==== 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 1HAP . COMPND 2 MOLECULE: 5'-D(*GP*GP*TP*TP*GP*GP*TP*GP*TP*GP*GP*TP*TP*GP*G . SOURCE 2 SYNTHETIC: YES; . AUTHOR K.PADMANABHAN,A.TULINSKY . 281 4 4 3 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12459.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 172 61.2 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 . 25 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 28 10.0 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 2 0 1 0 0 0 1 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 . 3 5 1 2 2 3 0 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 0 132 0, 0.0 2,-0.7 0, 0.0 146,-0.0 0.000 360.0 360.0 360.0 -82.3 8.1 23.4 39.3 2 1AL D + 0 0 55 144,-0.0 3,-0.3 239,-0.0 2,-0.1 -0.590 360.0 157.9-104.1 62.2 9.5 21.6 36.3 3 1 L a + 0 0 29 -2,-0.7 143,-0.2 1,-0.2 144,-0.1 -0.215 52.9 10.9 -76.3 177.7 12.1 24.2 35.6 4 2 L G S S+ 0 0 0 141,-1.1 238,-2.1 237,-0.1 2,-0.3 0.454 87.4 115.1 12.3 56.4 15.3 23.6 33.6 5 3 L L - 0 0 34 140,-0.3 236,-0.1 -3,-0.3 -1,-0.1 -0.956 61.7-132.1-143.8 112.8 14.7 20.1 32.2 6 4 L R > > - 0 0 0 -2,-0.3 5,-3.4 1,-0.1 3,-0.9 -0.544 3.2-140.9 -88.3 135.6 14.4 20.1 28.4 7 5 L P T 3 5S+ 0 0 21 0, 0.0 -1,-0.1 0, 0.0 134,-0.1 0.484 106.3 33.0 -63.4 -5.0 11.5 18.3 26.6 8 6 L L T 3 5S+ 0 0 37 30,-0.3 134,-0.1 133,-0.2 31,-0.0 0.317 130.4 30.1-129.4 -3.1 13.9 17.1 23.9 9 7 L F T < >S+ 0 0 14 -3,-0.9 5,-1.8 29,-0.1 3,-0.3 0.676 132.7 14.2-122.4 -75.0 17.1 16.6 25.9 10 8 L E T > 5S+ 0 0 17 3,-0.2 3,-2.6 1,-0.2 231,-0.0 0.972 124.1 61.5 -60.7 -56.0 16.7 15.7 29.5 11 9 L K T 3 - 0 0 2 -2,-0.4 4,-0.7 1,-0.1 -1,-0.0 -0.166 33.2-108.0 -69.0 155.4 23.8 17.4 24.1 17 14AL K T 4 S+ 0 0 175 1,-0.2 -1,-0.1 2,-0.1 -2,-0.0 0.522 120.4 29.7 -60.7 -4.8 27.1 17.1 22.3 18 14BL T T >> S+ 0 0 39 2,-0.1 3,-3.0 3,-0.0 4,-1.0 0.599 87.9 92.4-133.3 -19.4 28.4 19.5 25.0 19 14CL E H >> S+ 0 0 7 1,-0.3 3,-1.2 2,-0.2 4,-1.0 0.882 85.8 61.8 -32.7 -59.0 26.5 18.9 28.2 20 14DL R H 3X S+ 0 0 115 -4,-0.7 4,-1.2 1,-0.3 -1,-0.3 0.708 92.2 63.0 -46.3 -31.7 29.2 16.4 29.1 21 14EL E H <4 S+ 0 0 49 -3,-3.0 -1,-0.3 1,-0.2 -2,-0.2 0.948 104.0 52.4 -59.8 -48.6 31.9 19.1 29.1 22 14FL L H XX S+ 0 0 1 -3,-1.2 4,-1.0 -4,-1.0 3,-0.6 0.747 107.6 44.6 -60.1 -40.5 29.9 20.7 31.9 23 14GL L H 3< S+ 0 0 45 -4,-1.0 -1,-0.2 1,-0.2 -2,-0.2 0.759 108.1 61.4 -85.3 -3.7 29.6 17.8 34.3 24 14HL E T 3< S+ 0 0 141 -4,-1.2 -1,-0.2 3,-0.2 -2,-0.2 0.569 97.7 61.1 -88.7 -5.2 33.4 17.0 33.7 25 14IL S T <4 S+ 0 0 13 -3,-0.6 -1,-0.2 -4,-0.2 -2,-0.2 0.915 95.5 54.1 -77.1 -61.7 34.1 20.4 35.1 26 14JL Y < 0 0 25 -4,-1.0 -2,-0.2 137,-0.1 -1,-0.2 0.531 360.0 360.0 -49.6 -9.1 32.6 19.8 38.5 27 14KL I 0 0 176 -4,-0.1 -3,-0.2 0, 0.0 -2,-0.1 0.860 360.0 360.0 51.8 360.0 35.2 16.9 38.2 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 2 0, 0.0 2,-0.6 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 141.6 28.9 34.5 20.9 30 17 H V B -A 222 0A 6 192,-4.6 192,-1.3 1,-0.2 143,-0.1 -0.868 360.0 -7.2-107.9 127.2 32.6 34.5 20.2 31 18 H E S S+ 0 0 134 -2,-0.6 189,-0.2 141,-0.4 -1,-0.2 0.758 108.5 107.3 62.2 46.7 34.5 31.3 19.2 32 19 H G - 0 0 38 -3,-0.4 2,-0.3 190,-0.1 154,-0.2 -0.092 56.5-109.4-121.5-153.8 31.4 29.0 19.8 33 20 H S E -B 185 0B 58 152,-2.5 152,-1.6 -2,-0.1 -1,-0.0 -0.863 33.3 -67.3-141.3-177.7 28.8 27.0 17.9 34 21 H D E -B 184 0B 100 -2,-0.3 150,-0.2 150,-0.2 2,-0.2 -0.348 48.6-122.5 -69.5 147.3 25.3 26.5 16.6 35 22 H A - 0 0 6 148,-1.9 2,-0.3 59,-0.1 148,-0.1 -0.521 25.6-125.7 -84.1 148.2 22.8 25.6 19.3 36 23 H E > - 0 0 62 -2,-0.2 3,-1.5 1,-0.1 4,-0.2 -0.729 46.2 -76.7 -94.0 158.9 21.2 22.3 18.5 37 24 H I T 3 S+ 0 0 81 -2,-0.3 -1,-0.1 1,-0.3 57,-0.1 -0.296 118.1 11.4 -57.9 149.4 17.4 22.5 18.5 38 25 H G T 3 S+ 0 0 11 2,-0.1 -30,-0.3 104,-0.1 -1,-0.3 0.730 84.8 131.1 55.9 30.4 15.8 22.7 21.9 39 26 H M S < S+ 0 0 7 -3,-1.5 -2,-0.1 1,-0.3 -1,-0.1 0.573 83.2 19.4 -81.5 -15.3 19.2 23.3 23.6 40 27 H S + 0 0 15 -4,-0.2 -1,-0.3 102,-0.1 52,-0.2 -0.550 59.7 173.4-158.3 79.0 17.7 26.2 25.5 41 28 H P S S+ 0 0 0 0, 0.0 103,-1.7 0, 0.0 51,-0.1 0.592 86.9 55.6 -59.3 -21.5 13.9 26.2 25.8 42 29 H W S S+ 0 0 0 101,-0.2 18,-2.6 103,-0.1 20,-0.1 0.896 77.4 107.1 -77.0 -51.0 14.5 29.2 28.1 43 30 H Q E -G 59 0C 4 16,-0.2 49,-0.9 -3,-0.2 2,-0.3 -0.063 50.2-173.2 -41.8 128.5 16.5 31.5 25.8 44 31 H V E -GH 58 91C 0 14,-3.6 14,-3.6 47,-0.2 2,-0.5 -0.948 19.2-140.3-130.4 143.9 14.4 34.4 24.7 45 32 H M E -GH 57 90C 2 45,-2.3 45,-2.9 -2,-0.3 2,-0.4 -0.986 12.1-169.0-114.8 121.7 15.1 37.1 22.2 46 33 H L E +GH 56 89C 0 10,-2.2 10,-1.9 -2,-0.5 9,-1.4 -0.869 22.5 167.0-103.2 127.3 14.0 40.6 23.1 47 34 H F E -GH 54 88C 21 41,-2.7 41,-0.9 -2,-0.4 7,-0.3 -0.990 33.1 -82.9-164.0 141.9 14.2 42.9 20.0 48 35 H R E > -GH 53 87C 57 5,-1.7 5,-0.7 -2,-0.3 39,-0.2 -0.120 14.5-154.5 -51.5 145.5 13.1 46.3 18.8 49 36 H K T 5S+ 0 0 93 37,-2.3 3,-0.3 1,-0.3 38,-0.1 0.984 81.9 48.2 -78.4 -70.7 9.9 47.4 17.2 50 36AH S T 5S+ 0 0 111 1,-0.4 -1,-0.3 36,-0.3 2,-0.1 -0.955 122.1 23.6-129.7 121.0 11.1 50.4 15.3 51 37 H P T 5S- 0 0 70 0, 0.0 2,-1.1 0, 0.0 -1,-0.4 0.379 104.9-124.9 -69.2 143.5 13.5 49.9 13.7 52 38 H Q T 5 + 0 0 157 -3,-0.3 2,-0.3 -2,-0.1 -3,-0.2 -0.186 64.0 125.1 -61.2 91.2 12.7 46.2 13.7 53 39 H E E < -G 48 0C 87 -2,-1.1 -5,-1.7 -5,-0.7 2,-0.3 -0.918 62.5 -95.1-145.6 167.9 16.0 44.9 15.1 54 40 H L E +G 47 0C 46 -7,-0.3 -7,-0.3 -2,-0.3 3,-0.1 -0.751 33.8 166.0 -86.7 140.8 17.6 42.8 17.8 55 41 H L E - 0 0 23 -9,-1.4 2,-0.3 1,-0.3 -8,-0.2 0.610 58.2 -24.7-120.4 -37.7 18.8 44.4 21.1 56 42 H b E -G 46 0C 0 -10,-1.9 -10,-2.2 171,-0.1 -1,-0.3 -0.977 52.8 -97.0-159.7-179.9 19.3 41.5 23.5 57 43 H G E -G 45 0C 3 171,-2.1 12,-0.4 -2,-0.3 2,-0.3 -0.539 32.2-174.0-103.1 159.3 18.7 38.0 24.9 58 44 H A E -G 44 0C 0 -14,-3.6 -14,-3.6 -2,-0.2 2,-0.5 -0.973 19.4-131.7-149.4 153.7 16.3 37.1 27.8 59 45 H S E -GI 43 67C 0 8,-2.6 8,-3.2 -2,-0.3 2,-0.7 -0.990 15.2-134.8-118.9 130.3 15.6 34.1 29.6 60 46 H L E + I 0 66C 0 -18,-2.6 86,-1.4 -2,-0.5 6,-0.2 -0.658 25.5 176.0 -73.2 107.4 12.1 32.9 30.2 61 47 H I S S- 0 0 20 4,-1.4 2,-0.3 -2,-0.7 5,-0.2 0.521 70.3 -3.5-100.7 2.3 12.1 32.0 33.9 62 48 H S S S- 0 0 26 3,-1.1 -1,-0.4 -20,-0.1 3,-0.3 -0.897 90.7 -79.5 177.5 155.7 8.4 31.3 33.8 63 49 H D S S+ 0 0 42 -2,-0.3 74,-6.4 1,-0.3 3,-0.1 0.537 127.5 16.3 -39.9 -15.1 5.4 31.4 31.5 64 50 H R S S+ 0 0 47 72,-0.3 69,-3.1 1,-0.2 2,-0.4 0.585 109.9 75.6-134.8 -34.6 5.0 35.2 32.1 65 51 H W E - J 0 132C 0 -3,-0.3 -4,-1.4 67,-0.2 -3,-1.1 -0.820 55.4-166.0 -88.7 138.0 8.2 36.6 33.7 66 52 H V E -IJ 60 131C 0 65,-2.4 65,-1.0 -2,-0.4 2,-0.5 -0.991 11.2-143.9-128.5 131.4 11.4 37.2 31.6 67 53 H L E +IJ 59 130C 0 -8,-3.2 -8,-2.6 -2,-0.4 2,-0.3 -0.838 31.7 155.8 -95.6 120.3 14.9 37.9 33.0 68 54 H T E - J 0 129C 0 61,-2.8 61,-2.6 -2,-0.5 2,-0.3 -0.808 47.5 -99.5-137.6 170.3 17.0 40.4 31.1 69 55 H A - 0 0 0 -12,-0.4 3,-0.3 -2,-0.3 59,-0.2 -0.702 33.0-134.7 -84.6 143.4 20.0 42.7 31.8 70 56 H A S >> S+ 0 0 0 -2,-0.3 4,-2.7 1,-0.2 3,-2.3 0.757 96.5 73.4 -78.5 -38.9 18.7 46.3 32.3 71 57 H H T 34 S+ 0 0 0 1,-0.3 -1,-0.2 2,-0.3 9,-0.1 0.427 88.2 68.2 -54.5 -3.8 21.3 48.1 30.2 72 58 H b T 34 S+ 0 0 0 -3,-0.3 -1,-0.3 2,-0.1 -2,-0.2 0.779 114.9 25.8 -85.4 -31.9 19.3 46.6 27.3 73 59 H L T <4 S+ 0 0 5 -3,-2.3 9,-1.2 1,-0.2 2,-0.3 0.625 132.5 32.3-100.6 -29.9 16.5 48.9 28.3 74 60 H L E < +M 81 0D 46 -4,-2.7 -1,-0.2 7,-0.2 7,-0.2 -0.788 47.9 139.1-145.8 105.2 18.5 51.7 29.9 75 60AH Y E >>> -M 80 0D 21 5,-1.9 3,-2.0 -2,-0.3 5,-1.9 -0.796 24.3-170.9-134.6 94.9 21.8 53.1 29.3 76 60BH P T 345S+ 0 0 53 0, 0.0 3,-0.5 0, 0.0 -1,-0.1 0.777 80.7 70.1 -55.0 -30.7 21.4 56.9 29.6 77 60CH P T 345S+ 0 0 58 0, 0.0 -3,-0.0 0, 0.0 44,-0.0 0.331 115.3 22.5 -70.4 6.2 25.0 57.3 28.3 78 60DH W T <45S- 0 0 154 -3,-2.0 3,-0.1 2,-0.1 -4,-0.0 0.201 117.0-101.7-150.0 0.6 23.9 56.2 24.7 79 60EH D T <5 + 0 0 149 -4,-0.7 2,-0.8 -3,-0.5 0, 0.0 0.554 62.4 158.9 86.1 17.9 20.3 56.9 24.9 80 60FH K E < +M 75 0D 31 -5,-1.9 -5,-1.9 1,-0.1 -1,-0.3 -0.565 13.4 138.2 -68.4 111.4 19.1 53.4 25.5 81 60GH N E +M 74 0D 102 -2,-0.8 -7,-0.2 -7,-0.2 -8,-0.1 -0.375 24.2 172.0-157.2 75.1 15.6 53.9 27.1 82 60HH F - 0 0 22 -9,-1.2 2,-0.4 -10,-0.1 -9,-0.1 -0.056 15.9-146.1 -84.7 159.3 13.2 51.5 25.7 83 60IH T >> - 0 0 39 1,-0.1 3,-1.2 28,-0.0 4,-1.1 -0.990 36.0-101.7-135.6 145.9 9.8 50.9 26.9 84 61 H E T 34 S+ 0 0 45 -2,-0.4 25,-0.4 1,-0.3 3,-0.4 0.809 127.2 55.6 -29.4 -32.2 7.3 48.1 27.2 85 62 H N T 34 S+ 0 0 119 1,-0.2 -1,-0.3 23,-0.1 24,-0.1 0.950 107.3 41.2 -70.0 -51.8 6.1 49.9 24.1 86 63 H D T <4 S+ 0 0 73 -3,-1.2 -37,-2.3 -37,-0.1 -36,-0.3 0.340 105.9 77.1 -81.6 -7.1 9.2 49.9 21.8 87 64 H L E < -H 48 0C 1 -4,-1.1 2,-0.3 -3,-0.4 22,-0.3 -0.819 58.2-159.9-114.1 156.7 10.3 46.4 22.6 88 65 H L E -H 47 0C 31 -41,-0.9 -41,-2.7 -2,-0.3 2,-0.4 -0.986 9.1-145.9-136.7 138.2 9.2 42.9 21.6 89 66 H V E -HK 46 107C 0 18,-2.4 18,-3.7 -2,-0.3 2,-0.4 -0.884 14.7-174.7-108.0 135.3 9.7 39.5 23.2 90 67 H R E -HK 45 106C 16 -45,-2.9 -45,-2.3 -2,-0.4 3,-0.4 -0.916 5.9-166.7-138.2 111.6 10.1 36.4 21.1 91 68 H I E +HK 44 105C 0 14,-3.1 14,-4.5 -2,-0.4 -47,-0.2 -0.784 61.2 30.4 -97.9 136.0 10.3 33.0 22.7 92 69 H G S S+ 0 0 4 -49,-0.9 -1,-0.2 -2,-0.4 -48,-0.1 0.623 78.4 158.5 93.6 29.6 11.4 29.8 21.2 93 70 H K + 0 0 17 -3,-0.4 -1,-0.2 -50,-0.3 3,-0.1 -0.098 25.4 160.0 -85.8 179.3 13.8 30.9 18.6 94 71 H H + 0 0 37 1,-0.5 89,-1.4 4,-0.2 -1,-0.1 0.144 64.7 62.0-153.2 -75.0 16.7 29.3 16.8 95 72 H S B -N 182 0E 6 87,-0.2 -1,-0.5 1,-0.1 87,-0.3 -0.344 65.8-148.5 -70.2 141.1 17.5 31.3 13.6 96 73 H R S S+ 0 0 81 85,-3.8 85,-0.1 -3,-0.1 86,-0.1 0.993 92.2 33.7 -62.3 -60.8 18.6 34.9 14.1 97 74 H T S S+ 0 0 93 84,-0.2 -1,-0.1 2,-0.1 2,-0.1 0.843 103.9 61.6 -60.8 -66.3 17.0 36.1 10.8 98 75 H R S S- 0 0 158 83,-0.2 2,-1.0 1,-0.1 -4,-0.2 -0.369 81.9-113.1 -75.8 156.1 13.8 34.2 9.9 99 76 H Y - 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