==== 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 01-AUG-06 2HWL . COMPND 2 MOLECULE: PROTHROMBIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.O.PINEDA,Z.W.CHEN,F.MARINO,F.S.MATHEWS,M.W.MOSESSON,E.DI C . 575 7 8 6 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24755.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 347 60.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 144 25.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 1.0 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 . 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 . 41 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 61 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 51 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 2.1 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 2 1 3 0 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 . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 7 10 2 4 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 2 0 2 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 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 1DA G 0 0 101 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 81.1 35.7 -13.8 -9.7 2 1CA E - 0 0 84 1,-0.3 3,-0.4 144,-0.0 2,-0.3 -0.024 360.0 -88.2 177.3 4.4 33.3 -11.0 -8.6 3 1BA A S S- 0 0 75 1,-0.2 -1,-0.3 2,-0.1 58,-0.0 -0.781 70.6 -54.7 101.9-143.9 36.0 -8.5 -9.6 4 1AA D S > S+ 0 0 67 -2,-0.3 3,-1.3 -3,-0.1 -1,-0.2 0.328 89.7 148.0-108.4 7.0 38.4 -7.8 -6.8 5 1 A a T 3 + 0 0 8 -3,-0.4 140,-0.3 1,-0.2 141,-0.1 0.120 58.5 20.0 -41.8 150.2 35.6 -6.8 -4.3 6 2 A G T 3 S+ 0 0 0 138,-2.4 235,-1.7 234,-0.2 2,-0.7 0.396 91.8 109.1 70.6 -2.5 35.9 -7.4 -0.6 7 3 A L < - 0 0 31 -3,-1.3 -1,-0.1 137,-0.3 233,-0.1 -0.919 62.8-142.0-110.1 106.8 39.7 -7.8 -0.6 8 4 A R > > - 0 0 0 -2,-0.7 5,-2.2 1,-0.1 3,-1.6 -0.486 6.7-138.7 -72.5 131.7 41.3 -4.8 1.2 9 5 A P T 3 5S+ 0 0 17 0, 0.0 -1,-0.1 0, 0.0 131,-0.1 0.804 102.8 44.2 -56.2 -34.5 44.6 -3.5 -0.4 10 6 A L T 3 5S+ 0 0 28 130,-0.4 28,-0.1 27,-0.4 -2,-0.1 0.315 127.7 19.5 -97.4 7.1 46.2 -2.9 3.1 11 7 A F T X >S+ 0 0 13 -3,-1.6 5,-2.8 26,-0.1 3,-2.1 0.334 127.1 26.7-135.3 -87.7 45.1 -6.2 4.7 12 8 A E G > 5S+ 0 0 31 1,-0.3 3,-2.0 3,-0.2 -5,-0.1 0.920 122.8 54.5 -48.4 -49.5 44.0 -9.3 2.8 13 9 A K G 3 > S+ 0 0 37 2,-0.1 3,-1.4 1,-0.1 4,-0.7 0.495 80.9 98.9-127.7 1.0 39.1 -7.2 15.4 21 14CA E H >> S+ 0 0 13 -3,-0.4 4,-2.2 1,-0.3 3,-0.8 0.822 79.1 65.2 -60.3 -27.7 38.3 -9.5 12.5 22 14DA R H 3> S+ 0 0 128 -4,-0.3 4,-2.9 1,-0.3 -1,-0.3 0.818 93.2 62.5 -62.8 -28.2 39.1 -12.6 14.7 23 14EA E H <4 S+ 0 0 55 -3,-1.4 -1,-0.3 2,-0.2 -2,-0.2 0.866 106.8 44.3 -63.4 -36.9 36.1 -11.6 16.8 24 14FA L H << S+ 0 0 21 -3,-0.8 138,-0.4 -4,-0.7 -2,-0.2 0.957 112.4 50.6 -72.1 -51.2 33.9 -12.1 13.8 25 14GA L H < 0 0 115 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.901 360.0 360.0 -53.3 -43.9 35.5 -15.4 12.8 26 14HA E < 0 0 175 -4,-2.9 -1,-0.3 -5,-0.2 -2,-0.2 0.714 360.0 360.0 -67.6 360.0 35.1 -16.7 16.3 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 3,-0.6 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 125.6 28.7 4.8 16.4 29 17 B V B 3 -A 221 0A 11 192,-2.3 192,-1.5 1,-0.2 143,-0.1 -0.687 360.0 -0.3 -89.3 139.4 28.1 4.2 20.1 30 18 B E T 3 S+ 0 0 131 141,-0.5 -1,-0.2 -2,-0.3 189,-0.2 0.822 101.9 124.3 52.8 37.8 30.6 2.2 22.1 31 19 B G < - 0 0 27 -3,-0.6 2,-0.3 140,-0.1 154,-0.2 -0.221 51.3-127.9-105.5-159.4 32.8 1.6 19.1 32 20 B S E -B 184 0B 61 152,-1.8 152,-2.2 -2,-0.1 -3,-0.0 -0.967 32.5 -72.6-150.4 163.9 36.4 2.3 18.6 33 21 B D E -B 183 0B 109 -2,-0.3 2,-0.3 150,-0.2 150,-0.2 -0.216 49.4-129.0 -57.7 147.6 38.8 4.0 16.2 34 22 B A - 0 0 7 148,-1.8 2,-0.1 59,-0.2 148,-0.1 -0.719 18.3-113.0-100.9 150.7 39.3 2.2 12.9 35 23 B E > - 0 0 45 -2,-0.3 3,-1.9 1,-0.1 4,-0.3 -0.461 44.5 -87.1 -78.7 155.3 42.6 1.4 11.3 36 24 B I T 3 S+ 0 0 90 1,-0.3 -1,-0.1 2,-0.1 57,-0.1 -0.401 115.0 10.2 -62.9 132.7 43.7 3.1 8.1 37 25 B G T 3 S+ 0 0 11 104,-0.1 -27,-0.4 -2,-0.1 -1,-0.3 0.587 91.1 123.1 73.8 11.0 42.4 1.2 5.1 38 26 B M S < S+ 0 0 6 -3,-1.9 -2,-0.1 1,-0.3 -30,-0.1 0.787 85.3 21.4 -73.9 -27.8 40.2 -1.0 7.3 39 27 B S > + 0 0 12 -4,-0.3 3,-2.2 102,-0.1 -1,-0.3 -0.506 69.6 166.2-140.4 66.4 37.0 -0.1 5.4 40 28 B P T 3 S+ 0 0 3 0, 0.0 103,-2.1 0, 0.0 99,-0.1 0.499 75.9 60.1 -61.5 -6.5 38.0 1.2 1.9 41 29 B W T 3 S+ 0 0 2 101,-0.2 18,-2.1 103,-0.1 104,-0.2 0.330 76.1 124.2-103.6 3.9 34.5 1.0 0.7 42 30 B Q E < -G 58 0C 8 -3,-2.2 49,-0.9 16,-0.2 2,-0.4 -0.422 41.6-169.5 -66.7 137.5 33.2 3.4 3.3 43 31 B V E -GH 57 90C 0 14,-2.3 14,-1.1 47,-0.2 2,-0.5 -0.995 15.0-146.2-134.2 139.4 31.4 6.4 1.7 44 32 B M E -GH 56 89C 2 45,-2.5 45,-2.0 -2,-0.4 2,-0.6 -0.898 10.5-151.8-104.5 128.1 30.2 9.7 3.3 45 33 B L E -GH 55 88C 0 10,-2.4 9,-2.9 -2,-0.5 10,-1.3 -0.896 19.5-170.0-102.2 120.2 27.0 11.2 1.9 46 34 B F E -GH 53 87C 12 41,-3.2 41,-1.3 -2,-0.6 2,-0.4 -0.869 25.5-135.4-115.1 142.2 26.9 15.0 2.3 47 35 B R E > -GH 52 86C 82 5,-2.9 5,-1.6 -2,-0.4 39,-0.2 -0.749 25.8-141.1 -83.7 137.1 24.3 17.6 1.9 48 36 B K T 5S+ 0 0 67 37,-3.4 -1,-0.2 -2,-0.4 38,-0.1 0.983 75.4 48.2 -67.7 -55.8 26.0 20.4 -0.1 49 36AB S T 5S+ 0 0 97 1,-0.4 -1,-0.2 36,-0.3 2,-0.1 -0.953 117.3 26.3-143.3 121.2 24.6 23.5 1.6 50 37 B P T 5S- 0 0 80 0, 0.0 -1,-0.4 0, 0.0 -3,-0.1 0.447 109.8-121.8 -66.5 139.4 24.5 23.8 4.4 51 38 B Q T 5 + 0 0 108 -2,-0.1 2,-0.3 -3,-0.1 -3,-0.2 -0.305 51.4 156.4 -53.4 128.9 27.5 21.4 4.4 52 39 B E E < -G 47 0C 70 -5,-1.6 -5,-2.9 -3,-0.0 2,-0.7 -0.946 49.8-120.9-164.5 134.5 26.4 18.4 6.5 53 40 B L E +G 46 0C 21 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.694 37.0 172.0 -77.0 116.1 27.2 14.7 6.9 54 41 B L E - 0 0 17 -9,-2.9 2,-0.3 -2,-0.7 171,-0.2 0.862 50.3 -26.2 -94.9 -42.9 23.9 13.1 6.2 55 42 B b E -G 45 0C 6 -10,-1.3 -10,-2.4 171,-0.1 -1,-0.3 -0.944 57.4 -97.5-160.9 177.2 24.5 9.3 6.1 56 43 B G E +G 44 0C 4 171,-4.0 12,-0.4 -2,-0.3 2,-0.3 -0.524 38.9 172.7 -98.4 173.0 26.9 6.5 5.5 57 44 B A E -G 43 0C 0 -14,-1.1 -14,-2.3 -2,-0.2 2,-0.3 -0.955 21.0-124.0-169.4 167.1 27.1 4.6 2.2 58 45 B S E -GI 42 66C 0 8,-2.9 8,-3.0 -2,-0.3 2,-0.6 -0.949 12.8-126.9-131.3 151.3 29.2 1.9 0.6 59 46 B L E + I 0 65C 0 -18,-2.1 86,-2.6 -2,-0.3 6,-0.2 -0.814 29.3 166.1 -92.4 121.7 31.2 1.5 -2.7 60 47 B I S S- 0 0 21 4,-2.0 2,-0.3 -2,-0.6 5,-0.2 0.468 71.9 -4.8-112.5 -5.5 30.2 -1.6 -4.6 61 48 B S S S- 0 0 31 3,-1.1 3,-0.4 85,-0.1 -1,-0.4 -0.935 86.6 -85.7-170.6 171.0 31.9 -0.6 -7.9 62 49 B D S S+ 0 0 63 -2,-0.3 74,-2.4 1,-0.2 3,-0.1 0.626 128.1 30.5 -67.1 -11.1 33.8 2.4 -9.3 63 50 B R S S+ 0 0 54 72,-0.2 69,-2.9 1,-0.1 2,-0.4 0.449 109.6 73.9-124.9 -3.8 30.5 4.0 -10.4 64 51 B W E - J 0 131C 8 -3,-0.4 -4,-2.0 67,-0.2 -3,-1.1 -0.940 48.5-174.0-124.1 139.5 28.0 2.7 -7.8 65 52 B V E -IJ 59 130C 0 65,-2.2 65,-2.4 -2,-0.4 2,-0.3 -0.978 13.3-149.6-126.6 137.0 27.3 3.5 -4.2 66 53 B L E +IJ 58 129C 0 -8,-3.0 -8,-2.9 -2,-0.4 2,-0.3 -0.807 30.1 141.3-106.7 145.9 24.8 1.8 -2.0 67 54 B T E - J 0 128C 0 61,-2.0 61,-2.2 -2,-0.3 2,-0.2 -0.927 52.1 -68.1-164.6-177.6 23.0 3.4 0.9 68 55 B A > - 0 0 0 -12,-0.4 3,-0.8 -2,-0.3 4,-0.4 -0.610 32.6-135.7 -86.5 148.1 19.6 3.5 2.6 69 56 B A G >> S+ 0 0 0 -2,-0.2 4,-2.8 1,-0.2 3,-1.9 0.874 102.3 64.6 -70.3 -35.2 16.5 4.9 0.8 70 57 B H G 34 S+ 0 0 24 1,-0.3 -1,-0.2 2,-0.2 9,-0.1 0.677 93.5 64.7 -62.6 -14.3 15.4 6.9 3.9 71 58 B b G <4 S+ 0 0 0 -3,-0.8 -1,-0.3 1,-0.1 -2,-0.2 0.721 113.9 30.3 -77.6 -23.7 18.6 8.9 3.6 72 59 B L T <4 S+ 0 0 1 -3,-1.9 9,-2.0 -4,-0.4 2,-0.4 0.741 131.6 27.6-104.1 -31.5 17.5 10.3 0.2 73 60 B L E < +M 80 0D 37 -4,-2.8 -1,-0.3 7,-0.2 7,-0.2 -0.898 63.7 129.3-141.6 109.0 13.7 10.3 0.7 74 60AB Y E > > -M 79 0D 47 5,-3.8 3,-2.3 -2,-0.4 5,-1.6 -0.501 25.4-173.3-159.1 80.7 11.9 10.7 4.0 75 60BB P G > 5S+ 0 0 26 0, 0.0 3,-3.3 0, 0.0 414,-0.2 0.754 80.3 71.6 -45.9 -37.9 9.2 13.4 4.1 76 60CB P G 3 5S+ 0 0 20 0, 0.0 413,-1.9 0, 0.0 332,-0.0 0.792 110.0 35.8 -55.2 -23.2 8.6 13.0 7.9 77 60DB W G < 5S- 0 0 71 -3,-2.3 3,-0.1 411,-0.2 411,-0.1 0.076 120.1-114.1-111.8 17.6 12.0 14.7 8.3 78 60EB D T < 5 + 0 0 92 -3,-3.3 2,-0.6 1,-0.2 410,-0.0 0.894 67.4 152.0 46.7 45.6 11.2 16.8 5.2 79 60FB K E < +M 74 0D 22 -5,-1.6 -5,-3.8 -9,-0.1 -1,-0.2 -0.928 3.4 141.1-108.6 111.3 14.1 15.0 3.5 80 60GB N E -M 73 0D 118 -2,-0.6 -7,-0.2 -7,-0.2 2,-0.1 -0.499 28.2-175.7-152.9 75.1 13.6 14.8 -0.2 81 60HB F - 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