==== 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 BLOOD CLOTTING,HYDROLASE/INHIBITOR 23-SEP-02 1MU6 . COMPND 2 MOLECULE: THROMBIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.S.BURGEY,K.A.ROBINSON,T.A.LYLE,P.E.SANDERSON,S.D.LEWIS,B.J . 287 4 4 3 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12898.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 176 61.3 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 . 75 26.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 1.0 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 . 22 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 28 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.7 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 1 1 0 2 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 . 4 4 1 3 3 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 1 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 1AA D > 0 0 110 0, 0.0 3,-1.2 0, 0.0 145,-0.1 0.000 360.0 360.0 360.0 -3.0 10.0 18.7 19.3 2 1 A a T 3 + 0 0 43 1,-0.2 143,-0.2 143,-0.1 144,-0.1 -0.059 360.0 23.7 -55.1 153.0 10.7 15.0 20.0 3 2 A G T 3 S+ 0 0 0 141,-2.4 236,-1.0 235,-0.2 2,-0.7 0.443 89.8 111.0 72.8 -1.1 8.0 12.8 21.6 4 3 A L < - 0 0 33 -3,-1.2 -1,-0.1 140,-0.3 234,-0.1 -0.929 62.6-141.6-109.3 110.6 5.1 14.9 20.4 5 4 A R > > - 0 0 0 -2,-0.7 5,-2.3 1,-0.1 3,-1.2 -0.536 6.0-139.6 -76.4 130.5 3.1 13.0 17.7 6 5 A P T 3 5S+ 0 0 20 0, 0.0 -1,-0.1 0, 0.0 134,-0.1 0.886 103.5 43.0 -53.6 -42.3 1.7 15.0 14.8 7 6 A L T 3 5S+ 0 0 32 133,-0.5 31,-0.1 30,-0.3 133,-0.0 0.470 129.6 19.1 -87.9 -0.9 -1.6 13.1 14.8 8 7 A F T X>>S+ 0 0 14 -3,-1.2 5,-2.3 29,-0.1 3,-1.6 0.455 126.3 27.3-128.5 -86.9 -2.1 13.0 18.6 9 8 A E G >45S+ 0 0 32 1,-0.3 3,-0.9 3,-0.2 -5,-0.1 0.870 119.5 57.0 -51.0 -41.8 -0.4 15.4 21.1 10 9 A K G 34 - 0 0 6 -2,-0.3 3,-0.5 1,-0.1 4,-0.4 -0.351 39.9 -96.0 -78.6 167.9 -4.7 7.2 21.3 16 14AA K T 3 S+ 0 0 95 1,-0.2 -1,-0.1 2,-0.1 4,-0.0 0.589 114.4 25.6 -65.1 -11.7 -6.9 4.4 22.6 17 14BA T T >> S+ 0 0 36 2,-0.1 3,-1.3 1,-0.0 4,-0.9 0.427 85.0 99.0-132.1 3.8 -4.7 3.0 25.3 18 14CA E H <> S+ 0 0 3 -3,-0.5 4,-2.1 1,-0.3 3,-0.4 0.833 78.2 67.4 -62.2 -28.0 -2.3 5.7 26.5 19 14DA R H 3> S+ 0 0 153 -4,-0.4 4,-2.5 1,-0.2 -1,-0.3 0.834 92.6 60.3 -58.6 -33.7 -4.6 6.3 29.4 20 14EA E H <> S+ 0 0 49 -3,-1.3 4,-0.8 2,-0.2 -1,-0.2 0.917 106.1 47.3 -61.0 -42.7 -3.6 2.8 30.7 21 14FA L H >X S+ 0 0 0 -4,-0.9 3,-1.4 -3,-0.4 4,-0.7 0.973 112.3 47.6 -62.2 -55.4 -0.0 4.0 30.9 22 14GA L H >< S+ 0 0 41 -4,-2.1 3,-0.9 1,-0.3 -2,-0.2 0.853 108.5 55.6 -55.1 -38.7 -0.8 7.3 32.7 23 14HA E H 3< S+ 0 0 112 -4,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.706 101.7 58.4 -69.3 -19.1 -3.0 5.5 35.2 24 14IA S H << S+ 0 0 21 -3,-1.4 2,-1.7 -4,-0.8 -1,-0.2 0.675 83.6 82.2 -84.2 -16.7 -0.2 3.2 36.1 25 14JA Y << 0 0 27 -3,-0.9 -1,-0.2 -4,-0.7 136,-0.1 -0.268 360.0 360.0 -83.4 52.2 2.0 6.1 37.1 26 14KA I 0 0 112 -2,-1.7 -2,-0.1 -3,-0.2 135,-0.0 -0.072 360.0 360.0 -69.8 360.0 0.3 6.2 40.5 27 !* 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 28 16 B I 0 0 0 0, 0.0 2,-0.4 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 130.9 4.1 -8.9 19.6 29 17 B V B -A 219 0A 9 190,-2.9 190,-1.3 1,-0.2 143,-0.1 -0.860 360.0 -0.0-102.9 133.0 2.0 -11.5 21.4 30 18 B E S S+ 0 0 126 141,-0.5 -1,-0.2 -2,-0.4 187,-0.2 0.803 102.1 126.7 61.9 31.8 -1.5 -10.7 22.7 31 19 B G - 0 0 28 -3,-0.4 2,-0.3 152,-0.1 152,-0.2 -0.092 50.6-126.3 -98.8-157.8 -1.2 -7.1 21.4 32 20 B S E -B 182 0B 50 150,-1.8 150,-2.2 -3,-0.1 2,-0.1 -0.946 34.3 -73.3-148.8 166.4 -3.5 -5.2 19.1 33 21 B D E -B 181 0B 101 -2,-0.3 148,-0.2 148,-0.2 2,-0.1 -0.404 50.1-127.4 -63.5 135.3 -3.4 -3.2 15.9 34 22 B A - 0 0 6 146,-2.6 2,-0.1 59,-0.1 -1,-0.1 -0.494 22.7-113.9 -81.5 154.8 -1.7 0.2 16.3 35 23 B E > - 0 0 63 -2,-0.1 3,-1.8 1,-0.1 4,-0.3 -0.487 44.5 -82.5 -84.0 161.0 -3.5 3.3 15.1 36 24 B I T 3 S+ 0 0 85 1,-0.3 -1,-0.1 -2,-0.1 57,-0.1 -0.419 117.1 7.8 -63.4 135.5 -2.2 5.3 12.2 37 25 B G T 3 S+ 0 0 12 55,-0.1 -30,-0.3 2,-0.1 -1,-0.3 0.582 90.2 127.1 69.0 10.7 0.6 7.6 13.4 38 26 B M S < S+ 0 0 1 -3,-1.8 -2,-0.1 1,-0.3 -23,-0.1 0.791 83.7 21.0 -68.6 -30.1 0.6 6.0 16.8 39 27 B S > + 0 0 11 -4,-0.3 3,-2.4 102,-0.1 -1,-0.3 -0.512 67.6 167.6-139.9 68.2 4.4 5.4 16.8 40 28 B P T 3 S+ 0 0 2 0, 0.0 103,-1.4 0, 0.0 51,-0.2 0.577 78.1 59.7 -59.3 -11.7 6.0 7.7 14.2 41 29 B W T 3 S+ 0 0 1 101,-0.2 18,-1.9 103,-0.1 2,-0.1 0.530 77.2 117.3 -93.9 -8.6 9.4 6.8 15.5 42 30 B Q E < -J 58 0C 4 -3,-2.4 49,-0.9 16,-0.2 2,-0.3 -0.393 46.3-170.0 -63.5 130.4 9.0 3.1 14.7 43 31 B V E -JK 57 90C 0 14,-2.5 14,-1.2 47,-0.1 2,-0.5 -0.935 15.7-140.9-125.3 147.6 11.5 2.0 12.2 44 32 B M E -JK 56 89C 0 45,-2.1 45,-2.5 -2,-0.3 2,-0.7 -0.928 9.1-145.5-109.8 126.8 11.8 -1.3 10.2 45 33 B L E -JK 55 88C 0 10,-3.2 9,-2.8 -2,-0.5 10,-1.0 -0.837 26.9-167.6 -89.1 118.7 15.2 -2.9 9.6 46 34 B F E -JK 53 87C 0 41,-3.4 41,-2.5 -2,-0.7 2,-0.4 -0.931 15.8-139.0-117.3 131.5 14.9 -4.4 6.2 47 35 B R E > -JK 52 86C 81 5,-2.9 5,-1.1 -2,-0.4 39,-0.2 -0.691 7.3-151.0 -86.9 134.8 17.3 -6.9 4.5 48 36 B K T 5S+ 0 0 26 37,-1.8 -1,-0.1 -2,-0.4 38,-0.1 0.989 75.9 53.8 -67.9 -62.8 18.0 -6.3 0.8 49 36AB S T 5S+ 0 0 98 36,-0.3 -1,-0.2 1,-0.3 2,-0.1 -0.936 124.4 15.4-127.9 111.7 18.7 -9.9 -0.4 50 37 B P T 5S- 0 0 80 0, 0.0 2,-0.5 0, 0.0 -1,-0.3 0.613 104.0-123.7 -78.3 160.5 16.6 -11.7 0.3 51 38 B Q T 5 + 0 0 55 -2,-0.1 230,-0.3 230,-0.1 2,-0.3 -0.576 56.3 132.4 -72.2 118.0 14.0 -9.0 1.1 52 39 B E E < -J 47 0C 66 -5,-1.1 -5,-2.9 -2,-0.5 2,-0.5 -0.992 61.1 -89.1-162.8 161.1 12.8 -9.6 4.7 53 40 B L E +J 46 0C 33 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.642 38.2 171.9 -77.8 120.9 12.1 -8.1 8.1 54 41 B L E - 0 0 26 -9,-2.8 2,-0.3 -2,-0.5 169,-0.2 0.886 55.1 -43.8 -94.5 -51.2 15.2 -8.2 10.3 55 42 B b E -J 45 0C 4 -10,-1.0 -10,-3.2 169,-0.1 -1,-0.4 -0.954 53.2 -91.8-165.7 180.0 14.2 -6.1 13.3 56 43 B G E +J 44 0C 2 169,-3.5 12,-0.4 -2,-0.3 2,-0.3 -0.463 39.5 170.0 -97.7 174.6 12.6 -3.1 14.7 57 44 B A E -J 43 0C 0 -14,-1.2 -14,-2.5 -2,-0.2 2,-0.3 -0.928 22.6-121.4-169.3 178.7 14.4 0.2 15.5 58 45 B S E -JL 42 66C 0 8,-1.9 8,-2.6 -2,-0.3 2,-0.6 -0.991 13.4-124.4-141.7 150.8 13.6 3.8 16.4 59 46 B L E + L 0 65C 0 -18,-1.9 86,-2.2 -2,-0.3 6,-0.2 -0.829 29.1 167.5 -95.4 119.5 14.1 7.3 15.0 60 47 B I S S- 0 0 24 4,-2.0 2,-0.3 -2,-0.6 5,-0.2 0.480 70.0 -4.4-108.3 -7.2 15.8 9.6 17.5 61 48 B S S S- 0 0 30 3,-1.1 -1,-0.2 85,-0.1 75,-0.1 -0.932 85.6 -85.0-166.0 179.8 16.7 12.4 15.1 62 49 B D S S+ 0 0 70 -2,-0.3 74,-2.3 1,-0.2 3,-0.1 0.611 128.7 29.2 -74.1 -9.9 16.5 13.2 11.4 63 50 B R S S+ 0 0 63 72,-0.2 69,-2.6 1,-0.1 2,-0.4 0.460 109.8 71.8-127.5 -6.5 19.8 11.4 10.9 64 51 B W E - M 0 131C 9 67,-0.2 -4,-2.0 65,-0.0 -3,-1.1 -0.940 47.8-170.8-125.6 141.6 20.0 8.7 13.6 65 52 B V E -LM 59 130C 0 65,-2.1 65,-2.2 -2,-0.4 2,-0.4 -0.972 12.7-149.7-125.4 137.8 18.3 5.4 14.3 66 53 B L E +LM 58 129C 0 -8,-2.6 -8,-1.9 -2,-0.4 2,-0.2 -0.903 29.6 145.1-110.5 134.6 18.6 3.3 17.5 67 54 B T E - M 0 128C 0 61,-2.4 61,-2.0 -2,-0.4 2,-0.4 -0.857 50.3 -71.2-151.3-175.8 18.4 -0.5 17.6 68 55 B A > - 0 0 0 -12,-0.4 3,-1.9 -2,-0.2 4,-0.5 -0.727 32.0-137.7 -89.1 133.9 19.7 -3.7 19.2 69 56 B A G >> S+ 0 0 0 -2,-0.4 4,-3.0 1,-0.3 3,-1.6 0.829 102.2 65.5 -58.2 -32.2 23.3 -4.7 18.5 70 57 B H G 34 S+ 0 0 19 1,-0.3 -1,-0.3 2,-0.2 155,-0.0 0.662 89.8 66.8 -68.2 -11.6 22.2 -8.3 18.2 71 58 B b G <4 S+ 0 0 0 -3,-1.9 -1,-0.3 1,-0.1 -2,-0.2 0.759 116.6 25.7 -74.8 -25.6 20.1 -7.3 15.1 72 59 B L T <4 S+ 0 0 0 -3,-1.6 9,-2.4 -4,-0.5 2,-0.4 0.764 129.0 32.4-106.3 -36.3 23.4 -6.6 13.3 73 60 B L E < +P 80 0D 35 -4,-3.0 -1,-0.3 7,-0.2 7,-0.2 -0.977 53.4 136.9-134.1 123.9 26.0 -8.8 15.0 74 60AB Y E > > -P 79 0D 53 5,-2.9 3,-2.4 -2,-0.4 5,-1.6 -0.431 24.0-170.1-162.5 78.0 25.6 -12.3 16.6 75 60BB P G > 5S+ 0 0 48 0, 0.0 3,-2.4 0, 0.0 5,-0.1 0.755 80.9 70.7 -41.5 -39.2 28.5 -14.7 15.8 76 60CB P G 3 5S+ 0 0 65 0, 0.0 44,-0.0 0, 0.0 43,-0.0 0.829 110.8 32.9 -53.4 -31.3 26.7 -17.7 17.3 77 60DB W G < 5S- 0 0 181 -3,-2.4 3,-0.1 2,-0.1 0, 0.0 0.103 117.6-110.3-109.9 19.5 24.2 -17.6 14.3 78 60EB D T < 5 + 0 0 152 -3,-2.4 2,-0.6 1,-0.2 -5,-0.0 0.809 66.0 155.1 55.3 33.3 26.8 -16.3 11.9 79 60FB K E < +P 74 0D 46 -5,-1.6 -5,-2.9 1,-0.0 -1,-0.2 -0.818 5.1 142.7 -95.4 123.0 25.0 -12.9 11.8 80 60GB N E -P 73 0D 111 -2,-0.6 2,-0.2 -7,-0.2 -7,-0.2 -0.456 23.9-174.5-159.6 77.0 27.2 -10.0 10.8 81 60HB F - 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