==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 19-SEP-12 4H6T . COMPND 2 MOLECULE: PROTHROMBIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR N.POZZI,Z.CHEN,F.ZAPATA,L.A.PELC,E.DI CERA . 293 2 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14214.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 187 63.8 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 . 77 26.3 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 . 1 0.3 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 . 1 0.3 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 . 23 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 26 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.4 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 0 1 1 0 0 0 0 0 0 0 1 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 . 1 5 0 2 4 2 1 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 1SA T 0 0 201 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 60.8 -23.9 0.7 3.2 2 1RA S - 0 0 35 2,-0.0 2,-0.1 249,-0.0 249,-0.1 -0.973 360.0-129.2-121.8 114.0 -26.9 -1.6 3.6 3 1QA E + 0 0 145 -2,-0.5 2,-0.3 247,-0.2 0, 0.0 -0.358 29.8 172.7 -77.7 138.6 -26.0 -4.9 5.0 4 1PA Y - 0 0 41 -2,-0.1 2,-1.0 14,-0.0 16,-0.0 -0.912 22.5-148.9-146.0 115.4 -26.9 -8.3 3.6 5 1OA Q - 0 0 176 -2,-0.3 -2,-0.0 1,-0.0 13,-0.0 -0.714 26.6-133.4 -79.7 99.6 -25.7 -11.8 4.7 6 1NA T - 0 0 74 -2,-1.0 12,-0.0 1,-0.1 3,-0.0 -0.225 20.1-170.8 -51.5 145.1 -25.7 -14.0 1.6 7 1MA F + 0 0 87 160,-0.1 2,-0.2 2,-0.0 -1,-0.1 0.743 55.6 68.5-108.4 -36.3 -27.3 -17.5 2.1 8 1LA F S S- 0 0 8 1,-0.1 9,-0.1 5,-0.0 278,-0.0 -0.560 81.4-108.6 -98.6 151.4 -26.5 -19.5 -1.0 9 1KA N >> - 0 0 78 -2,-0.2 4,-3.3 1,-0.2 3,-1.6 -0.643 21.0-146.4 -71.5 116.3 -23.3 -21.0 -2.6 10 1JA P H 3> S+ 0 0 87 0, 0.0 4,-0.9 0, 0.0 -1,-0.2 0.732 96.7 70.1 -56.4 -19.9 -22.4 -18.9 -5.7 11 1IA R H 34 S+ 0 0 128 2,-0.1 4,-0.1 1,-0.1 -2,-0.0 0.896 118.1 16.5 -62.0 -41.2 -21.1 -22.2 -7.1 12 1HA T H <4 S+ 0 0 0 -3,-1.6 -1,-0.1 2,-0.1 3,-0.1 0.782 128.1 52.0-101.1 -36.4 -24.7 -23.6 -7.4 13 1GA F H < S- 0 0 4 -4,-3.3 70,-0.5 1,-0.2 71,-0.4 0.603 98.2-135.6 -75.1 -13.7 -26.8 -20.4 -7.1 14 1FA G < - 0 0 3 -4,-0.9 3,-0.3 -5,-0.4 -1,-0.2 -0.379 42.0 -55.8 74.9-171.9 -24.9 -18.5 -9.8 15 1EA S S S+ 0 0 64 1,-0.1 67,-1.8 -2,-0.1 68,-0.2 -0.574 96.2 75.2 -99.2 165.7 -24.1 -14.9 -9.0 16 1DA G + 0 0 14 65,-0.2 3,-0.5 -2,-0.2 -1,-0.1 0.058 60.4 103.5 130.8 -22.1 -26.3 -12.0 -7.9 17 1CA E S > S+ 0 0 15 -3,-0.3 3,-2.2 1,-0.2 -2,-0.1 0.871 74.3 58.6 -60.1 -46.7 -27.1 -12.6 -4.3 18 1BA A T 3 S+ 0 0 66 1,-0.3 -1,-0.2 -12,-0.0 -14,-0.0 0.865 117.9 33.3 -56.7 -36.9 -24.7 -10.1 -2.6 19 1AA D T > S+ 0 0 59 -3,-0.5 3,-0.9 146,-0.0 -1,-0.3 0.135 93.0 144.6-101.7 20.9 -26.3 -7.2 -4.5 20 1 A a T < + 0 0 1 -3,-2.2 145,-0.2 1,-0.2 146,-0.1 -0.160 59.9 12.6 -67.3 150.2 -29.9 -8.7 -4.6 21 2 A G T 3 S+ 0 0 0 143,-3.1 233,-2.8 1,-0.2 2,-0.5 0.664 90.5 114.7 64.2 19.0 -33.0 -6.6 -4.3 22 3 A L < - 0 0 12 -3,-0.9 -1,-0.2 142,-0.3 231,-0.1 -0.997 60.4-140.6-116.4 120.9 -31.4 -3.2 -4.8 23 4 A R > > - 0 0 0 -2,-0.5 5,-2.2 1,-0.1 3,-1.2 -0.681 5.2-144.9 -86.9 132.6 -32.6 -1.6 -8.0 24 5 A P T 3 5S+ 0 0 24 0, 0.0 -1,-0.1 0, 0.0 136,-0.1 0.863 102.3 46.2 -61.8 -38.2 -30.1 0.3 -10.3 25 6 A L T 3 5S+ 0 0 26 135,-0.5 33,-0.1 32,-0.3 7,-0.1 0.405 131.4 15.2 -87.3 4.6 -32.7 2.8 -11.4 26 7 A F T X >S+ 0 0 12 -3,-1.2 5,-2.9 31,-0.1 3,-1.1 0.352 127.9 29.3-136.8 -90.8 -33.9 3.4 -7.8 27 8 A E T 3 5S+ 0 0 19 1,-0.3 3,-0.3 3,-0.2 -2,-0.1 0.719 124.6 50.0 -52.4 -24.4 -32.2 2.3 -4.5 28 9 A K T 3 > S+ 0 0 11 2,-0.1 3,-0.7 1,-0.1 4,-0.5 0.511 83.8 99.1-123.6 -4.2 -45.9 4.1 -4.9 36 14CA E G >4 S+ 0 0 12 -3,-0.5 3,-0.7 1,-0.2 4,-0.3 0.749 83.0 57.1 -60.3 -26.6 -43.4 2.6 -2.5 37 14DA R G >4>S+ 0 0 116 -4,-0.4 3,-2.6 1,-0.2 5,-1.7 0.876 94.3 67.4 -71.1 -33.9 -44.2 5.0 0.3 38 14EA A G X45S+ 0 0 13 -3,-0.7 3,-1.3 1,-0.3 -1,-0.2 0.753 90.9 63.4 -50.7 -27.2 -47.8 3.8 -0.0 39 14FA L G <<5S+ 0 0 20 -3,-0.7 143,-0.6 -4,-0.5 -1,-0.3 0.696 99.1 53.7 -71.4 -19.9 -46.4 0.5 1.3 40 14GA L G < 5S- 0 0 125 -3,-2.6 -1,-0.3 -4,-0.3 -2,-0.2 0.259 124.3-111.3 -92.9 8.3 -45.6 2.4 4.4 41 14HA E T < 5S+ 0 0 116 -3,-1.3 2,-0.5 1,-0.2 -3,-0.2 0.612 80.6 128.4 71.7 17.3 -49.2 3.5 4.5 42 14IA S < - 0 0 34 -5,-1.7 2,-0.5 -6,-0.1 -2,-0.2 -0.896 43.3-161.5-111.2 125.5 -48.1 7.1 3.6 43 14JA Y + 0 0 110 -2,-0.5 4,-0.1 1,-0.1 -8,-0.1 -0.924 19.7 161.5-121.4 116.0 -49.7 8.9 0.7 44 14KA I S S+ 0 0 120 -2,-0.5 -1,-0.1 2,-0.2 3,-0.1 0.791 74.4 33.7-108.1 -40.7 -47.9 11.9 -0.8 45 14LA A S S- 0 0 109 1,-0.3 2,-0.1 -11,-0.2 -1,-0.1 0.300 123.3 -77.2-105.4 9.9 -49.2 12.7 -4.3 46 14MA G - 0 0 45 0, 0.0 -1,-0.3 0, 0.0 2,-0.3 -0.091 65.8 -52.9 110.2 149.6 -52.8 11.7 -3.6 47 15 A R - 0 0 202 1,-0.1 -4,-0.0 -4,-0.1 0, 0.0 -0.416 50.3-156.2 -56.7 113.7 -54.6 8.3 -3.3 48 16 A I - 0 0 105 -2,-0.3 -1,-0.1 2,-0.1 3,-0.1 0.887 24.6-140.9 -64.1 -44.8 -53.7 6.6 -6.6 49 17 A V - 0 0 64 1,-0.2 183,-0.2 183,-0.2 184,-0.1 0.545 52.2 -12.7 83.1 132.0 -56.7 4.1 -6.7 50 18 A A S S- 0 0 34 181,-0.4 149,-0.4 183,-0.1 2,-0.3 -0.270 112.6 -34.7 52.8-126.9 -56.8 0.4 -7.9 51 19 A G - 0 0 17 147,-0.1 2,-0.3 182,-0.1 147,-0.2 -0.836 62.2-163.3-120.7 165.2 -53.5 -0.5 -9.7 52 20 A S E -A 197 0A 26 145,-2.1 145,-3.4 -2,-0.3 2,-0.2 -0.841 30.1 -69.0-144.7 176.2 -51.2 1.6 -11.9 53 21 A D E -A 196 0A 102 -2,-0.3 143,-0.2 143,-0.2 2,-0.1 -0.444 45.6-126.2 -74.0 136.2 -48.3 1.5 -14.4 54 22 A A - 0 0 6 141,-3.6 2,-0.2 -2,-0.2 -1,-0.1 -0.473 25.9-117.7 -74.8 152.6 -44.9 0.4 -13.3 55 23 A E > - 0 0 49 1,-0.1 3,-2.1 -2,-0.1 4,-0.3 -0.593 44.0 -77.7 -85.3 152.9 -42.0 2.8 -14.0 56 24 A I T 3 S+ 0 0 83 1,-0.3 -1,-0.1 -2,-0.2 57,-0.1 -0.308 119.6 6.6 -40.5 121.7 -39.1 1.8 -16.2 57 25 A G T 3 S+ 0 0 11 54,-0.1 -32,-0.3 2,-0.1 -1,-0.3 0.581 88.6 125.5 82.9 14.9 -36.9 -0.5 -14.0 58 26 A M S < S+ 0 0 6 -3,-2.1 -2,-0.1 1,-0.3 -25,-0.1 0.667 84.1 24.9 -80.4 -15.4 -39.2 -0.7 -11.0 59 27 A S > + 0 0 13 -4,-0.3 3,-2.1 102,-0.1 -1,-0.3 -0.528 67.3 165.9-152.3 59.6 -39.2 -4.4 -11.0 60 28 A P T 3 S+ 0 0 3 0, 0.0 103,-2.1 0, 0.0 99,-0.1 0.474 74.7 64.7 -73.3 3.2 -36.0 -5.6 -12.6 61 29 A W T 3 S+ 0 0 2 101,-0.2 18,-1.8 103,-0.1 2,-0.2 0.338 75.3 122.3 -95.8 2.8 -36.5 -9.2 -11.3 62 30 A Q E < -I 78 0B 9 -3,-2.1 49,-1.0 16,-0.2 2,-0.4 -0.486 39.7-176.8 -72.6 129.9 -39.7 -9.6 -13.4 63 31 A V E -IJ 77 110B 0 14,-2.3 14,-1.2 -2,-0.2 2,-0.4 -0.996 15.8-147.5-131.0 130.8 -39.6 -12.5 -15.7 64 32 A M E -IJ 76 109B 3 45,-3.5 45,-2.2 -2,-0.4 2,-0.6 -0.823 10.5-146.7 -98.0 136.3 -42.2 -13.5 -18.3 65 33 A L E -IJ 75 108B 0 10,-2.8 9,-2.4 -2,-0.4 10,-1.3 -0.901 21.8-172.4-104.1 118.6 -42.7 -17.2 -19.0 66 34 A F E -IJ 73 107B 2 41,-3.3 41,-1.9 -2,-0.6 2,-0.5 -0.813 29.4-123.8-110.8 147.5 -43.7 -17.9 -22.6 67 35 A R E > -IJ 72 106B 78 5,-2.6 5,-1.2 -2,-0.3 39,-0.3 -0.821 30.0-137.7 -78.0 126.4 -44.8 -21.0 -24.6 68 36 A K E > 5S+I 71 0B 97 37,-2.8 3,-0.5 -2,-0.5 38,-0.1 0.875 78.6 44.7 -49.7 -52.1 -42.3 -21.2 -27.5 69 36AA S T 3 5S+ 0 0 103 1,-0.5 -1,-0.2 36,-0.4 2,-0.1 -0.907 121.0 22.8-157.4 114.5 -44.7 -22.1 -30.3 70 37 A P T 3 5S- 0 0 90 0, 0.0 -1,-0.5 0, 0.0 2,-0.2 0.456 103.7-124.5 -81.2 143.1 -47.1 -20.8 -30.6 71 38 A Q E < 5 +I 68 0B 123 -3,-0.5 2,-0.3 -2,-0.1 -3,-0.2 -0.280 48.1 155.1 -48.9 108.9 -45.7 -17.7 -28.6 72 39 A E E < -I 67 0B 84 -5,-1.2 -5,-2.6 -2,-0.2 2,-0.7 -0.997 48.4-111.7-141.5 146.5 -48.1 -17.1 -25.8 73 40 A L E +I 66 0B 52 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.657 38.8 170.4 -78.3 113.7 -47.8 -15.5 -22.4 74 41 A L E - 0 0 31 -9,-2.4 2,-0.3 -2,-0.7 -8,-0.2 0.908 51.0 -34.9 -87.4 -50.3 -48.2 -18.3 -19.8 75 42 A b E -I 65 0B 11 -10,-1.3 -10,-2.8 164,-0.1 -1,-0.3 -0.948 54.9 -94.6-164.6 166.6 -47.2 -16.8 -16.4 76 43 A G E +I 64 0B 3 164,-2.8 12,-0.5 -2,-0.3 2,-0.3 -0.510 37.9 173.0 -89.2 172.4 -45.1 -14.5 -14.4 77 44 A A E -I 63 0B 0 -14,-1.2 -14,-2.3 -2,-0.2 2,-0.3 -0.955 21.3-124.6-168.9 170.0 -41.8 -15.5 -12.7 78 45 A S E -IK 62 86B 0 8,-2.6 8,-2.9 -2,-0.3 2,-0.6 -0.949 14.0-127.2-135.8 153.5 -39.0 -13.8 -10.8 79 46 A L E + K 0 85B 0 -18,-1.8 86,-2.1 -2,-0.3 6,-0.2 -0.855 27.0 169.0-102.4 123.3 -35.2 -13.8 -11.1 80 47 A I - 0 0 1 4,-1.9 2,-0.2 -2,-0.6 5,-0.2 0.543 70.0 -3.7-108.5 -9.2 -33.3 -14.7 -8.0 81 48 A S S S- 0 0 0 3,-1.2 -65,-0.2 -65,-0.1 -67,-0.1 -0.848 85.3 -87.6-159.3-172.6 -29.8 -15.1 -9.5 82 49 A D S S+ 0 0 21 -67,-1.8 74,-2.3 -2,-0.2 -68,-0.1 0.602 128.6 31.0 -82.1 -3.8 -28.3 -14.9 -12.9 83 50 A R S S+ 0 0 61 -70,-0.5 69,-2.8 -68,-0.2 2,-0.4 0.588 109.9 66.8-127.3 -27.0 -29.0 -18.6 -13.3 84 51 A W E - 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