==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 22-MAY-09 3HK6 . COMPND 2 MOLECULE: THROMBIN LIGHT CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR P.S.GANDHI,M.J.PAGE,Z.CHEN,L.BUSH-PELC,E.DI CERA . 602 4 8 6 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25456.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 377 62.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 1.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 145 24.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 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 . 4 0.7 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 . 52 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 76 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 59 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 0.8 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 2 1 2 3 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 7 4 2 9 7 2 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 0 0 0 2 0 1 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 0 101 0, 0.0 2,-1.4 0, 0.0 259,-0.0 0.000 360.0 360.0 360.0 92.0 -5.0 -14.1 -40.9 2 1OA H - 0 0 104 1,-0.1 13,-0.0 0, 0.0 0, 0.0 -0.623 360.0-138.8 -79.3 91.0 -3.3 -16.9 -42.8 3 1NA T - 0 0 81 -2,-1.4 -1,-0.1 1,-0.1 3,-0.0 0.232 17.1-162.8 -43.8 164.1 -4.0 -20.1 -40.6 4 1MA F + 0 0 96 1,-0.0 3,-0.2 2,-0.0 -1,-0.1 0.617 56.0 56.9-115.8 -91.5 -1.6 -23.0 -39.7 5 1LA F S S- 0 0 8 1,-0.2 2,-1.0 2,-0.1 3,-0.0 0.249 91.8 -84.0 -54.1 168.8 -3.0 -26.3 -38.4 6 1KA N >>> - 0 0 91 1,-0.2 4,-2.9 -3,-0.0 3,-2.7 -0.633 27.0-146.0 -82.2 105.0 -5.5 -28.6 -40.0 7 1JA E H 3>5S+ 0 0 109 -2,-1.0 4,-1.5 1,-0.3 -1,-0.2 0.812 99.5 61.7 -26.9 -42.3 -9.0 -27.4 -39.3 8 1IA K H 345S+ 0 0 174 1,-0.2 -1,-0.3 2,-0.2 4,-0.1 0.759 119.8 18.0 -64.5 -32.6 -9.7 -31.2 -39.3 9 1HA T H <45S+ 0 0 33 -3,-2.7 -2,-0.2 2,-0.1 -1,-0.2 0.669 123.3 56.2-112.8 -30.9 -7.5 -32.3 -36.4 10 1GA F H <5S- 0 0 2 -4,-2.9 71,-0.3 1,-0.2 70,-0.2 0.896 106.2-125.8 -71.0 -43.0 -6.9 -29.0 -34.7 11 1FA G ><< - 0 0 13 -4,-1.5 3,-0.6 -5,-0.5 -1,-0.2 -0.261 34.7 -52.4 110.6 159.0 -10.5 -28.4 -34.2 12 1EA L T 3 S+ 0 0 110 1,-0.2 67,-2.7 -2,-0.1 68,-0.1 -0.396 102.8 69.3 -60.4 136.0 -12.7 -25.5 -35.2 13 1DA G T > + 0 0 17 65,-0.2 3,-0.6 66,-0.1 -1,-0.2 0.143 59.0 97.7 147.9 -24.8 -11.5 -22.1 -33.9 14 1CA E G X S+ 0 0 23 -3,-0.6 3,-1.7 1,-0.2 -2,-0.1 0.862 76.5 60.8 -62.5 -42.9 -8.3 -21.0 -35.7 15 1BA A G 3 S+ 0 0 70 1,-0.3 -1,-0.2 148,-0.0 -12,-0.0 0.723 118.2 26.6 -59.8 -34.5 -9.8 -18.6 -38.4 16 1AA D G X S+ 0 0 61 -3,-0.6 3,-0.8 3,-0.0 -1,-0.3 -0.118 93.8 144.8-119.2 25.9 -11.4 -16.1 -36.0 17 1 A a T < + 0 0 2 -3,-1.7 145,-0.2 1,-0.2 -3,-0.1 -0.150 56.7 21.3 -64.9 164.6 -9.0 -16.8 -33.1 18 2 A G T 3 S+ 0 0 0 143,-1.6 245,-1.3 244,-0.2 2,-0.4 0.636 90.7 113.2 59.9 20.6 -7.9 -14.1 -30.7 19 3 A L < - 0 0 28 -3,-0.8 -1,-0.1 142,-0.3 243,-0.1 -0.986 66.1-125.8-129.2 124.4 -10.7 -11.7 -31.3 20 4 A R > > - 0 0 0 -2,-0.4 5,-3.1 1,-0.1 3,-1.3 -0.559 4.1-147.8 -91.2 119.6 -13.1 -11.2 -28.4 21 5 A P T 3 5S+ 0 0 16 0, 0.0 -1,-0.1 0, 0.0 136,-0.1 0.798 103.8 33.4 -38.3 -48.7 -16.8 -11.7 -28.8 22 6 A L T 3 5S+ 0 0 43 135,-0.4 33,-0.1 32,-0.1 -2,-0.1 0.505 133.7 24.9 -91.9 -7.2 -17.5 -9.0 -26.2 23 7 A F T X 5S+ 0 0 13 -3,-1.3 3,-1.3 31,-0.1 4,-0.1 0.721 126.4 26.2-123.4 -76.0 -14.6 -6.8 -27.0 24 8 A E G > 5S+ 0 0 27 1,-0.3 3,-1.6 2,-0.2 -2,-0.0 0.847 111.9 69.6 -60.3 -34.5 -12.9 -6.8 -30.4 25 9 A K G 3 - 0 0 7 -2,-0.2 3,-2.5 1,-0.1 4,-0.4 -0.811 36.3-102.1-109.6 139.1 -11.2 -3.2 -22.1 31 14AA T T 3 S+ 0 0 112 -2,-0.4 -1,-0.1 1,-0.3 -2,-0.0 0.603 116.1 23.2 -28.9 -32.2 -10.3 -1.2 -19.0 32 14BA T T >> S+ 0 0 13 2,-0.1 3,-1.1 1,-0.1 4,-0.8 0.377 88.1 102.2-124.7 5.2 -6.6 -1.7 -19.3 33 14CA E H X> S+ 0 0 15 -3,-2.5 4,-1.7 1,-0.3 3,-1.3 0.921 75.1 62.6 -67.4 -46.5 -5.7 -2.5 -23.0 34 14DA K H 3> S+ 0 0 152 -4,-0.4 4,-2.1 1,-0.3 -1,-0.3 0.719 97.5 64.7 -41.0 -27.4 -4.4 1.0 -24.0 35 14EA E H <4 S+ 0 0 57 -3,-1.1 -1,-0.3 2,-0.2 -2,-0.2 0.954 104.7 42.1 -62.4 -51.2 -1.8 0.2 -21.4 36 14FA L H X< S+ 0 0 3 -3,-1.3 3,-2.8 -4,-0.8 143,-0.4 0.966 111.5 54.3 -59.3 -58.2 -0.5 -2.7 -23.5 37 14GA L H >< S+ 0 0 97 -4,-1.7 3,-2.0 1,-0.3 -2,-0.2 0.917 106.2 52.8 -39.7 -66.0 -0.7 -0.7 -26.8 38 14HA D T 3< S+ 0 0 89 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.367 91.8 74.6 -58.1 3.9 1.5 2.0 -25.4 39 14IA S T < S+ 0 0 14 -3,-2.8 2,-1.2 1,-0.2 -1,-0.3 0.552 72.9 92.6 -90.2 -3.1 4.2 -0.4 -24.3 40 14JA Y < + 0 0 45 -3,-2.0 -1,-0.2 -4,-0.3 138,-0.1 -0.501 38.8 131.8 -97.9 66.7 5.3 -0.8 -27.9 41 14KA I + 0 0 144 -2,-1.2 -1,-0.2 -3,-0.1 136,-0.0 0.639 50.9 80.3 -90.5 -23.5 8.1 1.9 -28.3 42 14LA D 0 0 74 -3,-0.3 130,-0.0 1,-0.1 -2,-0.0 0.385 360.0 360.0 -69.7-151.0 10.8 -0.3 -29.9 43 14MA G 0 0 108 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.709 360.0 360.0 85.0 360.0 11.1 -1.3 -33.6 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 0 0, 0.0 3,-0.7 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 127.0 -2.0 -12.9 -9.2 46 17 B V B 3 -A 243 0A 17 197,-2.3 197,-1.2 1,-0.3 195,-0.1 -0.695 360.0 -7.7 -97.2 142.9 -0.4 -10.1 -7.3 47 18 B E T 3 S+ 0 0 93 141,-0.4 195,-0.3 -2,-0.3 -1,-0.3 0.848 100.7 139.6 33.0 43.8 -1.5 -6.5 -7.6 48 19 B G < - 0 0 20 -3,-0.7 2,-0.3 159,-0.1 159,-0.2 -0.389 43.9-136.3 -86.8 175.9 -3.8 -7.8 -10.4 49 20 B W E -B 206 0B 74 157,-2.3 157,-3.0 -2,-0.2 2,-0.1 -0.847 29.0 -78.6-127.5 170.2 -7.3 -6.5 -10.7 50 21 B D E -B 205 0B 105 -2,-0.3 2,-0.4 155,-0.2 155,-0.2 -0.458 48.3-121.0 -64.5 146.0 -10.7 -8.1 -11.4 51 22 B A - 0 0 5 153,-1.9 153,-0.1 -2,-0.1 3,-0.1 -0.790 19.3-116.1 -88.1 129.3 -11.4 -9.0 -15.0 52 23 B E > - 0 0 64 -2,-0.4 3,-2.5 1,-0.1 4,-0.2 -0.402 53.3 -88.2 -53.9 131.3 -14.4 -7.6 -16.9 53 24 B K T 3 S+ 0 0 120 1,-0.3 -1,-0.1 2,-0.1 57,-0.1 -0.283 117.1 15.8 -46.5 132.5 -16.6 -10.5 -17.8 54 25 B G T 3 S+ 0 0 14 2,-0.1 -1,-0.3 -3,-0.1 -32,-0.1 -0.009 83.2 128.9 87.1 -25.7 -15.3 -11.9 -21.1 55 26 B I S < S+ 0 0 2 -3,-2.5 -2,-0.1 1,-0.3 -35,-0.1 0.646 88.2 15.2 -46.3 -23.3 -11.9 -10.0 -21.1 56 27 B A > + 0 0 9 -4,-0.2 3,-1.6 1,-0.1 -1,-0.3 -0.562 67.7 173.8-148.1 88.7 -10.1 -13.3 -21.8 57 28 B P T 3 S+ 0 0 3 0, 0.0 51,-0.6 0, 0.0 103,-0.2 0.838 76.3 70.2 -67.0 -33.0 -12.4 -16.0 -23.0 58 29 B W T 3 S+ 0 0 4 102,-0.3 18,-0.5 103,-0.2 104,-0.1 0.692 73.5 117.6 -51.3 -21.0 -9.5 -18.3 -23.7 59 30 B Q E < -K 75 0C 3 -3,-1.6 49,-1.0 16,-0.2 50,-0.5 -0.282 45.2-171.1 -63.9 126.2 -9.0 -18.7 -19.9 60 31 B V E -KL 74 107C 0 14,-1.6 14,-0.6 47,-0.2 2,-0.5 -0.946 17.9-142.1-119.7 134.1 -9.4 -22.2 -18.6 61 32 B M E -KL 73 106C 0 45,-2.9 45,-3.3 -2,-0.4 2,-0.7 -0.790 13.6-147.9 -87.7 133.3 -9.5 -23.5 -15.1 62 33 B L E -KL 72 105C 0 10,-2.5 9,-1.8 -2,-0.5 10,-0.9 -0.900 24.0-163.0-104.4 108.7 -7.8 -26.8 -14.6 63 34 B F E -KL 70 104C 14 41,-1.7 41,-1.7 -2,-0.7 2,-0.4 -0.661 19.1-135.6-102.5 144.7 -9.7 -28.7 -11.9 64 35 B R E - L 0 103C 52 5,-2.0 5,-0.4 -2,-0.3 39,-0.2 -0.823 14.7-153.1 -87.6 137.8 -8.9 -31.6 -9.7 65 36 B K S S+ 0 0 64 37,-2.8 -1,-0.2 -2,-0.4 38,-0.1 0.972 74.8 50.2 -70.4 -59.9 -11.8 -34.1 -9.5 66 36AB S S S+ 0 0 107 36,-0.4 -1,-0.3 2,-0.1 2,-0.2 -0.959 127.5 12.2-133.9 109.3 -11.2 -35.8 -6.1 67 37 B P S S- 0 0 77 0, 0.0 2,-0.7 0, 0.0 0, 0.0 0.643 99.0-125.8 -67.1-164.5 -10.8 -33.7 -4.1 68 38 B Q + 0 0 143 -2,-0.2 2,-0.3 -5,-0.1 -3,-0.2 -0.887 48.2 139.0-115.5 106.6 -11.9 -30.5 -5.8 69 39 B E - 0 0 44 -2,-0.7 -5,-2.0 -5,-0.4 2,-0.1 -0.977 58.6 -97.8-140.2 152.0 -9.3 -27.8 -5.8 70 40 B L E +K 63 0C 41 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.447 40.6 179.7 -63.0 146.0 -8.2 -25.3 -8.4 71 41 B L E - 0 0 12 -9,-1.8 2,-0.3 1,-0.4 -8,-0.2 0.694 46.3 -39.6-120.2 -36.2 -5.0 -26.7 -9.9 72 42 B b E -K 62 0C 2 -10,-0.9 -10,-2.5 176,-0.1 -1,-0.4 -0.948 53.7 -87.4 178.9 158.3 -3.8 -24.3 -12.6 73 43 B G E -K 61 0C 3 176,-1.3 12,-0.4 174,-0.4 2,-0.2 -0.304 38.4-176.8 -69.7 167.1 -4.5 -21.9 -15.5 74 44 B A E -K 60 0C 0 -14,-0.6 -14,-1.6 10,-0.1 10,-0.2 -0.771 17.9-135.9-174.7 121.5 -4.8 -23.2 -19.0 75 45 B S E -KM 59 83C 0 8,-1.5 8,-3.7 175,-0.6 2,-0.5 -0.465 15.1-135.4 -80.3 154.6 -5.3 -21.5 -22.4 76 46 B L E + M 0 82C 0 -18,-0.5 86,-2.2 6,-0.2 6,-0.2 -0.971 23.2 173.8-112.4 118.6 -7.7 -22.7 -25.1 77 47 B I E - 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