==== 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/HYDROLASE INHIBITOR 31-JAN-05 1YPK . COMPND 2 MOLECULE: PROTHROMBIN LIGHT CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR P.CZODROWSKI,C.SOTRIFFER,J.FOKKENS,A.HEINE,G.KLEBE . 286 5 4 3 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13280.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 176 61.5 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 26.6 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 0.3 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 . 21 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 28 9.8 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 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 . 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 1BL A 0 0 117 0, 0.0 146,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -84.3 13.3 20.5 20.3 2 1AL D > + 0 0 76 144,-0.1 3,-1.5 3,-0.0 145,-0.1 0.017 360.0 141.4-105.2 20.1 9.9 19.4 18.9 3 1 L a T 3 + 0 0 30 1,-0.2 143,-0.2 143,-0.1 144,-0.1 -0.268 62.3 17.0 -57.2 148.3 11.1 15.9 19.7 4 2 L G T 3 S+ 0 0 0 141,-3.1 237,-2.0 1,-0.2 2,-0.6 0.510 92.4 114.8 77.0 4.2 8.5 13.6 21.1 5 3 L L < - 0 0 30 -3,-1.5 -1,-0.2 140,-0.3 235,-0.1 -0.967 60.5-140.7-113.0 111.1 5.5 15.6 20.0 6 4 L R > > - 0 0 0 -2,-0.6 5,-2.5 1,-0.1 3,-1.4 -0.558 6.2-140.3 -77.8 126.6 3.4 13.8 17.4 7 5 L P T 3 5S+ 0 0 17 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 0.841 104.1 43.7 -47.9 -40.2 2.0 15.8 14.5 8 6 L L T 3 5S+ 0 0 31 133,-0.5 31,-0.1 30,-0.4 133,-0.0 0.436 130.3 17.3 -95.4 1.4 -1.3 13.7 14.6 9 7 L F T X >S+ 0 0 13 -3,-1.4 5,-2.2 29,-0.1 3,-1.3 0.416 128.1 25.4-130.2 -88.2 -1.7 13.7 18.4 10 8 L E G > 5S+ 0 0 30 1,-0.3 3,-1.3 3,-0.2 -5,-0.1 0.877 119.0 56.3 -57.9 -40.7 0.2 16.1 20.7 11 9 L K G 3 > S+ 0 0 42 2,-0.1 3,-1.1 1,-0.1 4,-0.9 0.357 85.3 101.7-128.2 4.5 -4.3 3.9 25.1 19 14CL E H 3> S+ 0 0 13 -3,-0.4 4,-2.1 1,-0.3 3,-0.2 0.819 78.8 64.7 -65.3 -19.8 -2.0 6.7 26.2 20 14DL R H 3> S+ 0 0 156 -4,-0.4 4,-3.1 1,-0.2 -1,-0.3 0.872 92.1 62.5 -68.7 -29.1 -4.2 7.3 29.2 21 14EL E H <> S+ 0 0 43 -3,-1.1 4,-1.1 2,-0.2 -1,-0.2 0.884 105.3 47.4 -59.4 -37.4 -3.3 3.8 30.5 22 14FL L H >X S+ 0 0 1 -4,-0.9 3,-1.2 -3,-0.2 4,-0.9 0.984 111.0 50.2 -66.0 -52.1 0.3 5.0 30.7 23 14GL L H >< S+ 0 0 97 -4,-2.1 3,-1.2 1,-0.3 -2,-0.2 0.887 107.6 54.3 -48.8 -45.0 -0.7 8.2 32.5 24 14HL E H 3< S+ 0 0 103 -4,-3.1 -1,-0.3 1,-0.3 -2,-0.2 0.790 105.1 54.1 -68.2 -22.4 -2.7 6.2 34.9 25 14IL S H << S+ 0 0 17 -3,-1.2 2,-1.8 -4,-1.1 -1,-0.3 0.624 86.7 84.5 -82.7 -14.1 0.3 4.1 35.8 26 14JL Y << 0 0 22 -3,-1.2 -1,-0.2 -4,-0.9 135,-0.0 -0.586 360.0 360.0 -86.8 78.8 2.4 7.1 36.6 27 14KL I 0 0 170 -2,-1.8 -1,-0.1 0, 0.0 -3,-0.1 -0.243 360.0 360.0 -75.6 360.0 1.2 7.4 40.1 28 !* 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 29 16 H I 0 0 0 0, 0.0 2,-0.4 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 121.5 4.3 -8.0 19.2 30 17 H V B -A 221 0A 11 191,-2.8 191,-1.4 1,-0.2 143,-0.1 -0.811 360.0 -1.0 -97.8 132.1 2.3 -10.7 21.0 31 18 H E S S+ 0 0 151 141,-0.5 -1,-0.2 -2,-0.4 2,-0.1 0.803 102.2 117.8 62.1 33.2 -1.1 -9.8 22.4 32 19 H G - 0 0 30 -3,-0.4 2,-0.3 189,-0.1 153,-0.2 -0.238 56.6-118.7-104.0-155.2 -1.0 -6.2 21.3 33 20 H S E -B 184 0B 63 151,-2.4 151,-2.8 -2,-0.1 2,-0.0 -0.926 35.1 -73.6-141.3 163.7 -3.3 -4.3 18.9 34 21 H D E -B 183 0B 102 -2,-0.3 149,-0.2 149,-0.2 2,-0.1 -0.343 52.1-120.5 -55.0 137.0 -3.1 -2.4 15.6 35 22 H A - 0 0 7 147,-2.9 2,-0.2 59,-0.1 -1,-0.1 -0.467 23.1-115.0 -76.0 151.4 -1.4 1.0 15.9 36 23 H E > - 0 0 43 -2,-0.1 3,-1.8 1,-0.1 4,-0.3 -0.525 45.5 -84.1 -74.3 156.7 -3.2 4.2 15.0 37 24 H I T 3 S+ 0 0 83 1,-0.3 -1,-0.1 -2,-0.2 57,-0.1 -0.423 116.2 7.7 -61.3 131.8 -2.0 6.1 12.0 38 25 H G T 3 S+ 0 0 12 -2,-0.1 -30,-0.4 104,-0.1 -1,-0.3 0.605 91.4 126.5 72.8 10.6 0.8 8.5 13.1 39 26 H M S < S+ 0 0 6 -3,-1.8 -2,-0.1 1,-0.3 -33,-0.1 0.785 82.7 22.4 -71.7 -30.5 0.9 6.9 16.6 40 27 H S > + 0 0 12 -4,-0.3 3,-2.4 102,-0.1 -1,-0.3 -0.534 69.0 166.0-137.1 65.9 4.6 6.1 16.5 41 28 H P T 3 S+ 0 0 3 0, 0.0 103,-2.2 0, 0.0 51,-0.1 0.531 75.4 60.8 -71.5 -5.1 6.1 8.5 13.9 42 29 H W T 3 S+ 0 0 2 101,-0.2 18,-1.9 103,-0.1 2,-0.1 0.410 78.0 120.8 -90.6 -7.4 9.7 7.7 15.2 43 30 H Q E < -J 59 0C 2 -3,-2.4 49,-0.9 16,-0.2 2,-0.4 -0.382 43.2-171.1 -63.8 133.4 9.2 4.1 14.3 44 31 H V E -JK 58 91C 0 14,-2.7 14,-1.1 47,-0.2 2,-0.5 -0.945 15.8-144.5-123.2 141.6 11.8 2.8 11.8 45 32 H M E -JK 57 90C 0 45,-2.6 45,-2.6 -2,-0.4 2,-0.6 -0.942 9.9-147.3-102.1 125.9 11.9 -0.5 9.9 46 33 H L E -JK 56 89C 0 10,-3.1 9,-3.1 -2,-0.5 10,-1.4 -0.879 26.0-168.0 -90.7 118.9 15.4 -2.0 9.3 47 34 H F E -JK 54 88C 0 41,-2.8 41,-2.6 -2,-0.6 2,-0.3 -0.944 18.3-133.5-119.6 126.8 15.0 -3.7 5.9 48 35 H R E > -JK 53 87C 81 5,-3.2 5,-1.1 -2,-0.4 39,-0.2 -0.651 11.3-146.4 -82.4 137.7 17.4 -6.2 4.3 49 36 H K T 5S+ 0 0 31 37,-2.3 3,-0.3 -2,-0.3 -1,-0.1 0.928 79.3 43.4 -70.9 -52.4 18.0 -5.5 0.6 50 36AH S T 5S+ 0 0 99 1,-0.4 -1,-0.3 36,-0.4 2,-0.1 -0.939 122.8 24.5-145.0 121.2 18.5 -9.1 -0.6 51 37 H P T 5S- 0 0 74 0, 0.0 2,-0.7 0, 0.0 -1,-0.4 0.597 104.8-129.4 -68.8 143.6 16.6 -11.1 0.3 52 38 H Q T 5 + 0 0 62 -3,-0.3 230,-0.4 -2,-0.1 2,-0.3 -0.501 54.9 129.8 -65.8 107.8 14.1 -8.3 1.0 53 39 H E E < -J 48 0C 80 -5,-1.1 -5,-3.2 -2,-0.7 2,-0.6 -0.988 63.3 -85.2-154.7 169.1 12.9 -8.8 4.5 54 40 H L E +J 47 0C 20 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.672 37.5 174.8 -78.8 120.3 12.3 -7.2 7.9 55 41 H L E - 0 0 20 -9,-3.1 2,-0.3 -2,-0.6 170,-0.2 0.892 55.7 -47.9 -80.5 -55.9 15.5 -7.2 10.0 56 42 H b E -J 46 0C 2 -10,-1.4 -10,-3.1 170,-0.1 -1,-0.4 -0.950 53.6 -84.8-167.8 169.3 14.5 -5.3 13.0 57 43 H G E +J 45 0C 1 170,-3.0 12,-0.4 -2,-0.3 2,-0.3 -0.369 42.2 167.4 -85.2 168.7 12.8 -2.2 14.5 58 44 H A E -J 44 0C 0 -14,-1.1 -14,-2.7 -2,-0.2 2,-0.3 -0.897 22.9-121.3-172.6 172.8 14.6 1.0 15.1 59 45 H S E -JL 43 67C 0 8,-2.2 8,-2.7 -2,-0.3 2,-0.6 -0.980 13.5-123.4-140.8 146.0 13.8 4.7 16.0 60 46 H L E + L 0 66C 0 -18,-1.9 86,-2.3 -2,-0.3 6,-0.2 -0.778 30.6 165.7 -85.5 115.7 14.3 8.1 14.6 61 47 H I S S- 0 0 24 4,-2.2 2,-0.3 -2,-0.6 5,-0.2 0.514 70.6 -8.7-109.9 -8.2 16.1 10.4 17.0 62 48 H S S S- 0 0 37 3,-1.2 3,-0.5 85,-0.1 -1,-0.3 -0.950 87.4 -80.1-167.9-176.8 17.0 13.2 14.5 63 49 H D S S+ 0 0 79 -2,-0.3 74,-2.7 1,-0.2 72,-0.1 0.623 129.2 24.8 -76.7 -5.6 16.7 13.9 10.8 64 50 H R S S+ 0 0 58 72,-0.2 69,-2.1 1,-0.1 2,-0.4 0.297 110.0 78.5-133.8 5.0 19.9 11.9 10.1 65 51 H W E - M 0 132C 16 -3,-0.5 -4,-2.2 67,-0.2 -3,-1.2 -0.973 47.5-174.7-130.7 135.3 20.2 9.5 13.1 66 52 H V E -LM 60 131C 0 65,-2.3 65,-2.4 -2,-0.4 2,-0.4 -0.966 13.2-148.5-123.7 136.4 18.5 6.2 13.8 67 53 H L E +LM 59 130C 0 -8,-2.7 -8,-2.2 -2,-0.4 2,-0.2 -0.855 29.4 145.9-106.6 138.1 18.9 4.1 17.0 68 54 H T E - M 0 129C 0 61,-2.6 61,-2.2 -2,-0.4 2,-0.4 -0.858 49.8 -71.6-153.4-177.3 18.6 0.3 17.2 69 55 H A > - 0 0 0 -12,-0.4 3,-1.6 59,-0.2 4,-0.5 -0.775 32.7-133.2 -86.1 139.0 20.0 -2.7 18.9 70 56 H A G >> S+ 0 0 0 -2,-0.4 4,-2.5 1,-0.3 3,-2.2 0.889 105.3 63.3 -53.9 -40.2 23.6 -3.8 18.3 71 57 H H G 34 S+ 0 0 18 1,-0.3 -1,-0.3 2,-0.2 156,-0.0 0.670 89.7 67.7 -66.1 -14.7 22.4 -7.4 17.8 72 58 H b G <4 S+ 0 0 0 -3,-1.6 -1,-0.3 1,-0.1 -2,-0.2 0.759 117.0 24.5 -70.7 -25.0 20.3 -6.3 14.8 73 59 H L T <4 S+ 0 0 2 -3,-2.2 9,-2.1 -4,-0.5 2,-0.4 0.713 128.1 36.1-109.8 -31.1 23.6 -5.6 13.0 74 60 H L E < +P 81 0D 31 -4,-2.5 -1,-0.3 7,-0.2 7,-0.2 -0.950 51.0 137.4-138.1 114.6 26.2 -7.8 14.7 75 60AH Y E > > -P 80 0D 57 5,-2.6 3,-2.1 -2,-0.4 5,-1.5 -0.500 21.4-176.2-153.0 78.6 25.8 -11.3 16.1 76 60BH P G > 5S+ 0 0 42 0, 0.0 3,-2.3 0, 0.0 5,-0.1 0.724 76.5 68.9 -52.3 -36.0 28.8 -13.5 15.2 77 60CH P G 3 5S+ 0 0 63 0, 0.0 44,-0.0 0, 0.0 43,-0.0 0.806 112.3 35.4 -56.8 -23.7 27.6 -16.7 16.7 78 60DH W G < 5S- 0 0 199 -3,-2.1 3,-0.1 2,-0.1 0, 0.0 0.078 120.8-110.5-109.5 17.1 25.0 -16.7 14.0 79 60EH D T < 5 + 0 0 152 -3,-2.3 2,-0.6 1,-0.2 -5,-0.0 0.839 65.5 153.3 46.9 45.8 27.4 -15.2 11.4 80 60FH K E < +P 75 0D 50 -5,-1.5 -5,-2.6 2,-0.0 -1,-0.2 -0.880 4.1 139.5-100.1 126.2 25.5 -11.9 11.4 81 60GH N E -P 74 0D 116 -2,-0.6 -7,-0.2 -7,-0.2 -8,-0.1 -0.370 29.1-169.3-163.1 69.9 27.6 -8.9 10.5 82 60HH F - 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