==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-AUG-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 22-DEC-99 1C5N . COMPND 2 MOLECULE: THROMBIN LIGHT CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR B.A.KATZ,R.MACKMAN,C.LUONG,K.RADIKA,A.MARTELLI,P.A.SPRENGELE . 298 4 4 3 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13435.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 180 60.4 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 . 77 25.8 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 . 2 0.7 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 . 20 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 27 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.0 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 1 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 1 3 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 1HL T 0 0 10 0, 0.0 5,-0.3 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 -39.1 19.1 13.1 19.1 2 1GL F B > +A 5 0A 112 3,-3.7 3,-3.6 1,-0.3 155,-0.7 -0.393 360.0 32.4-145.2-137.2 20.4 13.7 22.7 3 1FL G T 3 S- 0 0 29 1,-0.3 -1,-0.3 -2,-0.1 156,-0.2 -0.004 133.8 -15.9 -34.3 119.5 19.3 15.1 26.1 4 1EL S T 3 S- 0 0 37 154,-0.1 2,-0.7 1,-0.1 -1,-0.3 0.786 125.8 -74.4 46.8 28.9 15.6 14.5 26.6 5 1DL G B < S-A 2 0A 0 -3,-3.6 -3,-3.7 152,-0.5 -1,-0.1 -0.783 74.8 -44.1 108.7-115.5 15.5 13.8 22.9 6 1CL E S S- 0 0 45 -2,-0.7 -1,-0.2 -5,-0.3 -3,-0.1 0.621 76.5 -85.5-136.6 -49.2 15.7 16.3 20.0 7 1BL A S S+ 0 0 72 -3,-0.2 149,-0.0 -6,-0.0 -2,-0.0 -0.308 123.9 25.8 162.6 -54.8 13.6 19.5 20.3 8 1AL D S > S+ 0 0 62 147,-0.1 3,-1.1 2,-0.0 148,-0.1 0.179 95.3 140.8-114.7 17.1 10.2 18.5 19.1 9 1 L a T 3 + 0 0 0 1,-0.2 146,-0.2 146,-0.1 147,-0.1 -0.043 58.4 19.8 -60.2 157.9 10.8 14.9 20.0 10 2 L G T 3 S+ 0 0 0 144,-2.2 240,-1.1 239,-0.2 2,-0.7 0.455 89.6 112.0 65.4 0.5 8.1 12.7 21.4 11 3 L L < - 0 0 33 -3,-1.1 -1,-0.1 143,-0.2 238,-0.1 -0.920 61.9-142.4-107.1 109.4 5.1 14.9 20.3 12 4 L R > > - 0 0 0 -2,-0.7 5,-1.9 1,-0.1 3,-1.6 -0.580 7.7-136.2 -77.5 128.0 3.2 13.0 17.7 13 5 L P T 3 5S+ 0 0 18 0, 0.0 -1,-0.1 0, 0.0 137,-0.1 0.824 104.1 40.2 -42.4 -45.9 1.6 14.9 14.7 14 6 L L T 3 5S+ 0 0 35 136,-0.4 34,-0.1 33,-0.3 -2,-0.0 0.467 129.0 21.7 -90.8 -2.0 -1.6 13.0 14.9 15 7 L F T X>>S+ 0 0 14 -3,-1.6 5,-2.4 32,-0.1 3,-2.2 0.432 126.2 25.2-126.3 -92.1 -2.0 12.9 18.6 16 8 L E G >45S+ 0 0 27 1,-0.3 3,-1.1 3,-0.2 -5,-0.1 0.858 120.4 56.8 -43.6 -49.6 -0.3 15.3 21.1 17 9 L K G 34 - 0 0 6 -2,-0.3 3,-0.6 1,-0.1 4,-0.4 -0.427 38.2 -97.9 -83.3 167.2 -4.7 7.1 21.3 23 14AL K T 3 S+ 0 0 150 1,-0.2 -1,-0.1 2,-0.1 4,-0.1 0.662 113.1 28.7 -63.6 -19.1 -6.9 4.3 22.7 24 14BL T T >> S+ 0 0 29 2,-0.1 3,-0.9 1,-0.1 4,-0.8 0.402 85.2 97.0-121.8 5.5 -4.6 2.8 25.3 25 14CL E H X> S+ 0 0 2 -3,-0.6 4,-1.9 1,-0.2 3,-0.8 0.862 78.3 67.5 -62.5 -30.9 -2.2 5.6 26.6 26 14DL R H 3> S+ 0 0 156 -4,-0.4 4,-3.3 1,-0.3 -1,-0.2 0.882 92.7 61.0 -51.0 -40.9 -4.6 6.2 29.5 27 14EL E H <> S+ 0 0 34 -3,-0.9 4,-0.6 2,-0.2 -1,-0.3 0.892 106.5 45.8 -53.2 -43.6 -3.5 2.7 30.8 28 14FL L H XX S+ 0 0 0 -3,-0.8 3,-1.8 -4,-0.8 4,-0.6 0.977 114.8 43.7 -66.1 -59.0 0.1 3.9 31.0 29 14GL L H ><>S+ 0 0 28 -4,-1.9 3,-1.1 1,-0.3 5,-0.7 0.861 108.6 59.5 -57.7 -37.4 -0.6 7.3 32.7 30 14HL E H 3<5S+ 0 0 77 -4,-3.3 4,-0.3 -5,-0.3 -1,-0.3 0.781 102.3 55.8 -64.8 -20.3 -3.0 5.5 35.0 31 14IL S H <<5S+ 0 0 20 -3,-1.8 2,-1.8 -4,-0.6 -1,-0.2 0.603 84.6 75.8 -86.9 -12.5 -0.0 3.3 36.1 32 14JL Y T <<5S- 0 0 10 -3,-1.1 -1,-0.2 -4,-0.6 139,-0.1 -0.421 138.0 -82.0 -93.1 59.1 2.2 6.2 37.2 33 14KL I T 5S- 0 0 147 -2,-1.8 -2,-0.2 -3,-0.1 -3,-0.1 0.763 95.7 -47.0 38.3 37.6 -0.1 6.2 40.1 34 14LL D < - 0 0 107 -5,-0.7 2,-0.3 -4,-0.3 -4,-0.2 0.488 67.8-123.0 81.2 141.9 -2.4 8.2 37.8 35 14ML G 0 0 11 -9,-0.2 211,-0.1 1,-0.1 -2,-0.0 -0.760 360.0 360.0-113.5 161.9 -1.5 11.2 35.7 36 15 L R 0 0 281 -2,-0.3 -1,-0.1 209,-0.3 210,-0.1 0.865 360.0 360.0 87.3 360.0 -2.8 14.8 35.4 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 16 H I 0 0 0 0, 0.0 2,-0.4 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 134.8 4.2 -9.2 19.7 39 17 H V B +B 230 0B 11 191,-2.5 191,-1.4 1,-0.2 143,-0.1 -0.911 360.0 0.2-107.5 129.4 2.0 -11.8 21.5 40 18 H E S S+ 0 0 136 -2,-0.4 -1,-0.2 141,-0.4 2,-0.2 0.833 100.7 124.0 60.8 40.0 -1.5 -10.7 22.8 41 19 H G - 0 0 22 -3,-0.3 2,-0.3 153,-0.1 153,-0.3 -0.546 53.8-127.3-113.4-178.8 -1.0 -7.1 21.5 42 20 H S E -C 193 0C 62 151,-2.9 151,-2.7 -2,-0.2 2,-0.1 -0.801 34.7 -74.2-128.3 173.4 -3.4 -5.3 19.2 43 21 H D E -C 192 0C 101 -2,-0.3 149,-0.3 149,-0.2 148,-0.1 -0.418 51.5-120.7 -66.9 141.1 -3.1 -3.4 15.9 44 22 H A - 0 0 6 147,-3.8 2,-0.2 59,-0.1 -1,-0.1 -0.302 24.7-113.5 -76.8 166.7 -1.5 -0.0 16.2 45 23 H E > - 0 0 62 1,-0.1 3,-1.7 147,-0.0 4,-0.3 -0.582 46.5 -82.2 -94.2 164.6 -3.4 3.1 15.1 46 24 H I T 3 S+ 0 0 91 1,-0.3 -1,-0.1 -2,-0.2 57,-0.1 -0.485 117.2 7.6 -68.4 131.7 -2.1 5.1 12.2 47 25 H G T 3 S+ 0 0 13 -2,-0.2 -33,-0.3 104,-0.1 -1,-0.3 0.645 89.5 126.2 71.9 16.4 0.7 7.4 13.4 48 26 H M S < S+ 0 0 6 -3,-1.7 -2,-0.1 1,-0.2 -36,-0.1 0.838 84.7 21.5 -72.7 -35.6 0.7 5.9 16.9 49 27 H S > + 0 0 11 -4,-0.3 3,-2.5 1,-0.1 -1,-0.2 -0.568 68.5 168.8-131.1 67.0 4.5 5.2 16.9 50 28 H P T 3 S+ 0 0 4 0, 0.0 103,-1.3 0, 0.0 51,-0.2 0.617 76.3 61.5 -60.8 -9.0 6.0 7.5 14.2 51 29 H W T 3 S+ 0 0 2 101,-0.2 18,-1.7 103,-0.1 2,-0.2 0.507 75.2 118.6 -93.6 -6.8 9.5 6.7 15.4 52 30 H Q E < -K 68 0D 3 -3,-2.5 49,-0.8 16,-0.2 50,-0.3 -0.415 44.0-172.3 -64.8 129.5 9.2 2.9 14.6 53 31 H V E -KL 67 100D 0 14,-2.3 14,-1.1 -2,-0.2 2,-0.4 -0.844 16.0-142.3-121.5 158.6 11.7 1.8 12.0 54 32 H M E -KL 66 99D 0 45,-1.6 45,-2.4 -2,-0.3 2,-0.7 -0.993 8.4-146.5-123.4 125.1 12.1 -1.5 10.1 55 33 H L E -KL 65 98D 0 10,-2.9 9,-2.6 -2,-0.4 10,-1.0 -0.850 27.3-169.4 -92.0 123.9 15.5 -3.0 9.4 56 34 H F E -KL 63 97D 0 41,-3.2 41,-2.0 -2,-0.7 2,-0.3 -0.934 17.8-133.0-119.2 138.9 15.1 -4.7 6.1 57 35 H R E > -KL 62 96D 72 5,-3.1 5,-0.7 -2,-0.4 39,-0.2 -0.668 8.8-144.6 -88.7 141.8 17.5 -7.0 4.3 58 36 H K T 5S+ 0 0 41 37,-1.7 -1,-0.1 -2,-0.3 38,-0.1 0.980 81.2 44.5 -71.7 -55.0 18.1 -6.4 0.7 59 36AH S T 5S+ 0 0 101 36,-0.3 -1,-0.2 1,-0.3 2,-0.2 -0.962 122.9 22.2-140.7 124.2 18.5 -10.1 -0.5 60 37 H P T 5S- 0 0 75 0, 0.0 2,-0.8 0, 0.0 -1,-0.3 0.660 103.8-128.6 -60.1 154.2 16.6 -12.1 0.5 61 38 H Q T 5 + 0 0 59 -2,-0.2 2,-0.3 232,-0.1 232,-0.3 -0.673 53.4 141.4 -77.2 110.8 14.2 -9.3 1.1 62 39 H E E < -K 57 0D 71 -2,-0.8 -5,-3.1 -5,-0.7 2,-0.4 -0.991 58.4 -97.8-153.3 161.1 13.1 -9.8 4.7 63 40 H L E +K 56 0D 36 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.648 38.4 172.7 -78.9 128.6 12.3 -8.2 8.0 64 41 H L E - 0 0 27 -9,-2.6 2,-0.3 1,-0.4 170,-0.2 0.810 53.6 -36.6-103.7 -53.7 15.3 -8.3 10.2 65 42 H b E -K 55 0D 4 -10,-1.0 -10,-2.9 170,-0.1 -1,-0.4 -0.929 53.4 -98.3-161.4-179.5 14.5 -6.2 13.2 66 43 H G E +K 54 0D 2 170,-3.3 12,-0.4 -2,-0.3 2,-0.3 -0.476 39.5 168.6-102.2 171.1 12.8 -3.2 14.7 67 44 H A E -K 53 0D 0 -14,-1.1 -14,-2.3 -2,-0.2 2,-0.3 -0.927 24.3-120.1-170.0 179.2 14.6 0.1 15.4 68 45 H S E -KM 52 76D 0 8,-1.8 8,-2.7 -2,-0.3 2,-0.5 -0.984 13.5-125.7-141.1 151.2 13.8 3.7 16.3 69 46 H L E + M 0 75D 0 -18,-1.7 86,-2.0 -2,-0.3 6,-0.2 -0.855 29.1 168.7 -95.7 120.1 14.4 7.2 14.8 70 47 H I - 0 0 0 4,-2.2 2,-0.3 -2,-0.5 5,-0.1 0.540 69.9 -3.6-109.7 -16.8 16.0 9.5 17.4 71 48 H S S S- 0 0 0 3,-1.1 -1,-0.2 -70,-0.1 75,-0.1 -0.895 90.8 -82.5-155.8-175.4 17.0 12.4 15.0 72 49 H D S S+ 0 0 46 -2,-0.3 74,-2.2 1,-0.2 3,-0.1 0.632 127.5 29.1 -77.9 -5.5 16.8 13.0 11.2 73 50 H R S S+ 0 0 89 72,-0.2 69,-2.9 1,-0.1 2,-0.4 0.472 107.6 73.6-127.0 -6.8 20.0 11.0 10.6 74 51 H W E - N 0 141D 0 67,-0.2 -4,-2.2 65,-0.0 -3,-1.1 -0.932 48.3-172.1-121.7 138.7 20.3 8.4 13.4 75 52 H V E -MN 69 140D 0 65,-2.2 65,-2.2 -2,-0.4 2,-0.4 -0.933 14.4-146.9-119.3 142.9 18.5 5.2 14.1 76 53 H L E +MN 68 139D 0 -8,-2.7 -8,-1.8 -2,-0.4 2,-0.3 -0.907 29.7 151.3-110.5 133.8 18.9 3.2 17.3 77 54 H T E - N 0 138D 0 61,-2.6 61,-2.0 -2,-0.4 2,-0.4 -0.834 48.6 -78.1-146.6-172.5 18.7 -0.7 17.3 78 55 H A > - 0 0 0 -12,-0.4 3,-1.5 -2,-0.3 4,-0.4 -0.765 32.6-134.9 -95.6 136.1 20.0 -3.7 19.2 79 56 H A G >> S+ 0 0 0 -2,-0.4 4,-2.5 1,-0.3 3,-1.5 0.843 102.2 64.9 -60.8 -32.2 23.5 -4.8 18.4 80 57 H H G 34 S+ 0 0 22 1,-0.3 -1,-0.3 2,-0.2 177,-0.0 0.709 89.8 67.8 -67.5 -14.2 22.5 -8.5 18.1 81 58 H b G <4 S+ 0 0 0 -3,-1.5 -1,-0.3 1,-0.1 -2,-0.2 0.767 116.1 24.7 -73.0 -24.9 20.4 -7.6 15.2 82 59 H L T <4 S+ 0 0 1 -3,-1.5 9,-3.4 -4,-0.4 2,-0.4 0.724 128.6 33.6-108.4 -32.1 23.7 -6.8 13.3 83 60 H L E < +Q 90 0E 40 -4,-2.5 7,-0.3 7,-0.2 -1,-0.3 -0.968 54.5 140.1-134.8 117.3 26.4 -8.9 14.9 84 60AH Y E > > -Q 89 0E 54 5,-3.5 3,-2.0 -2,-0.4 5,-1.8 -0.556 23.1-171.7-156.6 80.6 25.9 -12.4 16.5 85 60BH P G > 5S+ 0 0 48 0, 0.0 3,-2.4 0, 0.0 -1,-0.1 0.764 78.6 71.1 -45.6 -39.7 28.9 -14.7 15.7 86 60CH P G 3 5S+ 0 0 68 0, 0.0 44,-0.0 0, 0.0 0, 0.0 0.754 112.3 32.0 -49.1 -30.1 27.2 -17.9 17.1 87 60DH W G < 5S- 0 0 179 -3,-2.0 3,-0.1 2,-0.1 -3,-0.0 -0.108 117.5-110.7-118.9 27.9 24.9 -17.8 14.1 88 60EH D T < 5 + 0 0 157 -3,-2.4 2,-0.6 1,-0.2 -5,-0.0 0.856 65.8 153.8 42.3 45.9 27.4 -16.3 11.8 89 60FH K E < +Q 84 0E 47 -5,-1.8 -5,-3.5 2,-0.0 -1,-0.2 -0.913 3.6 141.8-106.4 123.9 25.4 -13.0 11.7 90 60GH N E -Q 83 0E 108 -2,-0.6 -7,-0.2 -7,-0.3 2,-0.1 -0.595 27.5-169.4-160.6 87.1 27.5 -10.0 10.9 91 60HH F - 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