==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 17-MAY-06 2CN0 . COMPND 2 MOLECULE: PROTHROMBIN PRECURSOR; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.HOFFMANN-RODER,E.SCHWEIZER,J.EGGER,P.SEILER,U.OBST-SANDER, . 283 4 4 3 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13275.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 170 60.1 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 . 79 27.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 0.4 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 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 25 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.8 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 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 . 5 4 0 4 3 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 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 16 H I 0 0 0 0, 0.0 2,-0.4 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 125.5 4.5 -8.3 19.0 2 17 H V B +A 193 0A 12 191,-2.8 191,-1.6 1,-0.2 143,-0.1 -0.832 360.0 3.0 -98.9 133.6 2.6 -11.0 20.8 3 18 H E S S+ 0 0 127 141,-0.5 -1,-0.2 -2,-0.4 188,-0.2 0.785 102.2 122.5 61.8 33.4 -0.8 -10.1 22.4 4 19 H G - 0 0 31 -3,-0.4 2,-0.3 153,-0.1 153,-0.2 -0.141 53.7-122.7-100.0-159.6 -0.7 -6.5 21.1 5 20 H S E -B 156 0B 62 151,-2.0 151,-2.5 -2,-0.1 2,-0.1 -0.929 35.9 -76.2-143.2 163.6 -3.1 -4.5 18.9 6 21 H D E -B 155 0B 111 -2,-0.3 149,-0.3 149,-0.2 148,-0.1 -0.436 50.5-120.6 -62.1 136.3 -2.9 -2.6 15.6 7 22 H A - 0 0 6 147,-3.1 2,-0.2 -2,-0.1 -1,-0.1 -0.385 23.7-115.9 -66.6 153.1 -1.2 0.8 15.9 8 23 H E > - 0 0 41 1,-0.1 3,-1.9 -2,-0.1 4,-0.3 -0.549 46.3 -82.5 -80.1 154.0 -3.1 3.9 15.0 9 24 H I T 3 S+ 0 0 85 1,-0.3 -1,-0.1 -2,-0.2 57,-0.1 -0.424 116.2 6.4 -55.9 132.2 -1.9 5.9 12.0 10 25 H G T 3 S+ 0 0 11 -2,-0.1 256,-0.3 55,-0.1 -1,-0.3 0.581 91.6 125.6 68.8 13.2 1.0 8.2 13.1 11 26 H M S < S+ 0 0 6 -3,-1.9 -2,-0.1 1,-0.3 253,-0.1 0.775 83.4 22.8 -70.8 -29.7 1.0 6.7 16.6 12 27 H S S > S+ 0 0 11 -4,-0.3 3,-2.2 102,-0.1 -1,-0.3 -0.588 70.2 165.3-135.8 67.5 4.7 5.9 16.5 13 28 H P T 3 S+ 0 0 2 0, 0.0 103,-1.6 0, 0.0 51,-0.2 0.572 74.9 59.8 -74.1 -7.9 6.2 8.2 14.0 14 29 H W T 3 S+ 0 0 3 101,-0.2 18,-2.1 103,-0.1 2,-0.2 0.397 77.6 120.6 -87.3 -4.0 9.7 7.5 15.1 15 30 H Q E < -J 31 0C 2 -3,-2.2 49,-0.8 16,-0.2 2,-0.4 -0.430 44.7-167.6 -69.1 135.2 9.3 3.8 14.3 16 31 H V E -JK 30 63C 0 14,-2.4 14,-1.3 -2,-0.2 2,-0.5 -0.948 14.4-145.7-124.3 141.4 11.9 2.5 11.8 17 32 H M E -JK 29 62C 0 45,-2.7 45,-2.5 -2,-0.4 2,-0.6 -0.940 9.9-148.2-102.2 123.1 12.0 -0.7 9.8 18 33 H L E -JK 28 61C 1 10,-2.6 9,-2.7 -2,-0.5 10,-1.2 -0.869 23.6-164.9 -87.8 124.1 15.4 -2.1 9.1 19 34 H F E -JK 26 60C 0 41,-3.0 41,-2.6 -2,-0.6 2,-0.2 -0.934 16.2-133.9-123.3 122.9 15.0 -3.9 5.8 20 35 H R E > -JK 25 59C 76 5,-2.7 5,-0.9 -2,-0.5 39,-0.2 -0.553 10.9-148.1 -75.3 137.8 17.4 -6.4 4.3 21 36 H K E 5S+J 24 0C 82 37,-2.6 3,-0.3 1,-0.3 -1,-0.1 0.860 79.0 47.1 -74.0 -37.1 18.2 -5.7 0.7 22 36AH S T 5S+ 0 0 101 1,-0.5 -1,-0.3 36,-0.4 2,-0.1 -0.875 121.2 22.0-158.7 109.5 18.7 -9.3 -0.5 23 37 H P T 5S- 0 0 73 0, 0.0 2,-0.6 0, 0.0 -1,-0.5 0.646 102.5-125.1 -68.3 152.0 16.7 -11.3 0.4 24 38 H Q E 5 +J 21 0C 53 -3,-0.3 2,-0.3 -2,-0.1 -3,-0.2 -0.573 58.6 130.2 -67.4 112.2 14.0 -8.6 1.0 25 39 H E E < -J 20 0C 72 -5,-0.9 -5,-2.7 -2,-0.6 2,-0.4 -0.990 63.6 -89.3-160.8 159.1 13.0 -9.2 4.5 26 40 H L E +J 19 0C 24 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.632 38.6 174.3 -70.5 125.4 12.3 -7.5 7.9 27 41 H L E - 0 0 21 -9,-2.7 2,-0.3 -2,-0.4 170,-0.3 0.828 53.8 -43.3 -97.3 -44.1 15.5 -7.6 9.9 28 42 H a E -J 18 0C 2 -10,-1.2 -10,-2.6 170,-0.1 -1,-0.4 -0.973 53.5 -93.3-171.4 169.7 14.7 -5.5 13.0 29 43 H G E +J 17 0C 2 170,-3.1 12,-0.4 -2,-0.3 2,-0.3 -0.489 39.7 166.4 -90.1 174.4 13.0 -2.5 14.5 30 44 H A E -J 16 0C 0 -14,-1.3 -14,-2.4 -2,-0.2 2,-0.3 -0.923 23.3-120.6-171.7 176.9 14.8 0.8 15.1 31 45 H S E -JL 15 39C 0 8,-2.1 8,-2.3 -2,-0.3 2,-0.6 -0.982 14.6-120.2-137.8 156.7 13.9 4.4 15.9 32 46 H L E + L 0 38C 0 -18,-2.1 86,-2.3 -2,-0.3 6,-0.2 -0.832 29.9 167.1 -91.8 118.3 14.4 7.9 14.6 33 47 H I - 0 0 22 4,-2.3 2,-0.3 -2,-0.6 5,-0.2 0.531 69.3 -12.0-110.9 -8.8 16.2 10.2 17.0 34 48 H S S S- 0 0 35 3,-1.1 3,-0.3 85,-0.1 -1,-0.3 -0.931 85.5 -79.3-165.4-176.1 17.0 13.1 14.5 35 49 H D S S+ 0 0 74 -2,-0.3 74,-2.7 1,-0.2 72,-0.1 0.688 129.9 27.9 -64.0 -15.3 16.9 13.8 10.8 36 50 H R S S+ 0 0 70 72,-0.2 69,-2.3 1,-0.1 2,-0.4 0.407 109.4 71.6-128.1 -9.5 20.1 11.9 10.4 37 51 H W E - M 0 104C 15 -3,-0.3 -4,-2.3 67,-0.2 -3,-1.1 -0.971 47.7-171.7-129.5 134.7 20.4 9.3 13.2 38 52 H V E -LM 32 103C 0 65,-2.7 65,-2.6 -2,-0.4 2,-0.4 -0.954 13.8-147.9-122.9 139.2 18.6 6.0 13.9 39 53 H L E +LM 31 102C 0 -8,-2.3 -8,-2.1 -2,-0.4 2,-0.2 -0.860 29.5 145.1-108.5 138.1 19.0 4.0 17.1 40 54 H T E - M 0 101C 0 61,-2.5 61,-2.2 -2,-0.4 2,-0.4 -0.833 49.6 -71.8-153.9-173.0 18.8 0.2 17.3 41 55 H A > - 0 0 0 -12,-0.4 3,-1.3 59,-0.2 4,-0.4 -0.750 32.6-133.2 -90.0 137.9 20.1 -2.9 19.0 42 56 H A G >> S+ 0 0 0 -2,-0.4 4,-2.6 1,-0.2 3,-1.9 0.860 105.0 64.2 -54.8 -37.2 23.7 -4.0 18.3 43 57 H H G 34 S+ 0 0 22 1,-0.3 -1,-0.2 2,-0.2 177,-0.0 0.692 90.5 65.7 -65.7 -18.2 22.5 -7.6 17.9 44 58 H a G <4 S+ 0 0 1 -3,-1.3 -1,-0.3 1,-0.1 -2,-0.2 0.713 118.0 24.8 -66.5 -24.1 20.4 -6.5 14.9 45 59 H L T <4 S+ 0 0 2 -3,-1.9 9,-2.4 -4,-0.4 2,-0.4 0.690 130.1 30.8-111.9 -33.1 23.7 -5.8 13.1 46 60 H L E < +P 53 0D 31 -4,-2.6 -1,-0.3 7,-0.2 7,-0.2 -0.957 54.6 139.6-141.1 111.6 26.3 -7.9 14.8 47 60AH Y E > > -P 52 0D 55 5,-2.8 5,-2.0 -2,-0.4 3,-1.7 -0.589 21.6-174.6-150.3 82.8 25.8 -11.3 16.4 48 60BH P G > 5S+ 0 0 44 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 0.803 77.8 68.7 -54.7 -33.5 28.7 -13.7 15.5 49 60CH P G 3 5S+ 0 0 68 0, 0.0 44,-0.0 0, 0.0 -2,-0.0 0.856 112.3 34.3 -56.1 -30.3 27.2 -16.8 17.1 50 60DH W G < 5S- 0 0 194 -3,-1.7 3,-0.1 2,-0.1 -3,-0.0 0.091 119.0-110.0-105.9 20.7 24.6 -16.8 14.3 51 60EH D T < 5 + 0 0 152 -3,-2.0 2,-0.6 1,-0.2 -5,-0.0 0.868 65.1 154.8 51.1 42.8 27.1 -15.4 11.7 52 60FH K E < +P 47 0D 45 -5,-2.0 -5,-2.8 2,-0.0 -1,-0.2 -0.888 2.9 141.6-100.1 121.3 25.3 -12.0 11.6 53 60GH N E -P 46 0D 121 -2,-0.6 -7,-0.2 -7,-0.2 -8,-0.1 -0.507 27.5-168.2-159.1 80.7 27.5 -9.2 10.5 54 60HH F - 0 0 27 -9,-2.4 2,-0.2 -2,-0.1 -9,-0.0 -0.353 7.3-150.8 -76.7 149.0 25.8 -6.6 8.4 55 60IH T > - 0 0 70 -2,-0.1 3,-1.4 1,-0.1 4,-0.4 -0.670 35.9 -99.7-105.5 171.5 27.6 -3.9 6.4 56 61 H E G > S+ 0 0 34 1,-0.3 3,-1.0 -2,-0.2 25,-0.5 0.884 121.7 55.5 -57.9 -40.8 26.0 -0.5 5.6 57 62 H N G 3 S+ 0 0 103 1,-0.2 -1,-0.3 23,-0.1 -3,-0.0 0.495 93.4 71.1 -75.3 -3.8 25.2 -1.6 2.0 58 63 H D G < S+ 0 0 64 -3,-1.4 -37,-2.6 -37,-0.1 -36,-0.4 0.650 100.2 36.5 -84.2 -20.5 23.3 -4.7 3.2 59 64 H L E < -K 20 0C 1 -3,-1.0 22,-0.5 -4,-0.4 2,-0.3 -0.877 58.9-148.2-135.5 166.5 20.2 -2.9 4.5 60 65 H L E -KN 19 80C 19 -41,-2.6 -41,-3.0 -2,-0.3 2,-0.5 -0.862 19.2-130.1-125.3 157.5 17.8 0.0 4.1 61 66 H V E -KN 18 79C 0 18,-2.6 18,-3.0 -2,-0.3 2,-0.5 -0.966 18.2-162.2-108.2 129.5 15.9 2.1 6.7 62 67 H R E -KN 17 78C 0 -45,-2.5 -45,-2.7 -2,-0.5 2,-0.3 -0.980 12.2-173.6-118.4 121.6 12.2 2.5 6.0 63 68 H I E +KN 16 77C 0 14,-2.9 14,-2.9 -2,-0.5 -47,-0.2 -0.857 58.3 29.4-122.3 144.4 10.6 5.4 7.9 64 69 H G S S+ 0 0 8 -49,-0.8 -1,-0.2 -2,-0.3 2,-0.1 0.609 82.4 151.4 84.4 16.4 6.9 6.4 8.2 65 70 H K + 0 0 14 -50,-0.4 -1,-0.2 -3,-0.2 -55,-0.1 -0.364 26.4 161.5 -87.9 158.6 5.5 2.9 7.7 66 71 H H + 0 0 41 1,-0.3 88,-2.0 4,-0.1 -1,-0.2 0.472 66.0 67.0-132.0 -59.8 2.3 1.4 8.9 67 72 H S B S-Q 153 0E 18 86,-0.2 -1,-0.3 1,-0.1 86,-0.3 -0.406 73.6-143.3 -63.2 139.4 1.8 -1.6 6.7 68 73 H R S S+ 0 0 34 84,-2.6 -1,-0.1 83,-0.1 85,-0.1 0.961 91.5 19.1 -66.7 -52.7 4.4 -4.4 7.2 69 74 H T S S+ 0 0 48 83,-0.4 185,-3.0 184,-0.1 2,-0.1 0.675 100.0 95.0-100.3 -22.1 4.7 -5.5 3.5 70 75 H R S S- 0 0 28 82,-0.3 2,-0.8 183,-0.2 -4,-0.1 -0.449 74.1-122.2 -75.0 148.7 3.4 -2.7 1.3 71 76 H Y - 0 0 60 184,-0.2 2,-1.8 -2,-0.1 -1,-0.1 -0.810 31.4-146.2 -82.5 112.2 5.4 -0.0 -0.3 72 77 H E >> - 0 0 28 -2,-0.8 4,-2.5 -5,-0.1 3,-1.9 -0.579 17.4-150.6 -91.9 78.9 3.5 2.9 1.2 73 77AH R T 34 S+ 0 0 176 -2,-1.8 4,-0.1 1,-0.3 -3,-0.0 -0.215 71.9 7.7 -54.0 138.1 3.8 5.3 -1.6 74 78 H N T 34 S+ 0 0 138 2,-0.3 -1,-0.3 1,-0.1 3,-0.1 0.514 129.5 59.5 74.4 8.0 3.9 9.0 -0.8 75 79 H I T <4 S+ 0 0 57 -3,-1.9 -2,-0.2 1,-0.3 39,-0.1 0.597 89.3 58.3-127.4 -63.0 4.1 8.1 2.9 76 80 H E < - 0 0 3 -4,-2.5 2,-0.4 -14,-0.0 -2,-0.3 -0.391 65.7-146.6 -77.6 155.6 7.1 6.1 3.8 77 81 H K E -N 63 0C 84 -14,-2.9 -14,-2.9 -2,-0.1 2,-0.5 -0.977 4.2-147.7-122.0 137.2 10.7 7.2 3.1 78 82 H I E -N 62 0C 59 -2,-0.4 2,-0.4 -16,-0.2 -16,-0.2 -0.905 19.1-173.7-107.6 129.5 13.5 4.9 2.3 79 83 H S E -N 61 0C 15 -18,-3.0 -18,-2.6 -2,-0.5 2,-0.3 -0.929 15.7-139.1-127.9 142.3 17.0 5.8 3.5 80 84 H M E -N 60 0C 81 -2,-0.4 26,-2.5 -20,-0.2 2,-0.4 -0.696 28.2-109.1 -95.0 155.8 20.4 4.4 2.9 81 85 H L E -O 105 0C 2 -22,-0.5 24,-0.3 -25,-0.5 3,-0.1 -0.706 24.5-176.7 -88.0 133.8 23.1 4.0 5.6 82 86 H E E S- 0 0 78 22,-3.3 2,-0.3 -2,-0.4 23,-0.2 0.851 73.9 -11.3 -86.5 -47.5 26.2 6.1 5.7 83 87 H K E -O 104 0C 100 21,-1.4 21,-2.7 -27,-0.1 2,-0.4 -0.984 54.9-140.9-158.8 143.4 27.8 4.4 8.7 84 88 H I E -O 103 0C 19 -2,-0.3 2,-0.4 19,-0.2 19,-0.2 -0.872 14.8-167.5-102.9 139.1 27.0 2.0 11.4 85 89 H Y E -O 102 0C 35 17,-3.0 17,-2.9 -2,-0.4 2,-0.4 -0.969 4.6-170.3-130.8 114.6 28.4 2.5 15.0 86 90 H I E -O 101 0C 48 -2,-0.4 15,-0.2 15,-0.2 13,-0.1 -0.810 39.1 -95.3-103.6 142.6 28.1 -0.4 17.5 87 91 H H > - 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