==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 05-SEP-01 1JWT . COMPND 2 MOLECULE: PROTHROMBIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.LEVESQUE,Y.ST-DENIS,B.BACHAND,P.PREVILLE,L.LEBLOND, . 299 4 4 3 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13338.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 188 62.9 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 . 74 24.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 1.3 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 . 3 1.0 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 . 31 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 28 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.3 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 1 0 2 0 0 0 0 0 1 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 . 7 1 3 3 3 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 1 0 1 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 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 1 A T 0 0 29 0, 0.0 5,-0.2 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 -78.1 19.6 13.8 18.5 2 2 A F B > +A 5 0A 103 3,-0.8 3,-1.4 1,-0.3 155,-0.3 0.131 360.0 38.9-128.0-139.2 21.1 13.6 22.1 3 3 A G T 3 S- 0 0 23 1,-0.3 -1,-0.3 153,-0.1 156,-0.1 -0.231 134.2 -10.4 -32.6 111.7 20.5 15.1 25.6 4 4 A S T 3 S- 0 0 51 154,-0.4 2,-0.5 153,-0.2 -1,-0.3 0.945 108.6 -95.6 24.3 78.4 16.8 15.1 25.8 5 5 A G B < -A 2 0A 0 -3,-1.4 -3,-0.8 -4,-0.1 2,-0.2 -0.176 65.3 -51.0 58.8-103.2 16.0 14.3 22.2 6 6 A E - 0 0 51 -2,-0.5 65,-0.1 -5,-0.2 150,-0.0 -0.799 60.3 -72.5-164.2-175.9 15.2 17.2 19.9 7 7 A A S S+ 0 0 85 -2,-0.2 -1,-0.1 1,-0.2 -2,-0.0 0.976 129.5 17.7 -70.7 -47.2 13.2 20.3 19.4 8 8 A D S > S+ 0 0 58 -3,-0.1 3,-1.4 147,-0.0 -1,-0.2 0.213 91.1 155.4-109.2 12.4 10.0 18.5 18.7 9 9 A a T 3 + 0 0 2 1,-0.2 146,-0.2 -5,-0.2 147,-0.1 -0.013 60.5 2.8 -61.8 146.9 10.7 15.0 20.2 10 10 A G T 3 S+ 0 0 0 144,-3.0 241,-1.7 240,-0.2 2,-0.8 0.402 91.0 114.2 66.2 -3.5 8.1 12.6 21.4 11 11 A L < - 0 0 42 -3,-1.4 -1,-0.2 239,-0.2 239,-0.1 -0.846 65.6-133.6 -94.1 109.2 5.0 14.7 20.6 12 12 A R > > - 0 0 0 -2,-0.8 5,-2.0 1,-0.2 3,-0.9 -0.294 1.9-137.7 -69.2 138.9 3.1 12.8 17.9 13 13 A P T 3 5S+ 0 0 14 0, 0.0 -1,-0.2 0, 0.0 137,-0.1 0.910 102.6 45.2 -57.4 -30.0 1.9 14.8 15.0 14 14 A L T 3 5S+ 0 0 33 33,-0.5 34,-0.1 136,-0.5 -2,-0.1 0.697 127.8 13.2 -90.9 -8.5 -1.4 12.9 15.0 15 15 A F T X>>S+ 0 0 15 -3,-0.9 5,-2.0 32,-0.2 3,-1.7 0.560 127.3 32.9-126.9 -86.9 -2.3 13.0 18.7 16 16 A E T 345S+ 0 0 27 1,-0.2 3,-0.4 3,-0.2 5,-0.1 0.893 120.9 55.4 -40.9 -43.8 -0.5 15.2 21.3 17 17 A K T 34 - 0 0 2 -2,-0.2 3,-2.0 26,-0.1 2,-0.6 -0.689 36.0-104.8 -91.3 147.0 -4.5 7.1 21.6 23 23 A K T 3 S+ 0 0 137 -2,-0.3 -1,-0.1 1,-0.3 4,-0.0 0.339 114.9 37.2 -76.8 23.9 -6.8 4.5 22.8 24 24 A T T 3> S+ 0 0 21 -2,-0.6 4,-1.4 2,-0.1 3,-0.3 0.414 82.3 99.4-132.1 7.5 -4.6 2.9 25.3 25 25 A E H X> S+ 0 0 4 -3,-2.0 4,-1.2 1,-0.2 3,-1.1 0.949 79.1 61.7 -42.0 -71.3 -2.6 6.0 26.8 26 26 A R H 3> S+ 0 0 120 -4,-0.3 4,-3.0 1,-0.2 5,-0.3 0.826 100.5 54.4 -14.4 -60.7 -4.9 6.1 29.9 27 27 A E H 3> S+ 0 0 18 -3,-0.3 4,-1.3 2,-0.2 -1,-0.2 0.951 112.3 45.3 -54.2 -45.9 -3.8 2.5 30.8 28 28 A L H XX S+ 0 0 0 -4,-1.4 3,-2.7 -3,-1.1 4,-1.0 0.987 114.7 42.3 -53.6 -74.2 -0.2 3.7 30.7 29 29 A L H >< S+ 0 0 17 -4,-1.2 3,-0.5 1,-0.3 5,-0.3 0.819 107.4 64.7 -48.6 -34.2 -0.5 6.9 32.6 30 30 A E H >< S+ 0 0 105 -4,-3.0 3,-0.8 -5,-0.4 4,-0.4 0.858 97.3 55.4 -61.7 -31.3 -2.8 5.2 35.1 31 31 A S H << S+ 0 0 20 -3,-2.7 2,-1.1 -4,-1.3 -1,-0.3 0.897 96.0 64.1 -66.3 -31.5 0.1 3.0 36.0 32 32 A Y T << S- 0 0 12 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.1 -0.068 131.9 -93.1 -80.9 40.2 2.2 6.0 36.8 33 33 A I S < S- 0 0 147 -2,-1.1 -3,-0.2 -3,-0.8 -2,-0.1 0.919 91.1 -41.6 32.4 71.4 -0.4 6.8 39.6 34 34 A D S S- 0 0 105 -4,-0.4 -2,-0.1 -5,-0.3 0, 0.0 -0.224 71.9-108.5 43.5-149.5 -2.3 9.0 37.1 35 35 A G 0 0 19 211,-0.1 214,-0.1 -2,-0.1 -9,-0.0 0.497 360.0 360.0-127.8-116.2 -0.9 11.6 34.3 36 36 A R 0 0 229 213,-0.0 211,-0.0 212,-0.0 -2,-0.0 0.278 360.0 360.0 -66.0 360.0 -0.9 15.3 33.9 37 ! 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 38 37 A I > 0 0 0 0, 0.0 3,-0.6 0, 0.0 194,-0.2 0.000 360.0 360.0 360.0 108.0 4.3 -9.1 19.6 39 38 A V B 3 -B 231 0B 12 192,-1.2 192,-0.8 193,-0.5 143,-0.2 -0.596 360.0 -5.5 -75.3 147.9 2.2 -11.8 21.3 40 39 A E T 3 S+ 0 0 136 141,-0.8 2,-0.4 -2,-0.2 -1,-0.2 0.744 96.5 115.2 44.5 37.3 -1.3 -10.9 22.6 41 40 A G < - 0 0 13 -3,-0.6 154,-0.2 154,-0.1 -1,-0.1 -0.999 61.9-119.0-128.7 144.1 -1.4 -7.2 21.9 42 41 A S - 0 0 79 -2,-0.4 152,-1.5 1,-0.1 -3,-0.0 -0.322 40.1 -64.5 -83.1 166.0 -3.8 -5.7 19.3 43 42 A D B -C 193 0C 96 150,-0.2 2,-0.2 1,-0.1 150,-0.2 0.091 53.1-114.1 -36.3 138.4 -3.3 -3.7 16.1 44 43 A A - 0 0 7 148,-2.5 -1,-0.1 59,-0.1 2,-0.1 -0.550 23.7-113.4 -86.0 147.6 -1.7 -0.2 16.0 45 44 A E > - 0 0 61 -2,-0.2 3,-2.1 1,-0.1 4,-0.4 -0.364 37.8 -97.4 -81.8 151.1 -3.2 3.1 15.1 46 45 A I T 3 S+ 0 0 98 1,-0.3 -1,-0.1 2,-0.1 57,-0.1 -0.430 111.5 7.7 -65.9 122.9 -2.2 5.0 12.1 47 46 A G T 3 S+ 0 0 11 -2,-0.2 -33,-0.5 104,-0.1 -1,-0.3 0.332 96.0 113.5 94.3 -14.8 0.2 7.6 13.2 48 47 A M S < S+ 0 0 7 -3,-2.1 -2,-0.1 1,-0.2 -36,-0.1 0.629 80.7 37.4 -65.4 -24.9 0.5 6.2 16.8 49 48 A S > + 0 0 14 -4,-0.4 3,-1.8 1,-0.1 -1,-0.2 -0.343 62.8 159.1-128.3 56.5 4.2 5.1 16.5 50 49 A P T 3 S+ 0 0 0 0, 0.0 103,-0.4 0, 0.0 51,-0.2 0.773 72.0 58.3 -55.8 -37.4 6.2 7.6 14.4 51 50 A W T 3 S+ 0 0 5 101,-0.2 18,-1.1 103,-0.1 2,-0.4 0.657 78.6 117.2 -61.2 -25.1 9.7 6.7 15.6 52 51 A Q E < -H 68 0D 5 -3,-1.8 49,-0.7 16,-0.2 2,-0.3 -0.345 43.7-170.8 -58.4 119.2 9.3 3.0 14.6 53 52 A V E -HI 67 100D 0 14,-2.1 14,-1.1 -2,-0.4 2,-0.5 -0.765 17.1-138.1 -97.1 146.6 11.8 1.8 12.0 54 53 A M E -HI 66 99D 0 45,-2.7 45,-1.7 -2,-0.3 2,-0.9 -0.877 17.4-138.8 -96.3 132.4 11.7 -1.4 10.2 55 54 A L E -HI 65 98D 0 10,-2.7 9,-2.6 -2,-0.5 10,-0.9 -0.730 29.2-160.6 -98.8 110.6 15.1 -3.0 9.8 56 55 A F E -HI 63 97D 0 41,-2.4 41,-3.1 -2,-0.9 2,-0.7 -0.586 17.6-138.5-106.2 146.2 15.4 -4.4 6.3 57 56 A R E - I 0 96D 61 5,-3.0 5,-0.4 -2,-0.3 39,-0.2 -0.784 2.8-162.2 -96.6 117.4 17.4 -6.9 4.5 58 57 A K S S+ 0 0 45 37,-3.1 -1,-0.2 -2,-0.7 38,-0.1 0.991 76.1 56.6 -51.7 -64.9 18.6 -6.1 1.0 59 58 A S S S+ 0 0 87 36,-0.4 -1,-0.2 2,-0.1 2,-0.2 -0.893 123.9 8.5-135.5 128.5 19.4 -9.8 0.1 60 59 A P S S- 0 0 71 0, 0.0 2,-1.6 0, 0.0 0, 0.0 0.635 104.1-112.9 -59.5-176.3 17.3 -11.6 0.3 61 60 A Q + 0 0 63 -2,-0.2 -3,-0.2 -5,-0.1 2,-0.1 -0.482 63.3 138.3 -88.0 71.8 14.5 -9.0 1.0 62 61 A E - 0 0 83 -2,-1.6 -5,-3.0 -5,-0.4 2,-0.6 -0.483 57.6-110.2-108.7-175.4 13.5 -9.7 4.5 63 62 A L E +H 56 0D 35 -7,-0.2 -7,-0.2 -2,-0.1 3,-0.1 -0.921 34.2 170.6-102.2 106.3 12.5 -8.0 7.9 64 63 A L E - 0 0 27 -9,-2.6 2,-0.3 -2,-0.6 171,-0.2 0.771 56.0 -34.8 -96.2 -14.1 15.3 -8.7 10.4 65 64 A b E -H 55 0D 0 -10,-0.9 -10,-2.7 171,-0.1 2,-0.2 -0.973 54.7-100.1-165.5 178.4 14.3 -6.4 13.3 66 65 A G E +H 54 0D 1 171,-2.6 12,-0.5 -2,-0.3 2,-0.3 -0.604 34.4 172.8-105.5-171.2 12.8 -3.2 14.5 67 66 A A E -H 53 0D 0 -14,-1.1 -14,-2.1 -2,-0.2 2,-0.3 -0.992 22.9-106.0-168.5 171.9 14.4 -0.0 15.7 68 67 A S E -HJ 52 76D 0 8,-2.9 8,-2.1 -2,-0.3 2,-0.4 -0.914 15.7-131.1-130.0 163.2 13.9 3.5 16.7 69 68 A L E + J 0 75D 0 -18,-1.1 86,-2.4 -2,-0.3 6,-0.2 -0.825 25.5 165.8-103.6 128.0 14.3 6.9 15.3 70 69 A I E - 0 0 1 4,-2.2 2,-0.3 -2,-0.4 87,-0.1 0.654 65.2 -6.7-128.4 -21.2 16.0 9.7 17.4 71 70 A S E > S- J 0 74D 3 3,-1.1 3,-1.2 -70,-0.1 -1,-0.4 -0.929 90.0 -77.4-147.1-173.7 17.0 12.6 15.2 72 71 A D T 3 S+ 0 0 54 -2,-0.3 74,-2.8 1,-0.2 72,-0.1 0.791 128.0 29.7 -57.1 -25.1 16.8 13.1 11.4 73 72 A R T 3 S+ 0 0 26 72,-0.2 69,-1.9 218,-0.1 2,-0.4 0.155 105.8 74.5-119.2 27.2 20.0 11.0 10.8 74 73 A W E < -JK 71 141D 0 -3,-1.2 -4,-2.2 67,-0.2 -3,-1.1 -0.993 45.6-176.1-135.2 136.4 20.2 8.4 13.6 75 74 A V E -JK 69 140D 0 65,-2.7 65,-1.6 -2,-0.4 2,-0.4 -0.707 15.2-147.3-106.5 170.3 18.4 5.2 14.2 76 75 A L E +JK 68 139D 0 -8,-2.1 -8,-2.9 -2,-0.3 63,-0.2 -0.957 23.8 159.0-145.2 122.3 18.9 3.0 17.2 77 76 A T E - K 0 138D 0 61,-2.7 61,-2.3 -2,-0.4 2,-0.3 -0.651 46.0 -78.8-130.8-173.3 18.6 -0.7 17.4 78 77 A A > - 0 0 0 -12,-0.5 3,-1.4 59,-0.2 4,-0.4 -0.714 40.9-126.8 -86.1 148.4 19.6 -3.6 19.4 79 78 A A G >> S+ 0 0 0 -2,-0.3 4,-1.2 1,-0.3 3,-0.9 0.784 103.2 63.5 -72.3 -20.5 23.1 -4.6 18.8 80 79 A H G 34 S+ 0 0 23 1,-0.2 -1,-0.3 2,-0.2 157,-0.0 0.453 84.0 75.6 -81.7 -1.3 22.3 -8.2 18.0 81 80 A b G <4 S+ 0 0 0 -3,-1.4 -1,-0.2 -15,-0.1 -2,-0.2 0.939 112.7 24.6 -61.2 -36.1 20.3 -7.2 15.0 82 81 A L T <4 S+ 0 0 1 -3,-0.9 9,-2.4 -4,-0.4 2,-0.3 0.949 127.7 27.4 -92.1 -78.7 23.7 -6.6 13.3 83 82 A L E < +N 90 0E 43 -4,-1.2 7,-0.3 7,-0.3 -1,-0.2 -0.706 61.2 139.4 -89.2 147.2 26.5 -8.6 14.8 84 83 A Y E > > -N 89 0E 49 5,-2.4 3,-1.2 -2,-0.3 5,-1.2 -0.065 23.1-173.3 178.9 65.1 25.8 -12.0 16.5 85 84 A P G > 5S+ 0 0 49 0, 0.0 3,-0.8 0, 0.0 5,-0.1 0.560 73.2 70.6 -73.5 -4.6 28.3 -14.7 15.8 86 85 A P G 3 5S+ 0 0 76 0, 0.0 2,-0.8 0, 0.0 44,-0.0 0.965 112.1 36.7 -55.5 -45.5 26.9 -17.9 17.4 87 86 A W G < 5S- 0 0 190 -3,-1.2 0, 0.0 2,-0.1 0, 0.0 -0.451 121.9-104.5-101.0 59.1 24.2 -17.7 14.6 88 87 A D T < 5 + 0 0 155 -2,-0.8 2,-0.6 -3,-0.8 -1,-0.0 0.515 69.5 149.7 22.8 34.1 26.6 -16.5 11.8 89 88 A K E < +N 84 0E 44 -5,-1.2 -5,-2.4 1,-0.1 -1,-0.1 -0.816 10.1 138.7 -98.3 115.1 25.3 -12.8 11.9 90 89 A N E -N 83 0E 124 -2,-0.6 -7,-0.3 -7,-0.3 -8,-0.1 -0.535 33.0-179.1-145.8 70.9 27.6 -9.9 11.0 91 90 A F - 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