==== 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 21-DEC-06 2OD3 . COMPND 2 MOLECULE: THROMBIN LIGHT CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR F.MARINO,Z.CHEN,C.E.ERGENEKAN,L.A.BUSH,F.S.MATHEWS,E.DI CERA . 278 4 4 3 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12613.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 167 60.1 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 . 76 27.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 1.4 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 . 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 . 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 . 14 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 26 9.4 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 0 1 2 0 1 0 0 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 0 4 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 1BA A 0 0 133 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-137.2 4.3 -24.0 -0.0 2 1AA D > + 0 0 79 145,-0.0 3,-1.2 2,-0.0 146,-0.1 0.371 360.0 143.0-102.6 7.2 2.5 -25.8 -2.9 3 1 A a T 3 + 0 0 32 1,-0.2 144,-0.2 144,-0.1 145,-0.1 0.044 60.9 18.0 -52.1 150.0 2.8 -23.2 -5.6 4 2 A G T 3 S+ 0 0 0 142,-2.8 238,-1.6 237,-0.2 2,-0.6 0.483 90.2 111.2 72.0 2.8 3.4 -24.1 -9.2 5 3 A L < - 0 0 31 -3,-1.2 -1,-0.1 141,-0.3 236,-0.1 -0.936 62.5-141.1-112.4 106.0 2.3 -27.7 -9.0 6 4 A R > > - 0 0 0 -2,-0.6 5,-2.4 1,-0.1 3,-1.3 -0.513 5.6-139.4 -73.9 129.6 -0.9 -28.2 -11.0 7 5 A P T 3 5S+ 0 0 17 0, 0.0 -1,-0.1 0, 0.0 135,-0.1 0.867 103.7 42.4 -51.7 -43.1 -3.6 -30.5 -9.5 8 6 A L T 3 5S+ 0 0 28 134,-0.5 32,-0.1 31,-0.3 -2,-0.1 0.518 129.6 20.3 -88.6 -2.1 -4.5 -31.9 -12.9 9 7 A F T X >S+ 0 0 16 -3,-1.3 5,-2.9 30,-0.1 3,-1.1 0.519 128.1 24.4-125.4 -83.8 -0.9 -32.3 -14.2 10 8 A E G > 5S+ 0 0 22 1,-0.3 3,-1.4 3,-0.2 -5,-0.1 0.896 121.4 55.3 -56.4 -41.3 2.1 -32.4 -11.9 11 9 A K G 3 > S+ 0 0 34 2,-0.1 3,-1.6 1,-0.1 4,-0.6 0.469 87.2 99.4-129.3 3.0 3.0 -28.8 -25.0 19 14CA E H >> S+ 0 0 21 -3,-0.3 4,-2.0 1,-0.3 3,-0.9 0.783 75.1 70.3 -62.7 -23.0 5.2 -28.5 -21.9 20 14DA R H 3> S+ 0 0 140 -4,-0.4 4,-2.9 1,-0.3 -1,-0.3 0.858 90.0 63.9 -60.8 -31.2 7.8 -30.7 -23.6 21 14EA E H <> S+ 0 0 43 -3,-1.6 4,-0.8 1,-0.2 -1,-0.3 0.863 104.2 45.8 -60.5 -34.4 8.5 -27.8 -25.9 22 14FA L H XX S+ 0 0 1 -3,-0.9 3,-0.7 -4,-0.6 4,-0.5 0.938 111.5 50.4 -73.9 -46.5 9.7 -25.8 -22.9 23 14GA L H >< S+ 0 0 94 -4,-2.0 3,-1.5 1,-0.3 -2,-0.2 0.922 110.1 51.0 -57.4 -44.7 11.8 -28.6 -21.5 24 14HA E H >X S+ 0 0 91 -4,-2.9 4,-1.8 1,-0.3 3,-1.4 0.739 97.1 67.5 -66.9 -21.5 13.5 -29.1 -24.9 25 14IA S H << S+ 0 0 4 -4,-0.8 -1,-0.3 -3,-0.7 -2,-0.2 0.648 86.2 70.9 -73.0 -13.6 14.3 -25.4 -25.2 26 14JA Y T << S+ 0 0 37 -3,-1.5 -1,-0.3 -4,-0.5 -2,-0.2 0.625 107.3 36.3 -77.6 -8.9 16.7 -25.8 -22.3 27 14KA I T <4 0 0 134 -3,-1.4 -2,-0.2 -4,-0.2 -1,-0.1 0.829 360.0 360.0 -98.5 -60.6 19.0 -27.8 -24.7 28 14LA D < 0 0 141 -4,-1.8 -3,-0.3 134,-0.1 -2,-0.1 0.729 360.0 360.0-116.6 360.0 18.4 -25.8 -27.9 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 B I 0 0 0 0, 0.0 2,-0.4 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 122.1 -3.2 -14.7 -28.0 31 17 B V B -A 222 0A 14 191,-2.6 191,-1.6 1,-0.2 143,-0.1 -0.823 360.0 -0.1 -98.9 132.6 -2.4 -14.9 -31.7 32 18 B E S S+ 0 0 124 141,-0.5 188,-0.2 -2,-0.4 -1,-0.2 0.822 102.8 114.9 62.4 33.1 -1.4 -18.2 -33.3 33 19 B G - 0 0 30 -3,-0.4 2,-0.3 153,-0.1 153,-0.2 -0.153 57.6-123.4-107.8-154.2 -1.7 -20.2 -30.1 34 20 B S E -B 185 0B 50 151,-2.2 151,-2.6 -2,-0.1 2,-0.1 -0.923 35.2 -65.7-148.1 174.2 -4.1 -23.0 -29.3 35 21 B D E -B 184 0B 83 -2,-0.3 149,-0.2 149,-0.2 2,-0.1 -0.394 50.4-122.2 -65.0 139.5 -6.8 -23.9 -26.8 36 22 B A - 0 0 6 147,-2.7 2,-0.2 59,-0.1 -1,-0.1 -0.454 26.2-116.7 -76.1 151.2 -5.6 -24.5 -23.2 37 23 B E > - 0 0 62 1,-0.1 3,-1.9 -2,-0.1 4,-0.3 -0.507 47.8 -80.4 -80.6 160.6 -6.3 -27.9 -21.8 38 24 B I T 3 S+ 0 0 98 1,-0.3 -1,-0.1 -2,-0.2 57,-0.1 -0.416 117.4 7.7 -64.6 132.4 -8.6 -27.9 -18.7 39 25 B G T 3 S+ 0 0 12 2,-0.1 -31,-0.3 104,-0.1 -1,-0.3 0.573 90.8 126.0 75.4 7.7 -6.6 -27.0 -15.6 40 26 B M S < S+ 0 0 3 -3,-1.9 -2,-0.1 1,-0.3 -34,-0.1 0.785 82.5 22.9 -69.3 -29.7 -3.5 -26.2 -17.6 41 27 B S S > S+ 0 0 13 -4,-0.3 3,-2.1 102,-0.1 -1,-0.3 -0.607 70.3 167.1-136.5 70.3 -3.1 -22.7 -16.1 42 28 B P T 3 S+ 0 0 3 0, 0.0 103,-1.6 0, 0.0 51,-0.2 0.586 74.2 61.5 -66.2 -8.9 -4.9 -22.8 -12.8 43 29 B W T 3 S+ 0 0 3 101,-0.2 18,-2.2 103,-0.1 104,-0.1 0.378 77.0 123.7 -93.6 -0.3 -3.4 -19.5 -11.6 44 30 B Q E < -J 60 0C 5 -3,-2.1 49,-0.9 16,-0.2 2,-0.4 -0.426 41.9-170.7 -67.1 132.6 -5.1 -17.7 -14.6 45 31 B V E -JK 59 92C 0 14,-2.1 14,-1.1 47,-0.2 2,-0.4 -0.974 16.4-144.9-127.4 142.3 -7.2 -14.8 -13.4 46 32 B M E -JK 58 91C 0 45,-2.7 45,-1.9 -2,-0.4 2,-0.6 -0.893 13.1-149.2-102.5 136.1 -9.7 -12.6 -15.3 47 33 B L E -JK 57 90C 0 10,-2.6 9,-3.0 -2,-0.4 10,-1.4 -0.923 20.4-172.5-107.6 124.2 -10.0 -8.9 -14.3 48 34 B F E -JK 55 89C 8 41,-3.3 41,-2.2 -2,-0.6 2,-0.5 -0.863 27.9-130.4-119.0 151.8 -13.4 -7.4 -14.8 49 35 B R E > -JK 54 88C 66 5,-2.5 5,-1.6 -2,-0.3 39,-0.2 -0.835 24.6-142.7 -92.3 130.2 -15.0 -4.0 -14.6 50 36 B K T 5S+ 0 0 80 37,-2.7 3,-0.3 -2,-0.5 -1,-0.1 0.934 76.6 53.2 -61.9 -51.7 -18.1 -4.3 -12.4 51 36AB S T 5S+ 0 0 102 1,-0.4 -1,-0.2 36,-0.4 2,-0.1 -0.950 119.9 17.7-145.9 120.4 -20.3 -1.9 -14.3 52 37 B P T 5S- 0 0 81 0, 0.0 -1,-0.4 0, 0.0 2,-0.2 0.615 108.5-119.1 -70.9 149.6 -20.8 -2.1 -17.1 53 38 B Q T 5 + 0 0 131 -3,-0.3 2,-0.3 -2,-0.1 -3,-0.2 -0.401 48.9 163.8 -60.3 127.2 -19.5 -5.7 -16.8 54 39 B E E < -J 49 0C 75 -5,-1.6 -5,-2.5 -2,-0.2 2,-0.7 -0.956 43.5-126.1-154.2 123.0 -16.4 -5.8 -19.0 55 40 B L E +J 48 0C 49 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.636 37.8 172.7 -70.1 115.2 -13.5 -8.2 -19.3 56 41 B L E - 0 0 18 -9,-3.0 2,-0.3 -2,-0.7 -8,-0.2 0.875 45.4 -33.6 -93.4 -47.7 -10.6 -5.9 -18.9 57 42 B b E -J 47 0C 8 -10,-1.4 -10,-2.6 170,-0.1 -1,-0.3 -0.910 57.0 -90.9-161.7-176.8 -7.3 -7.8 -18.6 58 43 B G E +J 46 0C 5 170,-3.1 12,-0.4 -2,-0.3 2,-0.3 -0.531 38.0 168.3-103.1 174.3 -5.6 -10.9 -17.5 59 44 B A E -J 45 0C 0 -14,-1.1 -14,-2.1 -2,-0.2 2,-0.3 -0.917 23.8-121.7-171.5 177.9 -3.8 -11.4 -14.1 60 45 B S E -JL 44 68C 0 8,-2.3 8,-2.8 -2,-0.3 2,-0.5 -0.991 14.6-123.0-143.0 148.8 -2.4 -14.3 -12.1 61 46 B L E + L 0 67C 0 -18,-2.2 86,-2.3 -2,-0.3 6,-0.2 -0.798 29.0 168.5 -92.7 122.2 -3.0 -15.9 -8.6 62 47 B I - 0 0 24 4,-2.2 2,-0.3 -2,-0.5 5,-0.2 0.501 69.4 -4.7-112.2 -6.7 0.1 -16.0 -6.5 63 48 B S S S- 0 0 34 3,-1.0 3,-0.3 85,-0.1 -1,-0.3 -0.922 90.3 -78.9-165.6 179.6 -1.5 -16.9 -3.1 64 49 B D S S+ 0 0 49 -2,-0.3 74,-2.7 1,-0.2 72,-0.1 0.665 129.2 22.1 -67.8 -10.8 -5.0 -17.4 -1.7 65 50 B R S S+ 0 0 95 72,-0.2 69,-3.0 1,-0.1 2,-0.4 0.402 107.2 77.7-138.0 7.0 -5.4 -13.7 -1.5 66 51 B W E - M 0 133C 19 -3,-0.3 -4,-2.2 67,-0.2 -3,-1.0 -0.967 48.9-171.0-124.7 138.6 -3.0 -11.9 -3.8 67 52 B V E -LM 61 132C 0 65,-2.4 65,-2.4 -2,-0.4 2,-0.4 -0.975 11.5-147.8-128.0 137.3 -3.2 -11.4 -7.6 68 53 B L E +LM 60 131C 0 -8,-2.8 -8,-2.3 -2,-0.4 2,-0.2 -0.840 29.1 149.4-105.8 139.2 -0.6 -10.0 -9.8 69 54 B T E - M 0 130C 0 61,-2.5 61,-2.2 -2,-0.4 2,-0.3 -0.876 48.7 -75.6-151.6-176.1 -1.3 -7.9 -13.0 70 55 B A > - 0 0 0 -12,-0.4 3,-1.2 -2,-0.2 4,-0.5 -0.740 33.6-133.1 -89.3 142.2 -0.0 -5.1 -15.2 71 56 B A G >> S+ 0 0 0 -2,-0.3 4,-2.9 1,-0.2 3,-1.5 0.860 102.9 64.6 -62.1 -33.7 -0.3 -1.6 -13.9 72 57 B H G 34 S+ 0 0 3 1,-0.3 -1,-0.2 2,-0.2 156,-0.0 0.655 92.1 63.8 -69.2 -8.9 -1.7 -0.3 -17.2 73 58 B b G <4 S+ 0 0 1 -3,-1.2 -1,-0.3 1,-0.1 -2,-0.2 0.791 117.2 27.5 -79.1 -25.9 -4.8 -2.5 -16.7 74 59 B L T <4 S+ 0 0 0 -3,-1.5 9,-1.9 -4,-0.5 2,-0.4 0.728 130.9 32.3-104.1 -31.2 -5.6 -0.4 -13.6 75 60 B L E < +P 82 0D 34 -4,-2.9 -1,-0.2 7,-0.2 7,-0.2 -0.908 62.0 123.7-137.1 107.7 -4.0 3.0 -14.4 76 60AB Y E > > -P 81 0D 24 5,-2.9 3,-1.9 -2,-0.4 5,-1.5 -0.574 32.7-168.1-159.7 84.5 -3.7 4.4 -17.9 77 60BB P G > 5S+ 0 0 57 0, 0.0 3,-2.4 0, 0.0 5,-0.1 0.823 82.6 64.4 -47.4 -40.4 -5.4 7.9 -18.1 78 60CB P G 3 5S+ 0 0 78 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.794 108.8 42.7 -59.0 -24.2 -5.3 8.2 -21.9 79 60DB W G < 5S- 0 0 127 -3,-1.9 3,-0.1 2,-0.1 -4,-0.0 0.181 122.5-108.2-104.2 15.2 -7.7 5.2 -22.0 80 60EB D T < 5S+ 0 0 132 -3,-2.4 2,-0.5 1,-0.2 -5,-0.0 0.896 71.6 145.0 59.9 43.4 -9.7 6.6 -19.1 81 60FB K E < +P 76 0D 33 -5,-1.5 -5,-2.9 1,-0.1 -1,-0.2 -0.949 5.9 127.8-117.5 114.3 -8.5 3.9 -16.7 82 60GB N E -P 75 0D 117 -2,-0.5 -7,-0.2 -7,-0.2 -8,-0.1 -0.386 38.9-177.0-159.5 67.9 -7.9 4.9 -13.1 83 60HB F - 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