==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SERINE PROTEASE 23-AUG-94 2HNT . COMPND 2 MOLECULE: GAMMA-THROMBIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.TULINSKY . 262 4 4 3 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12263.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 150 57.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 63 24.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.8 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 0.8 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 . 15 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 22 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 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 1 1 0 0 0 0 1 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 . 6 7 0 3 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 ANTIPARALLEL BRIDGES PER LADDER . 0 1 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 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 0 131 0, 0.0 140,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -13.2 12.5 -10.7 -1.7 2 1AL D > + 0 0 77 138,-0.1 3,-0.9 3,-0.0 2,-0.1 -0.080 360.0 146.1-124.8 22.0 9.9 -11.3 1.1 3 1 L a T 3 + 0 0 29 1,-0.2 137,-0.2 137,-0.1 3,-0.1 -0.449 60.6 11.2 -63.9 130.3 11.5 -8.3 2.9 4 2 L G T 3 S+ 0 0 0 135,-0.9 224,-1.5 1,-0.3 2,-0.4 0.261 91.3 115.1 88.4 -9.3 9.2 -6.1 5.0 5 3 L L < - 0 0 34 -3,-0.9 -1,-0.3 222,-0.2 222,-0.1 -0.784 58.9-140.0 -88.1 145.1 6.1 -8.2 5.0 6 4 L R > > - 0 0 0 -2,-0.4 3,-4.3 1,-0.2 5,-1.7 -0.876 8.0-145.9-130.0 112.8 5.2 -9.4 8.4 7 5 L P T 3 5S+ 0 0 23 0, 0.0 5,-0.3 0, 0.0 -1,-0.2 0.856 102.3 45.6 -35.0 -48.0 3.9 -12.9 9.1 8 6 L L T 3 5S+ 0 0 36 127,-0.3 32,-0.1 31,-0.2 7,-0.1 0.364 133.7 8.3 -86.7 13.7 1.6 -11.7 12.0 9 7 L F T < >S+ 0 0 11 -3,-4.3 5,-2.7 30,-0.1 3,-0.1 0.337 126.1 37.8-146.3 -71.7 0.3 -8.7 10.0 10 8 L E T > 5S+ 0 0 26 3,-0.2 3,-0.6 1,-0.2 -2,-0.1 0.759 121.1 48.1 -67.0 -23.9 0.9 -8.0 6.3 11 9 L K T 3 - 0 0 6 -2,-0.3 3,-0.6 1,-0.1 4,-0.5 -0.404 35.7-103.3 -93.5 163.2 -1.3 -2.6 13.8 17 14AL K T 3 S+ 0 0 137 1,-0.2 -1,-0.1 -2,-0.1 -2,-0.0 0.430 114.8 23.1 -56.1 -9.2 -2.8 0.0 16.1 18 14BL T T 3> S+ 0 0 38 2,-0.1 4,-0.7 3,-0.0 3,-0.3 0.250 90.8 96.6-146.6 8.5 -0.6 3.0 14.8 19 14CL E H <> S+ 0 0 11 -3,-0.6 4,-1.4 1,-0.2 3,-0.2 0.688 78.2 64.7 -74.6 -19.9 0.4 2.0 11.4 20 14DL R H > S+ 0 0 142 -4,-0.5 4,-2.9 1,-0.2 5,-0.2 0.889 96.2 61.0 -69.7 -28.1 -2.5 4.1 9.9 21 14EL E H > S+ 0 0 43 -3,-0.3 4,-1.2 1,-0.3 136,-0.3 0.764 102.7 48.1 -63.9 -36.7 -0.7 7.1 11.4 22 14FL L H < S+ 0 0 0 -4,-0.7 135,-0.3 -3,-0.2 4,-0.3 0.949 114.8 46.6 -69.5 -44.1 2.4 6.5 9.3 23 14GL L H >< S+ 0 0 45 -4,-1.4 3,-1.4 1,-0.2 -2,-0.2 0.852 107.5 53.6 -72.8 -38.4 0.2 6.1 6.1 24 14HL E H 3< S+ 0 0 117 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.794 103.6 60.4 -60.7 -36.3 -2.0 9.2 6.7 25 14IL S T 3< S+ 0 0 32 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.600 96.3 75.2 -68.5 -13.3 1.1 11.3 7.0 26 14JL Y < - 0 0 14 -3,-1.4 125,-0.1 -4,-0.3 124,-0.0 -0.289 55.1-160.9 -98.9-175.8 2.5 10.6 3.5 27 14KL I 0 0 130 1,-0.3 -1,-0.1 123,-0.3 124,-0.1 -0.015 360.0 360.0-141.3 4.2 1.6 11.6 -0.1 28 14LL D 0 0 88 122,-0.1 -1,-0.3 123,-0.1 194,-0.0 -0.272 360.0 360.0 53.6 360.0 3.3 8.8 -2.1 29 !* 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 30 16 C I > 0 0 23 0, 0.0 3,-0.7 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 127.7 12.0 4.9 24.2 31 17 C V B 3 -A 208 0A 31 177,-3.9 177,-2.9 1,-0.2 210,-0.1 -0.570 360.0 -16.0 -81.0 127.5 10.9 8.3 25.4 32 18 C E T 3 S+ 0 0 125 -2,-0.3 -1,-0.2 175,-0.3 174,-0.1 0.499 102.5 122.4 48.8 39.6 7.1 8.6 25.6 33 19 C G < - 0 0 30 -3,-0.7 2,-0.3 175,-0.2 139,-0.2 0.146 53.4-112.4 -97.8-158.3 6.1 5.6 23.4 34 20 C S E -B 171 0B 34 137,-2.0 137,-5.7 -2,-0.0 2,-0.2 -0.925 35.3 -85.9-140.7 162.0 4.0 2.5 23.9 35 21 C D E -B 170 0B 81 135,-0.3 135,-0.3 -2,-0.3 134,-0.1 -0.555 47.3-124.9 -70.5 132.6 4.6 -1.3 24.0 36 22 C A - 0 0 16 133,-1.9 2,-0.4 -2,-0.2 -1,-0.1 0.118 21.3-110.9 -67.2-173.8 4.6 -3.0 20.6 37 23 C E > - 0 0 64 1,-0.0 3,-2.2 0, 0.0 4,-0.3 -0.959 44.6 -84.3-122.8 144.2 2.4 -5.9 19.6 38 24 C I T 3 S+ 0 0 112 -2,-0.4 98,-0.0 1,-0.3 57,-0.0 -0.165 115.7 17.2 -47.7 124.1 3.7 -9.4 19.0 39 25 C G T 3 S+ 0 0 6 2,-0.1 -1,-0.3 97,-0.1 -31,-0.2 -0.101 94.1 110.7 103.1 -30.7 5.0 -9.8 15.4 40 26 C M S < S+ 0 0 9 -3,-2.2 -2,-0.1 1,-0.2 -24,-0.1 0.639 83.1 28.7 -44.0 -42.3 5.2 -6.0 14.8 41 27 C S > + 0 0 17 -4,-0.3 3,-0.6 1,-0.1 -1,-0.2 -0.683 66.0 159.6-133.4 75.5 9.0 -5.5 14.7 42 28 C P T 3 S+ 0 0 2 0, 0.0 96,-1.3 0, 0.0 51,-0.3 0.485 72.1 61.0 -80.2 -12.4 10.5 -8.8 13.4 43 29 C W T 3 S+ 0 0 2 94,-0.2 18,-2.7 96,-0.1 2,-0.5 0.582 76.6 129.9 -88.8 -7.9 13.8 -7.3 12.3 44 30 C Q E < +J 60 0C 5 -3,-0.6 50,-0.5 16,-0.2 2,-0.4 -0.209 33.8 176.6 -60.4 109.1 14.3 -6.3 15.9 45 31 C V E -J 59 0C 0 14,-1.6 14,-1.3 -2,-0.5 2,-0.5 -0.906 19.0-147.9-118.1 133.8 17.7 -7.5 17.0 46 32 C M E -N 91 0D 7 45,-1.1 45,-1.5 -2,-0.4 2,-0.5 -0.970 8.0-144.5-106.2 106.2 19.3 -6.8 20.4 47 33 C L E +N 90 0D 2 -2,-0.5 9,-1.5 10,-0.2 10,-1.5 -0.678 31.6 173.6 -71.9 126.2 23.2 -6.4 20.7 48 34 C F - 0 0 19 41,-1.8 41,-0.4 -2,-0.5 7,-0.2 -0.645 32.3-132.5-124.6 176.9 24.2 -8.0 24.1 49 35 C R - 0 0 83 -2,-0.2 4,-0.2 39,-0.2 -1,-0.1 0.842 14.1-159.0-106.1 -48.7 27.6 -8.6 25.8 50 36 C K + 0 0 89 38,-0.1 3,-0.3 39,-0.0 -2,-0.0 0.989 65.8 94.5 65.1 55.9 27.7 -12.2 27.1 51 36AC S S S- 0 0 84 1,-1.8 2,-0.2 0, 0.0 37,-0.0 0.408 122.5 -18.8 178.2 42.1 30.5 -11.7 29.6 52 37 C P S S- 0 0 113 0, 0.0 -1,-1.8 0, 0.0 2,-0.3 0.519 108.5 -92.1 -67.3-171.9 28.5 -11.2 32.1 53 38 C Q + 0 0 131 -3,-0.3 2,-0.2 -2,-0.2 -5,-0.0 -0.590 57.2 151.5 -79.8 128.7 25.2 -10.3 30.3 54 39 C E - 0 0 91 -2,-0.3 2,-0.4 0, 0.0 -5,-0.1 -0.810 40.6-130.1-161.9 112.7 24.4 -6.6 29.6 55 40 C L + 0 0 48 -2,-0.2 -7,-0.3 -7,-0.2 3,-0.1 -0.630 32.3 169.9 -61.6 123.1 22.2 -5.2 26.7 56 41 C L - 0 0 14 -9,-1.5 156,-0.3 -2,-0.4 2,-0.3 0.581 52.4 -13.6-100.9 -48.7 24.2 -2.5 25.0 57 42 C b - 0 0 7 -10,-1.5 2,-0.2 155,-0.2 -10,-0.2 -0.811 57.9-114.7-142.6-166.4 22.4 -1.5 21.8 58 43 C G + 0 0 7 156,-2.3 12,-0.3 -2,-0.3 2,-0.3 -0.604 31.6 163.0-132.0-179.2 19.7 -2.4 19.3 59 44 C A E -J 45 0C 1 -14,-1.3 -14,-1.6 -2,-0.2 2,-0.3 -0.886 25.8-110.2 179.7-175.0 19.9 -3.4 15.6 60 45 C S E -JK 44 68C 0 8,-2.1 8,-2.0 -2,-0.3 2,-0.5 -0.994 18.0-117.7-145.8 152.1 18.0 -5.0 12.9 61 46 C L E + K 0 67C 0 -18,-2.7 79,-0.6 -2,-0.3 6,-0.2 -0.652 30.4 169.0 -82.9 111.9 17.9 -8.2 10.7 62 47 C I S S- 0 0 22 4,-1.4 2,-0.2 -2,-0.5 -1,-0.2 0.243 74.7 -10.7-103.0 -7.2 18.4 -7.1 7.1 63 48 C S S S- 0 0 30 3,-0.9 3,-0.3 -20,-0.1 68,-0.1 -0.944 82.5 -84.7-168.7-172.5 18.9 -10.8 6.2 64 49 C D S S+ 0 0 67 -2,-0.2 67,-1.8 1,-0.2 65,-0.1 0.723 129.9 27.9 -87.9 -19.1 19.4 -14.3 7.6 65 50 C R S S+ 0 0 72 65,-0.2 2,-0.3 61,-0.1 -1,-0.2 -0.153 111.9 76.4-131.0 36.4 23.1 -13.6 7.9 66 51 C W - 0 0 19 -3,-0.3 -4,-1.4 60,-0.2 -3,-0.9 -0.963 48.9-170.7-151.1 133.9 23.3 -9.8 8.3 67 52 C V E -K 61 0C 0 58,-0.4 58,-1.1 -2,-0.3 2,-0.5 -0.840 13.1-149.2-124.4 141.0 22.7 -7.4 11.1 68 53 C L E +KL 60 124C 1 -8,-2.0 -8,-2.1 -2,-0.3 2,-0.3 -0.996 30.7 152.9-114.2 130.5 22.6 -3.6 10.7 69 54 C T E - L 0 123C 0 54,-2.0 54,-2.9 -2,-0.5 2,-0.5 -0.960 48.6 -81.4-148.9 171.8 23.6 -1.4 13.6 70 55 C A > - 0 0 0 -12,-0.3 3,-1.7 -2,-0.3 52,-0.4 -0.765 34.2-138.1 -78.0 125.2 25.1 1.9 14.7 71 56 C A G >> S+ 0 0 0 -2,-0.5 4,-2.4 1,-0.3 3,-2.1 0.792 101.6 63.6 -51.9 -39.7 28.9 1.9 14.4 72 57 C H G 34 S+ 0 0 26 1,-0.3 -1,-0.3 2,-0.2 4,-0.1 0.295 91.6 66.1 -70.7 4.1 29.2 3.7 17.8 73 58 C b G <4 S+ 0 0 2 -3,-1.7 -1,-0.3 2,-0.1 -2,-0.2 0.648 109.9 34.1 -97.1 -24.4 27.7 0.6 19.4 74 59 C L T <4 S+ 0 0 1 -3,-2.1 9,-3.1 1,-0.2 2,-0.3 0.685 133.7 17.2 -94.0 -41.9 30.6 -1.6 18.6 75 60 C L B < +P 82 0E 44 -4,-2.4 7,-0.2 7,-0.2 -1,-0.2 -0.828 55.9 143.7-145.1 104.7 33.3 1.1 18.9 76 60AC Y > - 0 0 83 5,-0.8 3,-2.4 -2,-0.3 4,-0.2 -0.789 20.3-173.2-135.9 92.8 33.4 4.6 20.5 77 60BC P G > S+ 0 0 57 0, 0.0 3,-3.1 0, 0.0 -1,-0.1 0.867 78.6 74.1 -55.2 -40.5 36.8 5.1 22.0 78 60CC P G 3 S+ 0 0 69 0, 0.0 37,-0.0 0, 0.0 -2,-0.0 0.673 111.5 29.5 -46.3 -22.3 35.7 8.3 23.7 79 60DC W G < S- 0 0 157 -3,-2.4 -4,-0.0 2,-0.1 0, 0.0 0.241 123.1 -96.1-123.9 10.5 33.8 6.1 26.1 80 60EC D S < S+ 0 0 147 -3,-3.1 2,-0.3 -4,-0.2 -5,-0.0 0.983 72.0 145.3 67.8 85.8 36.1 2.9 26.1 81 60FC K + 0 0 39 2,-0.0 -5,-0.8 1,-0.0 -1,-0.2 -0.835 6.4 138.1-162.9 98.0 34.2 0.8 23.6 82 60GC N B +P 75 0E 116 -2,-0.3 -7,-0.2 -7,-0.2 2,-0.1 -0.433 26.4 177.7-142.4 64.7 36.0 -1.5 21.3 83 60HC F - 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