==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 10-APR-07 2PGQ . 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 . 301 3 3 2 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13676.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 180 59.8 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 . 76 25.2 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 . 17 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 29 9.6 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 1 0 1 1 1 1 0 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 1QA E 0 0 210 0, 0.0 2,-0.3 0, 0.0 258,-0.0 0.000 360.0 360.0 360.0-171.8 131.3 99.9 -43.7 2 1PA Y - 0 0 41 2,-0.0 2,-0.5 258,-0.0 14,-0.0 -0.963 360.0-166.1-139.1 125.2 130.2 96.3 -44.1 3 1OA Q - 0 0 124 -2,-0.3 2,-0.1 12,-0.0 0, 0.0 -0.937 25.2-126.0-109.1 127.2 130.7 94.1 -47.2 4 1NA T - 0 0 79 -2,-0.5 3,-0.0 1,-0.1 12,-0.0 -0.389 22.7-176.1 -74.7 146.7 128.7 90.8 -47.3 5 1MA F + 0 0 52 -2,-0.1 2,-0.2 2,-0.0 -1,-0.1 0.657 60.3 66.9-108.1 -31.4 130.5 87.5 -47.9 6 1LA F S S- 0 0 12 1,-0.0 3,-0.0 5,-0.0 289,-0.0 -0.521 81.5-111.2 -98.7 163.9 127.7 85.0 -48.0 7 1KA N >> - 0 0 86 -2,-0.2 4,-3.2 1,-0.1 3,-1.2 -0.827 18.9-147.8 -93.3 119.5 124.7 84.3 -50.4 8 1JA P H 3> S+ 0 0 79 0, 0.0 4,-1.9 0, 0.0 -1,-0.1 0.767 93.7 70.7 -57.1 -28.7 121.4 85.2 -48.7 9 1IA R H 34 S+ 0 0 218 1,-0.2 4,-0.1 2,-0.2 290,-0.0 0.912 121.0 16.3 -53.9 -40.2 119.6 82.5 -50.7 10 1HA T H <4 S+ 0 0 22 -3,-1.2 -1,-0.2 2,-0.1 290,-0.1 0.725 129.1 51.0-106.9 -26.5 121.5 80.0 -48.5 11 1GA F H < S- 0 0 3 -4,-3.2 69,-0.6 1,-0.2 70,-0.3 0.750 96.5-142.4 -80.2 -25.5 122.7 82.1 -45.5 12 1FA G < - 0 0 5 -4,-1.9 3,-0.4 -5,-0.3 -1,-0.2 -0.431 39.3 -39.9 80.3-168.5 119.3 83.6 -44.8 13 1EA S S S+ 0 0 59 1,-0.2 66,-2.2 -2,-0.1 67,-0.2 -0.497 101.3 56.6 -96.6 159.7 118.9 87.2 -43.8 14 1DA G > + 0 0 16 64,-0.2 3,-0.6 -2,-0.2 4,-0.3 0.180 58.2 113.8 118.3 -16.4 120.9 89.4 -41.5 15 1CA E G > S+ 0 0 11 -3,-0.4 3,-1.5 1,-0.3 149,-0.1 0.911 84.6 46.4 -56.5 -48.2 124.5 89.5 -42.7 16 1BA A G 3 S+ 0 0 62 1,-0.2 -1,-0.3 147,-0.0 147,-0.0 0.789 115.7 48.8 -64.6 -25.8 124.5 93.2 -43.6 17 1AA D G X S+ 0 0 60 -3,-0.6 3,-0.8 145,-0.1 -1,-0.2 0.320 89.6 130.3 -88.1 4.2 122.8 93.9 -40.2 18 1 A a T < + 0 0 2 -3,-1.5 144,-0.2 -4,-0.3 145,-0.1 -0.177 60.0 13.6 -72.5 155.1 125.3 91.9 -38.1 19 2 A G T 3 S+ 0 0 0 142,-2.9 244,-2.1 1,-0.2 2,-0.5 0.490 90.3 111.5 76.4 4.8 127.2 92.8 -35.0 20 3 A L < - 0 0 35 -3,-0.8 -1,-0.2 141,-0.3 242,-0.1 -0.960 58.6-145.8-113.3 116.6 125.2 96.0 -34.1 21 4 A R > > - 0 0 0 -2,-0.5 5,-2.2 1,-0.1 3,-1.6 -0.722 7.7-141.2 -90.4 129.3 123.1 95.7 -31.0 22 5 A P T 3 5S+ 0 0 10 0, 0.0 -1,-0.1 0, 0.0 135,-0.1 0.838 102.1 46.3 -53.9 -36.7 119.8 97.5 -30.9 23 6 A L T 3 5S+ 0 0 32 134,-0.5 32,-0.1 31,-0.3 134,-0.0 0.484 128.7 17.8 -90.6 1.6 120.2 98.5 -27.2 24 7 A F T X >S+ 0 0 15 -3,-1.6 5,-2.3 30,-0.1 3,-1.3 0.446 128.8 27.1-129.6 -86.3 123.8 99.7 -27.5 25 8 A E G > 5S+ 0 0 16 1,-0.3 3,-1.5 3,-0.2 -5,-0.1 0.880 121.8 53.1 -52.9 -42.7 125.4 100.6 -30.9 26 9 A K G 3 > S+ 0 0 37 1,-0.1 3,-1.5 2,-0.1 4,-0.8 0.515 85.4 98.2-119.3 -0.1 133.0 97.0 -20.0 34 14CA E H 3> S+ 0 0 4 -3,-0.4 4,-2.2 1,-0.3 3,-0.4 0.785 76.5 66.6 -62.3 -26.2 133.5 97.5 -23.8 35 14DA R H 3> S+ 0 0 160 -4,-0.4 4,-3.1 1,-0.2 -1,-0.3 0.822 92.7 61.1 -61.8 -31.0 136.1 100.3 -23.2 36 14EA E H <> S+ 0 0 54 -3,-1.5 4,-1.6 2,-0.2 -1,-0.2 0.899 107.8 45.6 -58.2 -41.2 138.4 97.7 -21.6 37 14FA L H X S+ 0 0 0 -4,-0.8 4,-0.8 -3,-0.4 142,-0.5 0.962 114.6 45.4 -66.9 -54.3 138.4 96.0 -25.0 38 14GA L H >X S+ 0 0 52 -4,-2.2 3,-1.0 1,-0.2 4,-0.6 0.906 111.5 53.1 -56.4 -42.8 138.9 99.2 -27.0 39 14HA E H >X S+ 0 0 83 -4,-3.1 4,-2.7 1,-0.3 3,-1.3 0.859 99.0 63.6 -62.2 -37.5 141.7 100.4 -24.6 40 14IA S H 3< S+ 0 0 9 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.792 94.3 62.4 -60.6 -27.3 143.6 97.1 -25.1 41 14JA Y H << S+ 0 0 26 -3,-1.0 -1,-0.3 -4,-0.8 -2,-0.2 0.799 114.2 33.0 -65.8 -28.3 144.0 98.0 -28.8 42 14KA I H << 0 0 139 -3,-1.3 -2,-0.2 -4,-0.6 -1,-0.2 0.784 360.0 360.0-102.0 -26.2 146.0 101.1 -27.9 43 14LA D < 0 0 139 -4,-2.7 -1,-0.0 134,-0.1 0, 0.0 -0.752 360.0 360.0 -98.5 360.0 147.8 99.9 -24.7 44 !* 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 45 16 B I 0 0 1 0, 0.0 3,-0.5 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 126.5 132.7 81.4 -16.9 46 17 B V B -A 243 0A 10 197,-3.3 197,-1.6 1,-0.2 143,-0.1 -0.796 360.0 -2.1-101.0 133.9 135.1 82.0 -14.0 47 18 B E S S+ 0 0 132 141,-0.5 -1,-0.2 -2,-0.4 194,-0.1 0.858 98.5 136.0 57.2 39.7 135.5 85.4 -12.5 48 19 B G - 0 0 28 -3,-0.5 2,-0.3 159,-0.1 159,-0.2 -0.306 47.5-124.2 -98.5-174.3 133.0 87.0 -14.9 49 20 B S E -B 206 0B 54 157,-2.3 157,-2.5 -2,-0.1 2,-0.2 -0.878 34.7 -82.7-129.3 164.4 130.2 89.4 -14.3 50 21 B D E -B 205 0B 93 -2,-0.3 155,-0.2 155,-0.2 2,-0.1 -0.492 48.3-118.4 -67.8 137.2 126.5 89.4 -15.1 51 22 B A - 0 0 14 153,-2.6 2,-0.2 -2,-0.2 153,-0.1 -0.425 24.4-119.5 -74.2 144.5 125.7 90.4 -18.7 52 23 B E > - 0 0 50 1,-0.1 3,-2.0 -2,-0.1 4,-0.3 -0.514 46.1 -80.9 -78.4 157.1 123.5 93.5 -19.2 53 24 B I T 3 S+ 0 0 112 1,-0.3 -1,-0.1 -2,-0.2 105,-0.0 -0.384 116.9 7.2 -61.8 129.9 120.2 93.0 -21.0 54 25 B G T 3 S+ 0 0 5 104,-0.1 -31,-0.3 2,-0.1 -1,-0.3 0.582 91.9 122.2 77.1 11.4 120.8 92.9 -24.8 55 26 B M S < S+ 0 0 7 -3,-2.0 -2,-0.1 1,-0.3 3,-0.1 0.752 84.8 22.3 -76.8 -26.7 124.6 92.9 -24.4 56 27 B S S > S+ 0 0 18 -4,-0.3 3,-2.1 102,-0.1 -1,-0.3 -0.513 70.1 163.6-141.1 72.9 125.1 89.6 -26.3 57 28 B P T 3 S+ 0 0 3 0, 0.0 103,-1.4 0, 0.0 51,-0.2 0.581 73.6 63.7 -67.8 -12.3 122.0 89.1 -28.5 58 29 B W T 3 S+ 0 0 4 101,-0.2 18,-2.2 103,-0.1 104,-0.1 0.400 75.7 124.6 -88.3 0.0 123.7 86.6 -30.6 59 30 B Q E < -J 75 0C 15 -3,-2.1 49,-0.9 16,-0.2 2,-0.4 -0.402 40.1-172.3 -65.6 131.6 124.0 84.2 -27.5 60 31 B V E -JK 74 107C 0 14,-2.2 14,-1.2 47,-0.2 2,-0.5 -0.978 14.0-148.3-128.7 139.7 122.4 80.8 -28.1 61 32 B M E -JK 73 106C 3 45,-2.9 45,-2.2 -2,-0.4 2,-0.6 -0.925 10.4-149.9-107.4 130.5 121.8 78.0 -25.6 62 33 B L E -JK 72 105C 0 10,-2.7 9,-3.3 -2,-0.5 10,-1.3 -0.913 20.9-175.0-105.4 123.6 122.0 74.4 -26.8 63 34 B F E -JK 70 104C 13 41,-3.0 41,-2.3 -2,-0.6 2,-0.3 -0.886 31.2-117.3-121.3 146.1 119.8 71.9 -24.9 64 35 B R E > -JK 69 103C 74 5,-3.0 5,-1.1 -2,-0.3 39,-0.2 -0.630 27.7-141.9 -70.4 138.5 119.2 68.2 -24.9 65 36 B K T 5S+ 0 0 75 37,-3.1 3,-0.2 -2,-0.3 38,-0.1 0.944 78.3 57.7 -72.1 -47.1 115.5 67.8 -25.9 66 36AB S T 5S+ 0 0 101 36,-0.4 -1,-0.2 1,-0.3 2,-0.1 -0.981 120.3 8.6-149.0 105.3 114.8 64.9 -23.6 67 37 B P T 5S- 0 0 102 0, 0.0 -1,-0.3 0, 0.0 2,-0.1 0.794 106.2-108.7 -94.4 165.6 115.1 65.2 -20.7 68 38 B Q T 5 + 0 0 144 -3,-0.2 2,-0.3 -2,-0.1 -3,-0.2 -0.374 53.3 158.2 -64.0 127.1 115.8 69.0 -20.8 69 39 B E E < -J 64 0C 88 -5,-1.1 -5,-3.0 -2,-0.1 2,-0.4 -0.913 42.8-123.5-154.3 127.6 119.4 69.7 -20.1 70 40 B L E +J 63 0C 29 -2,-0.3 -7,-0.3 -7,-0.2 3,-0.1 -0.610 36.1 170.5 -70.4 126.4 121.6 72.7 -21.0 71 41 B L E - 0 0 23 -9,-3.3 2,-0.3 -2,-0.4 -8,-0.2 0.845 47.8 -28.3-105.1 -43.3 124.6 71.3 -22.9 72 42 B b E -J 62 0C 8 -10,-1.3 -10,-2.7 176,-0.1 -1,-0.3 -0.902 58.1 -95.8-164.5 175.7 126.7 74.1 -24.4 73 43 B G E +J 61 0C 6 176,-3.4 12,-0.4 -2,-0.3 2,-0.3 -0.484 35.8 172.2-100.6 176.0 126.8 77.6 -25.8 74 44 B A E -J 60 0C 0 -14,-1.2 -14,-2.2 -2,-0.2 2,-0.3 -0.946 21.7-122.0-171.1 173.5 126.5 78.7 -29.4 75 45 B S E -JL 59 83C 0 8,-2.3 8,-2.7 -2,-0.3 2,-0.5 -0.990 15.8-123.1-137.5 150.8 126.1 81.9 -31.5 76 46 B L E + L 0 82C 0 -18,-2.2 86,-2.3 -2,-0.3 6,-0.2 -0.766 28.2 169.8 -94.9 121.9 123.7 83.3 -34.0 77 47 B I - 0 0 3 4,-2.4 2,-0.3 -2,-0.5 5,-0.2 0.577 69.2 -9.4-108.7 -14.3 125.2 84.2 -37.3 78 48 B S S S- 0 0 0 3,-1.2 -1,-0.2 82,-0.1 -64,-0.2 -0.905 89.6 -77.0-158.0-171.4 122.1 84.8 -39.4 79 49 B D S S+ 0 0 15 -66,-2.2 74,-2.8 -2,-0.3 -67,-0.1 0.653 129.9 23.6 -75.2 -6.4 118.3 84.3 -39.0 80 50 B R S S+ 0 0 66 -69,-0.6 69,-3.1 -67,-0.2 2,-0.4 0.478 107.6 76.4-133.1 -1.0 118.8 80.6 -39.7 81 51 B W E - 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