 28.9 27.0 18.0 34 21 H D E -B 184 0B 100 150,-0.2 2,-0.3 -2,-0.2 150,-0.2 -0.440 44.7-125.9 -75.3 147.1 25.4 26.3 16.8 35 22 H A - 0 0 5 148,-1.3 2,-0.4 -2,-0.1 3,-0.1 -0.611 26.6-128.0 -84.3 147.9 22.7 25.5 19.4 36 23 H E > - 0 0 61 -2,-0.3 3,-1.9 1,-0.1 4,-0.3 -0.771 45.2 -75.1 -97.8 149.7 21.0 22.3 18.5 37 24 H I T 3 S+ 0 0 88 -2,-0.4 -1,-0.1 1,-0.3 57,-0.1 -0.211 120.8 10.6 -43.8 140.6 17.2 22.5 18.4 38 25 H G T 3 S+ 0 0 11 1,-0.1 -30,-0.3 2,-0.1 -1,-0.3 0.654 83.4 127.5 59.2 29.0 15.9 22.7 21.9 39 26 H M S < S+ 0 0 5 -3,-1.9 -2,-0.1 1,-0.3 -1,-0.1 0.724 86.2 21.2 -77.1 -27.0 19.3 23.3 23.7 40 27 H S > + 0 0 14 -4,-0.3 3,-0.6 102,-0.1 -1,-0.3 -0.375 59.3 168.8-145.2 71.5 17.8 26.3 25.4 41 28 H P T 3 S+ 0 0 1 0, 0.0 103,-2.5 0, 0.0 99,-0.1 0.429 84.5 56.6 -56.7 -16.3 14.0 26.4 25.7 42 29 H W T 3 S+ 0 0 1 101,-0.2 18,-3.0 103,-0.1 20,-0.1 0.850 78.8 105.9 -80.7 -50.1 14.5 29.3 28.1 43 30 H Q E < -G 59 0C 3 -3,-0.6 49,-0.8 16,-0.3 50,-0.3 -0.097 48.9-179.5 -39.9 123.3 16.5 31.6 25.8 44 31 H V E -GH 58 91C 0 14,-2.8 14,-3.0 47,-0.2 2,-0.4 -0.938 20.5-133.9-131.5 145.4 14.4 34.5 24.6 45 32 H M E -GH 57 90C 2 45,-2.0 45,-2.5 -2,-0.3 2,-0.4 -0.906 8.1-149.1-117.1 135.8 15.3 37.3 22.2 46 33 H L E -GH 56 89C 0 10,-3.3 9,-2.0 -2,-0.4 10,-1.3 -0.884 25.2-172.7 -90.3 135.2 14.4 40.9 23.0 47 34 H F E -G 54 0C 27 41,-2.9 41,-0.4 -2,-0.4 7,-0.3 -0.931 24.8-115.3-155.2 124.0 13.8 42.8 19.7 48 35 H R E > -G 53 0C 59 5,-1.0 5,-0.6 -2,-0.4 39,-0.2 -0.123 13.2-153.1 -44.3 138.2 13.2 46.4 18.8 49 36 H K E > 5S+G 52 0C 102 37,-2.5 3,-0.8 1,-0.3 -1,-0.1 0.970 80.2 41.5 -70.6 -66.7 9.8 47.1 17.2 50 36AH S T 3 5S+ 0 0 107 1,-0.5 -1,-0.3 36,-0.4 2,-0.1 -0.974 122.3 27.4-137.3 121.0 11.1 50.2 15.3 51 37 H P T 3 5S- 0 0 73 0, 0.0 -1,-0.5 0, 0.0 2,-0.4 0.235 108.6-130.3 -67.2 116.2 13.6 50.2 13.9 52 38 H Q E < 5 +G 49 0C 149 -3,-0.8 2,-0.3 -5,-0.1 -3,-0.2 -0.065 58.7 128.8 -40.2 89.0 12.7 46.4 13.9 53 39 H E E < -G 48 0C 95 -5,-0.6 -5,-1.0 -2,-0.4 2,-0.3 -0.867 64.2 -95.0-140.7 173.0 16.0 45.0 15.2 54 40 H L E +G 47 0C 44 -7,-0.3 -7,-0.3 -2,-0.3 3,-0.1 -0.814 34.4 175.5 -89.2 141.5 17.3 42.6 17.9 55 41 H L E - 0 0 22 -9,-2.0 2,-0.3 1,-0.4 -8,-0.2 0.628 54.4 -46.8-111.6 -38.5 18.4 44.4 21.0 56 42 H b E -G 46 0C 2 -10,-1.3 -10,-3.3 171,-0.1 -1,-0.4 -0.929 54.7 -80.3-165.7-167.6 19.3 41.5 23.4 57 43 H G E -G 45 0C 3 171,-2.6 12,-0.4 -2,-0.3 2,-0.3 -0.743 30.2-179.2-117.2 157.6 18.6 38.2 25.0 58 44 H A E -G 44 0C 0 -14,-3.0 -14,-2.8 -2,-0.3 2,-0.4 -0.892 20.2-137.3-143.5 167.1 16.4 37.2 27.9 59 45 H S E -GI 43 67C 0 8,-1.7 8,-2.7 -2,-0.3 2,-0.5 -0.999 20.8-130.8-130.6 126.9 15.7 33.9 29.5 60 46 H L E - I 0 66C 0 -18,-3.0 86,-1.4 -2,-0.4 6,-0.2 -0.693 18.0-172.5 -87.2 133.1 12.2 33.1 30.4 61 47 H I - 0 0 21 4,-1.8 2,-0.3 -2,-0.5 5,-0.2 0.390 69.3 -8.0-104.5 5.6 12.0 31.9 33.9 62 48 H S S S- 0 0 29 3,-0.8 -1,-0.3 -20,-0.1 75,-0.1 -0.931 88.7 -71.0 171.4 163.0 8.3 31.1 33.5 63 49 H D S S+ 0 0 44 -2,-0.3 74,-4.2 1,-0.2 3,-0.1 0.546 128.5 16.4 -43.6 -8.6 5.1 31.2 31.4 64 50 H R S S+ 0 0 30 72,-0.2 69,-2.2 1,-0.2 2,-0.4 0.760 109.6 65.0-137.2 -41.3 5.0 35.0 32.2 65 51 H W E - J 0 132C 0 67,-0.2 -4,-1.8 217,-0.2 -3,-0.8 -0.765 55.6-162.4 -91.6 145.8 8.2 36.7 33.6 66 52 H V E -IJ 60 131C 0 65,-2.5 65,-0.8 -2,-0.4 2,-0.5 -0.917 12.9-138.7-125.0 142.2 11.5 37.1 31.6 67 53 H L E +IJ 59 130C 0 -8,-2.7 -8,-1.7 -2,-0.3 2,-0.3 -0.893 35.3 154.9-102.5 113.2 15.0 37.9 33.0 68 54 H T E - J 0 129C 0 61,-2.0 61,-2.1 -2,-0.5 2,-0.2 -0.786 46.3-102.4-128.0 175.6 17.0 40.4 30.8 69 55 H A - 0 0 0 -12,-0.4 3,-0.2 -2,-0.3 59,-0.2 -0.572 27.9-131.0 -94.7 164.1 19.8 42.8 31.8 70 56 H A S >> S+ 0 0 0 -2,-0.2 3,-4.1 1,-0.2 4,-3.3 0.813 98.9 72.8 -85.0 -46.6 18.8 46.5 32.3 71 57 H H T 34 S+ 0 0 1 1,-0.3 -1,-0.2 2,-0.2 9,-0.1 0.506 91.1 65.7 -46.7 -3.5 21.5 48.1 30.2 72 58 H b T 34 S+ 0 0 0 -3,-0.2 -1,-0.3 2,-0.1 -2,-0.2 0.675 117.0 24.0 -92.0 -25.3 19.4 46.6 27.3 73 59 H L T <4 S+ 0 0 2 -3,-4.1 9,-2.2 1,-0.3 2,-0.4 0.698 133.0 34.4-111.4 -31.0 16.5 48.9 28.2 74 60 H L E < +M 81 0D 41 -4,-3.3 7,-0.3 7,-0.2 -1,-0.3 -0.904 51.7 137.8-135.8 98.5 18.4 51.7 30.0 75 60AH Y E > > -M 80 0D 20 5,-2.5 5,-2.4 -2,-0.4 3,-1.9 -0.700 24.9-172.7-128.3 90.2 21.9 53.1 29.3 76 60BH P G > 5S+ 0 0 47 0, 0.0 3,-0.8 0, 0.0 -1,-0.1 0.779 78.7 68.4 -53.0 -33.4 21.4 56.8 29.6 77 60CH P G 3 5S+ 0 0 62 0, 0.0 -3,-0.0 0, 0.0 44,-0.0 0.334 115.6 25.9 -70.2 10.5 25.0 57.4 28.3 78 60DH W G < 5S- 0 0 148 -3,-1.9 3,-0.1 2,-0.1 -4,-0.0 0.215 118.8-101.2-151.9 3.7 24.0 56.1 24.8 79 60EH D T < 5 + 0 0 150 -3,-0.8 2,-0.9 -4,-0.4 0, 0.0 0.556 63.8 159.1 78.9 20.6 20.4 56.9 25.0 80 60FH K E < +M 75 0D 32 -5,-2.4 -5,-2.5 1,-0.1 -1,-0.2 -0.574 15.5 134.5 -69.8 108.3 19.3 53.4 25.7 81 60GH N E +M 74 0D 100 -2,-0.9 -7,-0.2 -7,-0.3 2,-0.1 -0.379 24.8 168.6-159.2 80.6 15.8 53.9 27.2 82 60HH F - 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