==== 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 09-MAY-07 2PV9 . COMPND 2 MOLECULE: THROMBIN LIGHT CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR A.BAH,Z.CHEN,L.A.BUSH-PELC,F.S.MATHEWS,E.DI CERA . 327 3 4 3 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14952.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 197 60.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 78 23.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.9 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 . 29 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 28 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 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 1 1 0 0 0 0 0 0 1 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 0 4 4 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 . 1 0 2 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 1PA F 0 0 116 0, 0.0 2,-0.2 0, 0.0 14,-0.1 0.000 360.0 360.0 360.0-161.6 -21.6 -37.5 30.3 2 1OA H - 0 0 67 12,-0.2 2,-0.2 0, 0.0 12,-0.0 -0.735 360.0-136.0-155.7 103.2 -23.9 -39.8 28.3 3 1NA T + 0 0 99 -2,-0.2 12,-0.0 1,-0.2 11,-0.0 -0.360 29.7 168.3 -56.5 116.5 -22.9 -42.2 25.5 4 1MA F + 0 0 101 -2,-0.2 -1,-0.2 2,-0.0 2,-0.1 0.831 56.0 54.1 -99.5 -42.9 -25.4 -41.7 22.7 5 1LA F S S- 0 0 11 6,-0.1 2,-0.8 1,-0.1 290,-0.0 -0.401 91.9 -97.6 -91.9 167.6 -23.8 -43.6 19.8 6 1KA N >> - 0 0 101 1,-0.1 3,-3.0 -2,-0.1 4,-2.5 -0.788 28.0-134.7 -92.2 114.8 -22.5 -47.2 19.6 7 1JA E T 34 S+ 0 0 113 -2,-0.8 4,-0.3 1,-0.3 -1,-0.1 0.643 102.6 48.1 -38.5 -24.0 -18.8 -47.3 20.2 8 1IA K T 34 S+ 0 0 154 2,-0.1 -1,-0.3 1,-0.1 4,-0.1 0.627 116.2 36.0-102.1 -9.1 -18.5 -49.6 17.3 9 1HA T T <4 S+ 0 0 28 -3,-3.0 -2,-0.2 2,-0.1 -1,-0.1 0.782 124.8 41.0-100.6 -42.0 -20.5 -47.9 14.6 10 1GA F S < S- 0 0 6 -4,-2.5 70,-0.3 1,-0.2 2,-0.2 0.988 102.4-129.6 -67.3 -65.8 -19.6 -44.4 15.6 11 1FA G > - 0 0 6 -5,-0.3 3,-0.5 -4,-0.3 -1,-0.2 -0.747 39.6 -40.8 133.1-179.7 -15.9 -44.7 16.4 12 1EA L T 3 S+ 0 0 88 -2,-0.2 67,-1.5 1,-0.2 68,-0.2 -0.421 105.2 54.7 -77.1 154.9 -13.8 -43.6 19.4 13 1DA G T >> + 0 0 18 65,-0.2 3,-3.8 -2,-0.1 4,-0.7 -0.250 62.1 111.5 123.7 -47.4 -14.3 -40.3 21.1 14 1CA E G X4 S+ 0 0 19 -3,-0.5 3,-1.1 1,-0.3 -12,-0.2 0.761 80.3 52.5 -24.9 -58.6 -18.0 -40.1 22.1 15 1BA A G 34 S+ 0 0 67 1,-0.2 -1,-0.3 -14,-0.1 -12,-0.1 0.418 121.3 29.0 -68.3 -0.4 -17.1 -40.4 25.8 16 1AA D G X4 S+ 0 0 49 -3,-3.8 3,-0.7 146,-0.1 -1,-0.2 0.218 84.0 133.6-145.6 17.4 -14.7 -37.5 25.8 17 1 A a T << + 0 0 5 -3,-1.1 145,-0.2 -4,-0.7 3,-0.1 -0.225 62.1 37.5 -65.0 161.6 -15.8 -35.1 23.0 18 2 A G T 3 S+ 0 0 0 143,-1.7 245,-1.5 244,-0.2 2,-0.5 0.630 88.7 107.3 70.4 14.6 -16.1 -31.4 23.7 19 3 A L < - 0 0 29 -3,-0.7 -1,-0.1 142,-0.4 243,-0.1 -0.912 60.5-147.4-128.1 104.0 -13.0 -31.3 25.9 20 4 A R > > - 0 0 0 -2,-0.5 3,-1.6 1,-0.1 5,-1.4 -0.510 9.0-139.8 -74.8 132.5 -10.0 -29.7 24.3 21 5 A P T 3 5S+ 0 0 17 0, 0.0 5,-0.1 0, 0.0 -1,-0.1 0.822 100.7 49.6 -58.6 -36.3 -6.5 -31.0 25.2 22 6 A L T 3 5S+ 0 0 27 135,-0.5 -2,-0.1 32,-0.4 135,-0.0 0.277 128.8 11.9 -91.9 13.7 -4.9 -27.6 25.4 23 7 A F T <>>S+ 0 0 13 -3,-1.6 5,-2.6 4,-0.0 4,-0.7 0.269 125.1 37.1-144.8 -80.8 -7.5 -26.0 27.6 24 8 A E T >45S+ 0 0 18 1,-0.3 3,-2.9 2,-0.2 -5,-0.1 0.959 119.8 46.8 -47.7 -66.7 -10.2 -28.0 29.4 25 9 A K T 34 - 0 0 8 -2,-0.2 3,-1.1 25,-0.1 4,-0.4 -0.504 35.1 -87.7 -90.7 165.8 -9.1 -19.5 26.0 31 14AA T T 3 S+ 0 0 113 1,-0.2 3,-0.1 -2,-0.2 -1,-0.1 0.760 119.6 24.5 -38.3 -46.6 -9.1 -15.8 25.1 32 14BA T T >> S+ 0 0 23 1,-0.1 3,-1.4 2,-0.1 4,-0.6 0.437 82.7 107.6-111.0 4.2 -12.9 -15.4 24.4 33 14CA E H X> S+ 0 0 3 -3,-1.1 3,-3.5 1,-0.3 4,-2.1 0.910 76.8 61.0 -42.8 -58.7 -14.7 -18.1 26.4 34 14DA K H 3> S+ 0 0 120 -4,-0.4 4,-2.2 1,-0.3 -1,-0.3 0.802 95.6 62.0 -43.2 -36.8 -16.1 -15.7 29.0 35 14EA E H <4 S+ 0 0 43 -3,-1.4 -1,-0.3 1,-0.2 144,-0.2 0.784 114.4 35.0 -63.3 -23.9 -17.9 -13.8 26.2 36 14FA L H X< S+ 0 0 1 -3,-3.5 3,-2.1 -4,-0.6 143,-0.3 0.880 115.4 51.1 -93.3 -51.3 -19.9 -17.1 25.6 37 14GA L H >< S+ 0 0 42 -4,-2.1 3,-1.4 1,-0.3 -3,-0.2 0.867 108.0 55.2 -55.6 -37.3 -20.2 -18.5 29.1 38 14HA D T 3< S+ 0 0 104 -4,-2.2 -1,-0.3 -5,-0.3 -2,-0.1 0.584 98.7 63.5 -72.5 -9.7 -21.6 -15.2 30.3 39 14IA S T < S+ 0 0 15 -3,-2.1 2,-1.1 1,-0.2 -1,-0.3 0.359 78.1 91.9 -95.8 4.3 -24.3 -15.3 27.6 40 14JA Y < + 0 0 19 -3,-1.4 -1,-0.2 -4,-0.2 133,-0.0 -0.642 40.9 156.9-102.0 77.3 -25.8 -18.3 29.1 41 14KA I + 0 0 147 -2,-1.1 -1,-0.2 132,-0.1 132,-0.1 0.597 38.5 115.3 -71.3 -17.4 -28.3 -16.7 31.4 42 14LA D 0 0 36 130,-0.3 130,-0.1 -3,-0.2 -2,-0.0 -0.259 360.0 360.0 -55.0 142.5 -30.3 -19.9 31.3 43 14MA G 0 0 89 0, 0.0 -1,-0.1 0, 0.0 129,-0.0 0.914 360.0 360.0 -72.7 360.0 -30.6 -21.7 34.6 44 !* 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 45 16 B I > 0 0 1 0, 0.0 3,-0.8 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 125.3 -14.7 -15.3 8.7 46 17 B V B 3 +A 243 0A 9 197,-1.9 197,-1.7 1,-0.2 143,-0.2 -0.603 360.0 4.0 -82.9 136.5 -15.4 -11.6 8.7 47 18 B E T 3 S+ 0 0 101 141,-0.6 -1,-0.2 -2,-0.3 194,-0.2 0.567 105.5 117.5 69.6 9.4 -14.7 -9.5 11.9 48 19 B G < - 0 0 21 -3,-0.8 2,-0.3 195,-0.2 159,-0.2 0.072 52.4-132.1 -89.1-155.3 -13.2 -12.6 13.5 49 20 B W E -B 206 0B 76 157,-1.8 157,-0.9 -3,-0.1 2,-0.2 -0.964 31.4 -62.3-155.8 171.9 -9.7 -13.2 14.8 50 21 B D E -B 205 0B 102 -2,-0.3 2,-0.4 155,-0.2 155,-0.2 -0.395 52.6-129.6 -61.7 124.7 -6.7 -15.5 14.9 51 22 B A - 0 0 3 153,-2.5 3,-0.1 -2,-0.2 153,-0.1 -0.619 19.9-118.1 -81.2 130.5 -7.5 -18.8 16.6 52 23 B E > - 0 0 59 -2,-0.4 3,-1.6 1,-0.1 4,-0.3 -0.318 47.7 -86.3 -60.1 145.9 -5.2 -19.9 19.4 53 24 B K T 3 S+ 0 0 106 1,-0.3 -1,-0.1 2,-0.1 57,-0.1 -0.222 114.6 12.3 -56.1 148.2 -3.6 -23.2 18.5 54 25 B G T 3 S+ 0 0 12 55,-0.1 -32,-0.4 2,-0.1 -1,-0.3 0.762 87.1 127.9 56.0 27.6 -5.7 -26.1 19.5 55 26 B I S < S+ 0 0 3 -3,-1.6 -2,-0.1 1,-0.3 -1,-0.1 0.881 84.9 19.9 -79.1 -37.5 -8.7 -23.9 20.2 56 27 B A > + 0 0 14 -4,-0.3 3,-1.5 1,-0.1 -1,-0.3 -0.687 66.7 174.2-132.7 80.2 -10.9 -26.0 18.0 57 28 B P T 3 S+ 0 0 0 0, 0.0 103,-0.7 0, 0.0 51,-0.2 0.628 82.3 58.6 -60.1 -12.9 -9.4 -29.5 17.6 58 29 B W T 3 S+ 0 0 3 101,-0.2 104,-0.1 103,-0.1 101,-0.1 0.709 75.4 112.0 -91.1 -23.3 -12.6 -30.5 15.8 59 30 B Q < - 0 0 4 -3,-1.5 49,-0.9 16,-0.2 50,-0.4 -0.213 50.8-170.8 -50.5 134.4 -12.3 -27.9 13.0 60 31 B V E -KL 74 107C 0 14,-2.8 14,-1.8 47,-0.1 2,-0.5 -0.933 21.3-133.1-135.2 158.8 -11.6 -29.6 9.7 61 32 B M E -KL 73 106C 0 45,-2.2 45,-2.0 -2,-0.3 2,-1.1 -0.930 10.0-147.2-114.9 125.2 -10.7 -28.8 6.2 62 33 B L E -KL 72 105C 0 10,-3.0 9,-2.3 -2,-0.5 10,-0.9 -0.758 27.8-167.2 -90.6 99.4 -12.5 -30.3 3.2 63 34 B F E -KL 70 104C 24 41,-1.7 41,-2.7 -2,-1.1 2,-0.4 -0.752 17.1-138.5 -96.3 126.7 -9.7 -30.5 0.6 64 35 B R E > -KL 69 103C 69 5,-3.8 5,-1.3 -2,-0.5 39,-0.3 -0.651 12.6-146.9 -80.6 132.2 -10.2 -31.2 -3.0 65 36 B K T 5S+ 0 0 70 37,-2.1 38,-0.1 -2,-0.4 -1,-0.1 0.967 74.0 48.6 -62.8 -59.8 -7.6 -33.5 -4.4 66 36AB S T 5S+ 0 0 99 36,-0.6 -1,-0.2 1,-0.3 2,-0.2 -0.945 123.7 16.9-141.6 117.6 -7.1 -32.3 -7.9 67 37 B P T 5S- 0 0 77 0, 0.0 -1,-0.3 0, 0.0 2,-0.2 0.631 106.6-119.4 -72.5 159.3 -6.7 -29.6 -8.4 68 38 B Q T 5 + 0 0 149 -2,-0.2 2,-0.3 -3,-0.1 -3,-0.2 -0.485 50.3 159.7 -64.3 133.4 -5.8 -29.1 -4.8 69 39 B E E < -K 64 0C 53 -5,-1.3 -5,-3.8 -2,-0.2 2,-0.9 -0.941 45.1-125.7-162.1 133.4 -8.4 -26.6 -3.5 70 40 B L E +K 63 0C 16 -2,-0.3 -7,-0.2 -7,-0.2 246,-0.1 -0.769 37.7 169.4 -84.3 108.9 -9.7 -25.7 -0.0 71 41 B L E - 0 0 11 -9,-2.3 243,-0.4 -2,-0.9 2,-0.2 0.961 48.0 -28.8 -86.0 -68.2 -13.5 -26.2 -0.4 72 42 B b E -K 62 0C 1 -10,-0.9 -10,-3.0 241,-0.2 -1,-0.2 -0.741 58.9 -94.6-140.1-171.5 -15.2 -26.0 2.9 73 43 B G E -K 61 0C 1 176,-4.4 12,-0.5 -12,-0.2 2,-0.3 -0.596 36.1-179.0-105.4 169.1 -14.9 -26.6 6.6 74 44 B A E -K 60 0C 0 -14,-1.8 -14,-2.8 -2,-0.2 2,-0.3 -0.965 16.6-127.3-159.5 170.9 -15.9 -29.6 8.6 75 45 B S E -N 83 0D 0 8,-2.9 8,-1.0 -2,-0.3 2,-0.5 -0.772 13.1-130.0-124.0 169.3 -16.1 -31.1 12.0 76 46 B L E +N 82 0D 0 -2,-0.3 86,-3.3 6,-0.2 6,-0.2 -0.961 27.8 165.8-121.2 106.8 -14.9 -34.2 13.8 77 47 B I S S- 0 0 2 4,-1.6 2,-0.3 -2,-0.5 87,-0.2 0.631 76.0 -5.3 -93.3 -17.5 -17.7 -35.9 15.8 78 48 B S S S- 0 0 0 3,-1.3 -65,-0.2 -3,-0.1 -1,-0.2 -0.904 79.7 -93.7-157.8-178.3 -15.7 -39.1 16.1 79 49 B D S S+ 0 0 14 -67,-1.5 74,-1.9 -2,-0.3 -68,-0.1 0.560 126.5 36.1 -85.3 -7.2 -12.5 -40.6 14.9 80 50 B R S S+ 0 0 56 -70,-0.3 69,-1.8 -68,-0.2 2,-0.4 0.601 112.2 64.3-116.2 -16.5 -14.3 -42.3 12.1 81 51 B W E - 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