==== 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 09-APR-07 2PGB . COMPND 2 MOLECULE: PROTHROMBIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR L.A.BUSH-PELC,F.MARINO,Z.CHEN,A.O.PINEDA,F.S.MATHEWS,E.DI CE . 289 3 3 2 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13084.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 178 61.6 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 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 . 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 . 19 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 29 10.0 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 0 0 1 1 1 0 1 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 1HA T 0 0 94 0, 0.0 288,-0.2 0, 0.0 71,-0.1 0.000 360.0 360.0 360.0-150.3 147.8 22.0 74.0 2 1GA F - 0 0 45 1,-0.1 70,-0.7 283,-0.1 71,-0.2 0.872 360.0-167.7 -47.9 -54.3 147.9 25.7 75.1 3 1FA G - 0 0 49 67,-0.1 3,-0.4 68,-0.1 -1,-0.1 -0.547 40.6 -25.8 92.9-164.7 147.7 27.4 71.8 4 1EA S S S+ 0 0 66 -2,-0.2 67,-2.1 1,-0.2 68,-0.2 -0.396 101.3 66.5 -84.9 162.7 148.4 31.1 71.2 5 1DA G + 0 0 14 65,-0.2 4,-0.5 -2,-0.1 3,-0.4 -0.086 62.9 99.3 124.6 -36.7 148.0 33.8 73.8 6 1CA E S > S+ 0 0 128 -3,-0.4 3,-1.9 1,-0.2 -2,-0.1 0.925 82.6 55.7 -50.0 -58.5 150.6 33.3 76.6 7 1BA A T 3 S+ 0 0 65 1,-0.3 -1,-0.2 0, 0.0 -3,-0.0 0.837 119.5 28.4 -42.0 -49.0 153.1 35.9 75.2 8 1AA D T > S+ 0 0 75 -3,-0.4 3,-1.2 146,-0.0 -1,-0.3 0.165 90.0 144.0-104.3 19.4 150.7 38.8 75.2 9 1 A a T < + 0 0 16 -3,-1.9 145,-0.2 -4,-0.5 146,-0.1 -0.134 62.1 17.0 -60.2 149.8 148.5 37.6 78.1 10 2 A G T 3 S+ 0 0 0 143,-2.9 243,-1.7 242,-0.2 2,-0.6 0.495 89.6 113.2 73.0 6.3 147.0 40.1 80.5 11 3 A L < - 0 0 33 -3,-1.2 -1,-0.1 142,-0.3 241,-0.1 -0.946 61.7-139.0-114.0 111.2 147.5 43.3 78.4 12 4 A R > > - 0 0 0 -2,-0.6 5,-2.0 1,-0.1 3,-1.5 -0.558 4.9-140.7 -80.1 130.7 144.1 44.7 77.4 13 5 A P T 3 5S+ 0 0 15 0, 0.0 -1,-0.1 0, 0.0 136,-0.1 0.832 103.8 41.3 -52.8 -39.7 143.6 46.0 73.8 14 6 A L T 3 5S+ 0 0 27 135,-0.5 33,-0.1 32,-0.3 -2,-0.1 0.455 129.7 21.9 -92.6 1.2 141.5 48.9 75.0 15 7 A F T X >S+ 0 0 15 -3,-1.5 5,-2.4 31,-0.1 3,-1.7 0.459 126.3 24.6-127.8 -87.7 143.6 49.8 78.1 16 8 A E G > 5S+ 0 0 33 1,-0.3 3,-1.3 3,-0.2 -5,-0.1 0.878 122.4 53.3 -54.1 -43.0 147.3 48.8 78.6 17 9 A K G 3 > S+ 0 0 37 2,-0.1 3,-0.9 1,-0.1 4,-0.9 0.400 86.6 101.3-131.5 9.2 139.3 51.6 89.4 25 14CA E H 3> S+ 0 0 8 -3,-0.4 4,-2.2 1,-0.2 3,-0.3 0.815 79.0 64.4 -64.8 -26.9 142.6 49.8 88.7 26 14DA R H 3> S+ 0 0 141 -4,-0.4 4,-3.0 1,-0.2 5,-0.3 0.863 95.4 60.0 -64.9 -30.3 144.5 52.5 90.7 27 14EA E H <> S+ 0 0 59 -3,-0.9 4,-1.3 2,-0.2 -1,-0.2 0.893 106.4 47.8 -61.1 -42.0 142.6 51.3 93.8 28 14FA L H X S+ 0 0 0 -4,-0.9 4,-1.0 -3,-0.3 143,-0.4 0.969 113.7 44.6 -63.4 -52.8 144.1 47.8 93.3 29 14GA L H >X S+ 0 0 31 -4,-2.2 4,-1.5 1,-0.2 3,-0.8 0.905 110.8 53.3 -62.9 -38.7 147.7 49.1 92.8 30 14HA E H 3X S+ 0 0 92 -4,-3.0 4,-3.0 1,-0.2 5,-0.4 0.850 102.3 60.7 -65.4 -29.0 147.6 51.5 95.7 31 14IA S H 3X S+ 0 0 15 -4,-1.3 4,-0.8 -3,-0.3 -1,-0.2 0.843 106.2 46.5 -67.1 -25.4 146.4 48.6 97.9 32 14JA Y H << S+ 0 0 15 -4,-1.0 -1,-0.2 -3,-0.8 -2,-0.2 0.820 120.0 38.7 -83.1 -30.4 149.7 46.8 97.2 33 14KA I H < S+ 0 0 126 -4,-1.5 -2,-0.2 1,-0.1 -3,-0.2 0.852 117.8 43.2 -87.0 -38.6 151.8 49.8 97.8 34 14LA D H < 0 0 120 -4,-3.0 -3,-0.2 1,-0.2 -2,-0.1 0.782 360.0 360.0 -85.2 -29.9 150.2 51.5 100.7 35 14MA G < 0 0 73 -4,-0.8 -1,-0.2 -5,-0.4 0, 0.0 -0.984 360.0 360.0-169.4 360.0 149.3 48.8 103.2 36 !* 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 37 16 B I 0 0 1 0, 0.0 3,-0.5 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 124.5 128.1 41.0 91.8 38 17 B V B -A 233 0A 1 195,-2.8 195,-1.7 1,-0.2 143,-0.1 -0.807 360.0 -3.9 -96.4 130.8 126.9 42.9 95.0 39 18 B E S S+ 0 0 125 141,-0.7 -1,-0.2 -2,-0.5 192,-0.1 0.797 102.0 122.3 60.8 33.0 127.8 46.5 95.4 40 19 B G - 0 0 30 -3,-0.5 2,-0.3 157,-0.1 157,-0.2 -0.124 53.5-123.4-102.0-157.5 129.9 46.6 92.3 41 20 B S E -B 196 0B 62 155,-2.2 155,-2.6 -2,-0.1 2,-0.2 -0.909 36.3 -71.2-143.3 169.2 129.6 48.9 89.3 42 21 B D E -B 195 0B 106 -2,-0.3 153,-0.2 153,-0.2 152,-0.1 -0.451 51.8-122.0 -65.7 134.8 129.2 48.6 85.5 43 22 B A - 0 0 4 151,-3.0 2,-0.2 -2,-0.2 -1,-0.1 -0.387 24.5-115.5 -70.8 152.8 132.4 47.4 83.8 44 23 B E > - 0 0 39 1,-0.1 3,-2.0 -2,-0.1 4,-0.3 -0.567 46.6 -82.6 -81.0 156.6 133.8 49.6 81.1 45 24 B I T 3 S+ 0 0 79 1,-0.3 -1,-0.1 -2,-0.2 57,-0.1 -0.421 116.8 7.8 -59.9 130.1 133.9 48.1 77.6 46 25 B G T 3 S+ 0 0 13 55,-0.1 -32,-0.3 -2,-0.1 -1,-0.3 0.584 91.4 124.9 75.2 8.7 136.9 45.8 77.1 47 26 B M S < S+ 0 0 6 -3,-2.0 -2,-0.1 1,-0.3 -35,-0.1 0.824 83.8 22.8 -69.8 -30.1 137.8 46.0 80.8 48 27 B S S > S+ 0 0 11 -4,-0.3 3,-2.4 1,-0.1 -1,-0.3 -0.573 70.9 166.0-136.2 67.9 137.7 42.2 81.4 49 28 B P T 3 S+ 0 0 4 0, 0.0 103,-1.7 0, 0.0 51,-0.2 0.586 75.0 60.2 -67.1 -7.5 138.3 40.7 77.9 50 29 B W T 3 S+ 0 0 3 101,-0.2 18,-2.2 103,-0.1 104,-0.1 0.420 77.4 121.1 -93.5 -3.0 139.1 37.3 79.4 51 30 B Q E < -J 67 0C 4 -3,-2.4 49,-0.9 16,-0.2 2,-0.4 -0.400 43.5-170.0 -66.9 133.9 135.6 37.2 80.9 52 31 B V E -JK 66 99C 0 14,-2.3 14,-1.3 47,-0.2 2,-0.5 -0.957 15.9-145.4-125.7 142.6 133.6 34.2 79.7 53 32 B M E -JK 65 98C 1 45,-2.5 45,-2.4 -2,-0.4 2,-0.6 -0.949 11.2-147.8-105.7 122.2 129.9 33.4 80.2 54 33 B L E -JK 64 97C 2 10,-2.9 9,-3.1 -2,-0.5 10,-1.3 -0.862 25.1-167.4 -87.9 120.8 129.1 29.6 80.6 55 34 B F E -JK 62 96C 24 41,-2.8 41,-2.5 -2,-0.6 2,-0.4 -0.928 20.3-131.2-121.3 134.9 125.6 29.3 79.0 56 35 B R E > -JK 61 95C 81 5,-2.9 5,-1.1 -2,-0.4 39,-0.2 -0.742 12.8-148.8 -84.3 128.3 123.2 26.4 79.2 57 36 B K T 5S+ 0 0 70 37,-2.5 -1,-0.2 -2,-0.4 38,-0.1 0.930 78.2 49.8 -62.9 -48.9 121.9 25.4 75.8 58 36AB S T 5S+ 0 0 102 36,-0.5 -1,-0.3 1,-0.3 2,-0.2 -0.918 119.6 19.6-148.8 115.8 118.5 24.2 77.0 59 37 B P T 5S- 0 0 81 0, 0.0 2,-0.5 0, 0.0 -1,-0.3 0.606 104.0-121.9 -70.6 160.9 116.9 25.8 78.8 60 38 B Q T 5 + 0 0 159 -2,-0.2 2,-0.3 -3,-0.1 -3,-0.2 -0.620 57.1 128.7 -75.3 119.3 118.8 29.0 77.9 61 39 B E E < -J 56 0C 74 -5,-1.1 -5,-2.9 -2,-0.5 2,-0.3 -0.963 63.4 -95.5-168.0 152.7 120.3 30.5 81.0 62 40 B L E +J 55 0C 39 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.554 37.0 179.1 -69.1 130.8 123.5 31.9 82.4 63 41 B L E - 0 0 23 -9,-3.1 2,-0.3 1,-0.4 174,-0.2 0.819 53.7 -45.0-100.3 -45.2 125.2 29.0 84.4 64 42 B b E -J 54 0C 6 -10,-1.3 -10,-2.9 174,-0.1 -1,-0.4 -0.957 56.0 -88.4-170.5 176.0 128.4 30.6 85.7 65 43 B G E +J 53 0C 2 174,-3.2 12,-0.4 -2,-0.3 2,-0.3 -0.453 39.0 168.0 -95.6 172.1 131.4 32.7 84.9 66 44 B A E -J 52 0C 0 -14,-1.3 -14,-2.3 -2,-0.2 2,-0.4 -0.937 23.9-118.8-168.1 179.7 134.8 31.5 83.5 67 45 B S E -JL 51 75C 0 8,-2.2 8,-2.7 -2,-0.3 2,-0.6 -0.990 13.8-124.0-141.2 147.7 137.9 32.9 82.0 68 46 B L E + L 0 74C 0 -18,-2.2 86,-2.2 -2,-0.4 6,-0.2 -0.792 29.7 168.9 -89.6 119.4 139.9 32.7 78.8 69 47 B I - 0 0 2 4,-2.4 2,-0.3 -2,-0.6 5,-0.2 0.512 68.6 -6.6-108.9 -8.5 143.5 31.6 79.4 70 48 B S S S- 0 0 0 3,-1.1 -1,-0.2 -65,-0.1 -65,-0.2 -0.929 89.8 -78.7-164.1-175.3 144.6 30.9 75.8 71 49 B D S S+ 0 0 18 -67,-2.1 74,-2.4 -2,-0.3 -68,-0.1 0.646 129.5 25.2 -73.9 -5.5 143.0 30.8 72.4 72 50 B R S S+ 0 0 55 -70,-0.7 69,-2.9 -68,-0.2 2,-0.4 0.459 107.8 75.8-135.2 -0.3 141.6 27.3 73.2 73 51 B W E - M 0 140C 0 -71,-0.2 -4,-2.4 67,-0.2 -3,-1.1 -0.953 47.8-170.2-126.3 137.6 141.2 26.9 76.9 74 52 B V E -LM 68 139C 0 65,-2.5 65,-2.6 -2,-0.4 2,-0.4 -0.957 12.6-148.5-124.6 136.5 138.7 28.3 79.4 75 53 B L E +LM 67 138C 0 -8,-2.7 -8,-2.2 -2,-0.4 2,-0.2 -0.847 28.8 146.6-106.4 136.4 139.1 28.0 83.2 76 54 B T E - M 0 137C 0 61,-2.7 61,-2.3 -2,-0.4 2,-0.4 -0.848 49.2 -73.4-149.4-171.8 136.1 27.7 85.6 77 55 B A > - 0 0 0 -12,-0.4 3,-1.4 59,-0.3 4,-0.4 -0.767 32.5-133.2 -92.3 140.4 135.0 26.2 88.9 78 56 B A G >> S+ 0 0 0 -2,-0.4 4,-2.9 1,-0.3 3,-1.9 0.874 104.4 63.7 -59.0 -36.5 134.4 22.4 89.1 79 57 B H G 34 S+ 0 0 27 1,-0.3 -1,-0.3 2,-0.2 181,-0.0 0.697 91.2 65.3 -66.3 -17.5 131.1 23.0 90.9 80 58 B b G <4 S+ 0 0 1 -3,-1.4 -1,-0.3 1,-0.1 -2,-0.2 0.750 118.7 23.7 -70.3 -23.3 129.7 24.9 87.9 81 59 B L T <4 S+ 0 0 3 -3,-1.9 9,-2.4 -4,-0.4 2,-0.4 0.695 129.5 33.2-111.4 -32.9 129.9 21.6 86.0 82 60 B L E < +P 89 0D 39 -4,-2.9 -1,-0.3 7,-0.2 7,-0.2 -0.951 53.4 142.8-137.3 116.1 129.8 18.8 88.6 83 60AB Y E > > -P 88 0D 57 5,-2.7 3,-2.0 -2,-0.4 5,-1.8 -0.614 23.1-168.9-152.7 90.7 127.9 18.9 91.9 84 60BB P G > 5S+ 0 0 48 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 0.762 81.6 67.3 -51.2 -36.2 126.4 15.5 92.8 85 60CB P G 3 5S+ 0 0 70 0, 0.0 44,-0.0 0, 0.0 -2,-0.0 0.770 111.6 36.8 -60.8 -22.0 124.3 16.7 95.8 86 60DB W G < 5S- 0 0 170 -3,-2.0 3,-0.1 2,-0.1 0, 0.0 0.225 115.5-115.5-109.0 12.1 122.2 18.6 93.2 87 60EB D T < 5 + 0 0 153 -3,-2.0 2,-0.6 1,-0.2 -5,-0.0 0.882 63.7 156.1 50.9 43.9 122.5 15.9 90.6 88 60FB K E < +P 83 0D 43 -5,-1.8 -5,-2.7 2,-0.0 -1,-0.2 -0.877 7.3 145.2-103.2 122.5 124.4 18.3 88.5 89 60GB N E -P 82 0D 117 -2,-0.6 -7,-0.2 -7,-0.2 2,-0.1 -0.501 26.7-165.1-158.2 80.0 126.8 16.8 85.9 90 60HB F - 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