==== 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 23-FEB-04 1SG8 . COMPND 2 MOLECULE: THROMBIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.O.PINEDA,C.J.CARRELL,L.A.BUSH,S.PRASAD,S.CACCIA,Z.W.CHEN, . 556 6 8 6 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24680.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 346 62.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 1.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 154 27.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 42 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 59 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 55 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 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 2 2 1 2 1 0 2 0 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 . 8 9 1 7 6 4 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 . 2 0 0 0 0 2 0 2 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 0 134 0, 0.0 146,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -80.2 26.5 43.5 78.0 2 1AA D > + 0 0 74 144,-0.0 3,-0.8 2,-0.0 2,-0.1 0.002 360.0 143.7 -93.3 22.5 22.9 44.1 76.8 3 1 A a T 3 + 0 0 26 1,-0.2 143,-0.2 143,-0.1 144,-0.1 -0.392 50.2 25.6 -78.8 148.0 22.5 40.6 75.6 4 2 A G T 3 S+ 0 0 0 141,-2.0 238,-1.4 237,-0.2 2,-0.7 0.451 85.6 117.2 89.0 8.6 19.4 38.3 75.7 5 3 A L < - 0 0 25 -3,-0.8 -1,-0.2 140,-0.3 236,-0.1 -0.902 58.8-141.5-110.6 106.7 16.9 41.2 75.7 6 4 A R > > - 0 0 0 -2,-0.7 3,-2.2 1,-0.1 5,-1.9 -0.514 3.8-145.0 -72.4 117.4 14.6 41.3 72.6 7 5 A P T 3 5S+ 0 0 10 0, 0.0 -1,-0.1 0, 0.0 134,-0.1 0.843 102.1 43.7 -46.7 -41.4 13.9 44.8 71.4 8 6 A L T 3 5S+ 0 0 36 133,-0.5 -2,-0.1 30,-0.3 31,-0.1 0.499 129.9 21.3 -87.4 -1.5 10.4 43.8 70.4 9 7 A F T X >S+ 0 0 14 -3,-2.2 5,-2.7 29,-0.1 3,-1.1 0.579 127.6 24.2-125.4 -81.3 9.7 41.9 73.6 10 8 A E G > 5S+ 0 0 26 1,-0.3 3,-1.3 3,-0.2 -5,-0.1 0.900 119.9 58.7 -58.7 -42.7 11.6 42.3 76.8 11 9 A K G 3 > S+ 0 0 40 2,-0.1 3,-1.4 1,-0.1 4,-0.9 0.412 84.4 103.9-130.4 7.7 5.0 30.7 74.2 19 14CA E H 3> S+ 0 0 2 -3,-0.3 4,-1.9 1,-0.3 3,-0.4 0.811 79.2 67.3 -60.7 -26.7 7.8 31.9 76.5 20 14DA R H 3> S+ 0 0 143 -4,-0.4 4,-1.6 1,-0.2 -1,-0.3 0.787 90.3 60.6 -63.8 -30.1 5.5 31.3 79.4 21 14EA E H <> S+ 0 0 50 -3,-1.4 4,-1.3 2,-0.2 -1,-0.2 0.918 106.8 48.9 -61.8 -40.3 5.6 27.5 78.8 22 14FA L H >< S+ 0 0 0 -4,-0.9 3,-0.6 -3,-0.4 4,-0.5 0.939 107.5 51.2 -62.6 -52.9 9.3 27.9 79.4 23 14GA L H 3< S+ 0 0 40 -4,-1.9 3,-0.5 1,-0.2 -1,-0.2 0.805 111.6 50.9 -58.1 -28.5 9.0 29.8 82.6 24 14HA E H >< S+ 0 0 128 -4,-1.6 3,-2.3 1,-0.2 -1,-0.2 0.769 90.8 72.5 -82.4 -26.4 6.6 27.2 83.9 25 14IA S T << S+ 0 0 20 -4,-1.3 -1,-0.2 -3,-0.6 -2,-0.2 0.695 86.7 72.0 -61.4 -13.3 8.8 24.2 83.2 26 14JA Y T 3 0 0 29 -4,-0.5 -1,-0.3 -3,-0.5 -2,-0.2 0.618 360.0 360.0 -77.4 -12.3 10.8 25.5 86.1 27 14KA I < 0 0 177 -3,-2.3 -2,-0.1 -4,-0.0 -3,-0.0 0.478 360.0 360.0 -86.8 360.0 8.1 24.4 88.6 28 !* 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 29 16 B I > 0 0 0 0, 0.0 3,-0.5 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 122.4 11.7 22.1 63.1 30 17 B V B 3 +A 222 0A 11 192,-3.1 192,-1.0 1,-0.2 143,-0.1 -0.789 360.0 3.5 -96.8 135.5 9.1 19.3 63.4 31 18 B E T 3 S+ 0 0 124 141,-0.5 -1,-0.2 -2,-0.4 189,-0.1 0.817 103.3 128.8 62.6 31.5 5.7 20.1 65.1 32 19 B G < - 0 0 26 -3,-0.5 2,-0.3 154,-0.1 154,-0.2 -0.304 50.1-130.8-102.5-170.3 6.7 23.7 65.6 33 20 B S E -B 185 0B 72 152,-2.0 152,-2.4 -2,-0.1 -3,-0.0 -0.917 36.1 -74.7-139.5 164.7 4.9 26.9 64.7 34 21 B D E -B 184 0B 106 -2,-0.3 2,-0.2 150,-0.2 150,-0.2 -0.333 51.3-118.9 -60.6 142.0 5.8 30.1 62.9 35 22 B A - 0 0 5 148,-2.1 148,-0.1 59,-0.1 -1,-0.1 -0.568 24.2-116.6 -82.2 144.3 8.0 32.4 64.8 36 23 B E > - 0 0 47 -2,-0.2 3,-1.9 1,-0.1 4,-0.4 -0.425 47.2 -83.4 -73.2 157.5 6.7 35.9 65.7 37 24 B I T 3 S+ 0 0 89 1,-0.3 -1,-0.1 2,-0.1 57,-0.1 -0.439 117.2 8.1 -64.6 128.7 8.7 38.8 64.2 38 25 B G T 3 S+ 0 0 13 -2,-0.2 -30,-0.3 104,-0.1 -1,-0.3 0.640 89.9 125.5 76.1 13.0 11.7 39.5 66.4 39 26 B M S < S+ 0 0 7 -3,-1.9 -2,-0.1 1,-0.3 -33,-0.1 0.831 85.9 23.8 -71.6 -32.9 11.1 36.4 68.5 40 27 B S S > S+ 0 0 11 -4,-0.4 3,-2.5 1,-0.1 -1,-0.3 -0.526 70.1 167.6-131.9 64.7 14.7 35.2 67.8 41 28 B P T 3 S+ 0 0 2 0, 0.0 103,-1.4 0, 0.0 51,-0.2 0.640 78.6 55.9 -55.5 -14.5 16.7 38.3 66.9 42 29 B W T 3 S+ 0 0 1 101,-0.2 18,-2.1 103,-0.1 104,-0.1 0.519 76.5 122.8 -95.6 -7.2 19.9 36.3 67.3 43 30 B Q E < -J 59 0C 2 -3,-2.5 49,-0.9 16,-0.2 2,-0.4 -0.328 45.1-164.2 -57.9 128.3 18.9 33.6 64.8 44 31 B V E -JK 58 91C 0 14,-3.0 14,-1.4 47,-0.2 2,-0.6 -0.926 14.0-146.2-120.7 144.6 21.5 33.4 62.0 45 32 B M E -JK 57 90C 0 45,-2.6 45,-3.0 -2,-0.4 2,-0.7 -0.931 10.5-148.9-110.2 116.5 21.3 31.8 58.6 46 33 B L E -JK 56 89C 0 10,-2.2 9,-2.1 -2,-0.6 10,-0.9 -0.753 23.8-164.9 -85.4 116.6 24.6 30.2 57.2 47 34 B F E -JK 54 88C 4 41,-3.0 41,-2.5 -2,-0.7 2,-0.6 -0.890 19.8-134.1-114.8 134.5 24.4 30.6 53.5 48 35 B R E > -JK 53 87C 75 5,-3.1 5,-0.9 -2,-0.4 39,-0.2 -0.721 13.5-150.5 -83.6 115.8 26.4 28.9 50.8 49 36 B K T 5S+ 0 0 78 37,-2.6 3,-0.4 -2,-0.6 -1,-0.2 0.898 76.6 47.5 -50.6 -49.8 27.6 31.5 48.2 50 36AB S T 5S+ 0 0 100 36,-0.5 -1,-0.2 1,-0.4 2,-0.1 -0.889 118.0 20.4-155.8 120.4 27.7 29.1 45.3 51 37 B P T 5S- 0 0 74 0, 0.0 -1,-0.4 0, 0.0 -3,-0.1 0.457 105.5-112.6 -78.2 148.3 25.6 27.3 44.6 52 38 B Q T 5 + 0 0 79 -3,-0.4 2,-0.3 -2,-0.1 -3,-0.2 -0.129 58.3 149.3 -43.1 127.2 23.0 29.3 46.6 53 39 B E E < -J 48 0C 74 -5,-0.9 -5,-3.1 466,-0.1 2,-0.9 -0.904 53.1-120.8-171.6 138.7 22.0 27.1 49.5 54 40 B L E +J 47 0C 34 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.725 37.5 170.1 -82.3 106.8 20.8 27.1 53.2 55 41 B L E - 0 0 19 -9,-2.1 2,-0.2 -2,-0.9 171,-0.2 0.968 50.0 -31.5 -84.1 -61.8 23.5 25.2 55.0 56 42 B b E -J 46 0C 3 -10,-0.9 -10,-2.2 171,-0.1 -1,-0.2 -0.813 54.0-101.2-146.7-174.7 22.9 25.6 58.8 57 43 B G E +J 45 0C 3 171,-3.3 12,-0.4 -2,-0.2 2,-0.3 -0.626 38.0 169.4-107.9 169.9 21.6 27.8 61.5 58 44 B A E -J 44 0C 0 -14,-1.4 -14,-3.0 -2,-0.2 2,-0.4 -0.950 25.1-112.6-166.8 180.0 23.7 29.8 63.9 59 45 B S E -JL 43 67C 0 8,-2.7 8,-2.7 -2,-0.3 2,-0.7 -0.983 14.1-129.8-135.7 143.1 23.5 32.5 66.5 60 46 B L E + L 0 66C 0 -18,-2.1 86,-2.3 -2,-0.4 6,-0.2 -0.799 29.6 169.1 -88.8 116.9 24.6 36.1 66.9 61 47 B I - 0 0 19 4,-2.4 2,-0.3 -2,-0.7 87,-0.2 0.576 68.2 -8.9-104.6 -13.9 26.6 36.4 70.2 62 48 B S S S- 0 0 37 3,-1.1 -1,-0.3 85,-0.1 75,-0.1 -0.921 87.1 -82.8-164.7 178.3 28.0 39.9 69.6 63 49 B D S S+ 0 0 49 -2,-0.3 74,-2.4 1,-0.2 3,-0.1 0.423 130.1 32.9 -76.2 8.4 28.2 42.4 66.8 64 50 B R S S+ 0 0 81 72,-0.2 69,-2.5 1,-0.2 2,-0.4 0.553 107.4 68.2-134.4 -19.2 31.2 40.5 65.6 65 51 B W E - M 0 132C 9 67,-0.2 -4,-2.4 65,-0.0 -3,-1.1 -0.900 47.9-169.7-119.3 142.6 30.8 36.8 66.4 66 52 B V E -LM 60 131C 0 65,-1.9 65,-1.6 -2,-0.4 2,-0.3 -0.986 12.9-151.6-125.3 130.9 28.5 34.0 65.2 67 53 B L E +LM 59 130C 0 -8,-2.7 -8,-2.7 -2,-0.4 2,-0.3 -0.803 28.2 145.4-103.1 143.9 28.2 30.6 66.9 68 54 B T E - M 0 129C 0 61,-1.9 61,-1.9 -2,-0.3 -10,-0.1 -0.922 49.0 -70.9-160.6 179.1 27.3 27.4 65.1 69 55 B A > - 0 0 0 -12,-0.4 4,-0.6 -2,-0.3 3,-0.4 -0.425 33.8-130.2 -80.0 158.8 28.0 23.7 65.1 70 56 B A H >> S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 3,-0.6 0.840 103.8 61.0 -78.7 -34.6 31.3 22.3 63.8 71 57 B H H 34 S+ 0 0 23 1,-0.2 -1,-0.2 2,-0.2 9,-0.1 0.586 95.6 65.9 -69.3 -9.3 29.8 19.7 61.5 72 58 B b H 34 S+ 0 0 0 -3,-0.4 -1,-0.2 1,-0.1 -2,-0.2 0.883 114.0 27.4 -76.5 -41.6 28.2 22.6 59.6 73 59 B L H << S+ 0 0 1 -3,-0.6 9,-1.9 -4,-0.6 2,-0.4 0.758 134.0 26.6 -90.2 -31.3 31.5 24.0 58.5 74 60 B L E < +P 81 0D 43 -4,-2.6 -1,-0.3 7,-0.2 7,-0.2 -0.937 59.9 129.5-145.5 121.8 33.5 20.7 58.5 75 60AB Y E > > -P 80 0D 55 5,-3.5 5,-2.7 -2,-0.4 3,-1.3 -0.597 25.5-170.1-167.1 93.1 32.5 17.1 58.0 76 60BB P G > 5S+ 0 0 44 0, 0.0 3,-0.9 0, 0.0 5,-0.1 0.666 77.7 78.3 -64.7 -22.2 34.4 15.0 55.5 77 60CB P G 3 5S+ 0 0 70 0, 0.0 44,-0.0 0, 0.0 0, 0.0 0.701 114.0 28.1 -62.7 -10.5 32.1 12.0 55.5 78 60DB W G < 5S- 0 0 162 -3,-1.3 3,-0.1 2,-0.2 0, 0.0 0.210 118.5-117.2-123.7 2.5 30.1 14.3 53.3 79 60EB D T < 5 + 0 0 146 -3,-0.9 2,-0.5 1,-0.3 0, 0.0 0.774 61.2 155.6 61.0 30.1 33.2 16.1 52.1 80 60FB K E < +P 75 0D 37 -5,-2.7 -5,-3.5 -9,-0.1 -1,-0.3 -0.775 3.9 139.2 -87.9 124.7 31.9 19.3 53.6 81 60GB N E -P 74 0D 112 -2,-0.5 -7,-0.2 -7,-0.2 -8,-0.1 -0.419 27.6-174.4-169.7 80.8 34.8 21.6 54.4 82 60HB F - 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