==== 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 20-FEB-07 2JH5 . COMPND 2 MOLECULE: THROMBIN LIGHT CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.SENGER,C.CHAN,M.A.CONVERY,J.A.HUBBARD,R.J.YOUNG,G.P.SHAH,N . 288 4 4 3 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13308.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 171 59.4 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 . 78 27.1 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 . 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 . 18 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 27 9.4 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 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 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 1BC A 0 0 127 0, 0.0 147,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -43.2 8.1 52.8 51.0 2 1AC D > + 0 0 70 145,-0.1 3,-1.1 3,-0.0 146,-0.1 0.015 360.0 142.0-102.9 23.4 11.6 52.1 52.2 3 1 C a T 3 + 0 0 26 1,-0.2 144,-0.3 144,-0.1 3,-0.1 -0.214 55.9 21.8 -64.3 152.5 10.9 48.4 51.3 4 2 C G T 3 S+ 0 0 0 142,-2.4 237,-1.9 236,-0.2 2,-0.6 0.489 92.0 115.1 72.7 3.3 13.5 46.1 49.8 5 3 C L < - 0 0 28 -3,-1.1 -1,-0.2 141,-0.3 235,-0.1 -0.943 58.6-144.1-110.5 117.7 16.4 48.2 51.1 6 4 C R > > - 0 0 0 -2,-0.6 5,-2.7 1,-0.1 3,-1.4 -0.678 7.1-143.3 -89.4 127.2 18.5 46.4 53.6 7 5 C P T 3 5S+ 0 0 21 0, 0.0 -1,-0.1 0, 0.0 135,-0.1 0.805 102.9 44.1 -53.2 -34.2 20.1 48.4 56.5 8 6 C L T 3 5S+ 0 0 36 134,-0.4 32,-0.1 31,-0.4 134,-0.0 0.437 130.9 18.0 -96.1 1.8 23.3 46.4 56.4 9 7 C F T X >S+ 0 0 13 -3,-1.4 5,-2.5 30,-0.1 3,-1.0 0.395 129.0 25.3-129.6 -89.8 23.6 46.4 52.7 10 8 C E G > 5S+ 0 0 29 1,-0.2 3,-1.3 3,-0.2 -5,-0.1 0.848 119.3 55.6 -56.0 -40.1 21.8 48.9 50.4 11 9 C K G 3 > S+ 0 0 40 1,-0.1 3,-1.1 2,-0.1 4,-1.0 0.398 84.6 100.5-122.6 5.2 26.2 36.6 45.9 19 14CC E H 3> S+ 0 0 8 -3,-0.5 4,-2.0 1,-0.2 3,-0.3 0.843 79.4 65.2 -61.3 -27.5 23.9 39.4 44.8 20 14DC R H 3> S+ 0 0 142 -4,-0.4 4,-2.7 1,-0.2 -1,-0.2 0.854 95.0 59.2 -58.8 -36.1 26.2 40.0 41.7 21 14EC E H <> S+ 0 0 49 -3,-1.1 4,-1.3 2,-0.2 -1,-0.2 0.892 105.8 48.2 -59.5 -41.8 25.2 36.5 40.5 22 14FC L H >X S+ 0 0 1 -4,-1.0 3,-0.6 -3,-0.3 4,-0.6 0.963 113.3 45.9 -64.2 -50.0 21.6 37.6 40.4 23 14GC L H >< S+ 0 0 96 -4,-2.0 3,-1.1 1,-0.3 -2,-0.2 0.858 108.9 56.7 -61.4 -38.3 22.3 40.9 38.5 24 14HC E H 3< S+ 0 0 133 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.794 102.7 56.0 -64.5 -29.8 24.6 39.0 36.1 25 14IC S H << S+ 0 0 17 -4,-1.3 2,-1.8 -3,-0.6 -1,-0.3 0.614 84.7 85.4 -76.3 -15.3 21.6 36.8 35.2 26 14JC Y << + 0 0 22 -3,-1.1 -1,-0.2 -4,-0.6 136,-0.0 -0.524 54.4 159.4 -88.6 74.3 19.4 39.8 34.2 27 14KC I 0 0 147 -2,-1.8 -1,-0.2 0, 0.0 -2,-0.1 0.783 360.0 360.0 -68.5 -33.8 20.8 39.9 30.7 28 15 C D 0 0 139 -3,-0.2 -2,-0.1 129,-0.1 129,-0.0 0.431 360.0 360.0-122.9 360.0 18.0 41.9 28.9 29 !* 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 30 16 D I 0 0 0 0, 0.0 2,-0.6 0, 0.0 3,-0.5 0.000 360.0 360.0 360.0 123.3 17.5 24.7 51.7 31 17 D V B -A 221 0A 12 190,-2.8 190,-1.8 1,-0.2 143,-0.1 -0.847 360.0 -2.8 -98.5 123.7 19.5 22.0 49.9 32 18 D E S S+ 0 0 126 -2,-0.6 -1,-0.2 141,-0.4 187,-0.2 0.791 101.3 123.8 69.5 31.1 23.0 23.0 48.6 33 19 D G - 0 0 26 -3,-0.5 2,-0.3 152,-0.1 152,-0.2 -0.185 52.7-124.6-100.2-162.2 22.7 26.6 49.8 34 20 D S E -B 184 0B 65 150,-2.2 150,-2.4 -2,-0.1 2,-0.3 -0.843 37.7 -64.9-139.4 175.3 25.1 28.4 52.1 35 21 D D E -B 183 0B 106 -2,-0.3 148,-0.2 148,-0.2 147,-0.1 -0.521 53.0-125.5 -64.2 123.6 25.0 30.3 55.4 36 22 D A - 0 0 4 146,-3.2 2,-0.2 -2,-0.3 146,-0.1 -0.340 27.8-114.9 -61.1 147.9 23.1 33.6 55.0 37 23 D E > - 0 0 41 1,-0.1 3,-2.0 2,-0.0 4,-0.3 -0.532 42.6 -80.5 -82.3 159.8 25.0 36.7 56.0 38 24 D I T 3 S+ 0 0 89 1,-0.3 -1,-0.1 -2,-0.2 57,-0.1 -0.347 117.1 2.7 -55.7 129.8 24.0 38.8 58.9 39 25 D G T 3 S+ 0 0 11 2,-0.1 -31,-0.4 55,-0.1 -1,-0.3 0.574 92.5 127.2 69.3 11.6 21.1 41.1 57.8 40 26 D M S < S+ 0 0 7 -3,-2.0 -2,-0.1 1,-0.3 -1,-0.1 0.666 83.4 21.7 -73.0 -17.9 21.1 39.6 54.3 41 27 D S > + 0 0 13 -4,-0.3 3,-2.1 102,-0.1 -1,-0.3 -0.513 68.7 167.9-152.3 65.9 17.4 38.8 54.5 42 28 D P T 3 S+ 0 0 2 0, 0.0 103,-2.5 0, 0.0 99,-0.1 0.392 76.4 60.5 -73.6 4.3 15.8 41.1 57.1 43 29 D W T 3 S+ 0 0 2 101,-0.2 18,-1.8 103,-0.1 2,-0.3 0.339 74.9 121.0-104.6 1.4 12.3 40.2 55.9 44 30 D Q E < -J 60 0C 2 -3,-2.1 49,-1.1 16,-0.2 50,-0.5 -0.516 45.3-168.7 -71.7 128.1 12.8 36.6 56.7 45 31 D V E -JK 59 92C 0 14,-2.2 14,-1.2 -2,-0.3 2,-0.5 -0.956 15.3-141.4-120.6 137.8 10.2 35.5 59.2 46 32 D M E -JK 58 91C 0 45,-3.1 45,-3.0 -2,-0.4 2,-0.7 -0.881 9.6-147.2 -97.4 130.1 10.0 32.2 61.1 47 33 D L E -JK 57 90C 0 10,-3.2 9,-3.7 -2,-0.5 10,-1.2 -0.873 27.6-172.5 -97.9 114.1 6.6 30.7 61.6 48 34 D F E -JK 55 89C 0 41,-2.7 41,-2.3 -2,-0.7 2,-0.3 -0.916 21.1-134.0-122.8 131.2 6.8 29.0 65.0 49 35 D R E > -JK 54 88C 73 5,-2.9 5,-1.0 -2,-0.4 39,-0.2 -0.638 12.6-140.5 -82.9 136.4 4.4 26.7 66.8 50 36 D K T 5S+ 0 0 40 37,-2.4 3,-0.2 -2,-0.3 -1,-0.1 0.902 80.6 43.2 -60.8 -47.2 3.8 27.4 70.5 51 37 D S T 5S+ 0 0 93 1,-0.4 -1,-0.2 36,-0.4 2,-0.2 -0.893 116.6 24.2-162.9 130.5 3.8 23.7 71.6 52 37AD P T 5S- 0 0 83 0, 0.0 2,-0.5 0, 0.0 -1,-0.4 0.597 104.2-122.3 -63.9 150.5 5.4 21.5 70.9 53 38 D Q T 5 + 0 0 61 -3,-0.2 2,-0.3 -2,-0.2 230,-0.3 -0.553 57.3 137.9 -68.0 117.5 8.0 24.3 70.2 54 39 D E E < -J 49 0C 68 -5,-1.0 -5,-2.9 -2,-0.5 2,-0.3 -0.986 57.8-101.1-161.3 151.9 8.9 23.8 66.6 55 40 D L E +J 48 0C 24 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.604 33.8 177.8 -73.0 135.7 9.6 25.6 63.3 56 41 D L E - 0 0 28 -9,-3.7 2,-0.3 1,-0.4 169,-0.2 0.800 52.6 -41.0-102.0 -49.7 6.6 25.4 61.0 57 42 D b E -J 47 0C 7 -10,-1.2 -10,-3.2 169,-0.1 -1,-0.4 -0.959 54.9 -91.0-166.7 171.3 7.5 27.4 57.9 58 43 D G E +J 46 0C 2 169,-3.0 12,-0.4 -2,-0.3 2,-0.3 -0.435 39.3 171.6 -87.5 172.1 9.1 30.5 56.5 59 44 D A E -J 45 0C 0 -14,-1.2 -14,-2.2 -2,-0.2 2,-0.3 -0.885 22.0-126.9-165.9 178.8 7.2 33.6 55.9 60 45 D S E -JL 44 68C 0 8,-2.5 8,-2.6 -2,-0.3 2,-0.6 -0.990 14.4-119.1-145.7 152.7 8.2 37.2 55.0 61 46 D L E + L 0 67C 0 -18,-1.8 86,-2.4 -2,-0.3 6,-0.2 -0.807 30.7 167.2 -98.7 121.5 7.6 40.7 56.3 62 47 D I - 0 0 22 4,-2.3 2,-0.3 -2,-0.6 5,-0.2 0.569 68.7 -6.6-108.7 -13.3 5.8 43.1 54.0 63 48 D S S S- 0 0 37 3,-1.2 -1,-0.2 85,-0.1 75,-0.1 -0.876 86.0 -84.0-160.3-174.9 4.9 46.0 56.4 64 49 D D S S+ 0 0 69 -2,-0.3 74,-2.1 1,-0.2 72,-0.1 0.706 129.0 31.4 -77.6 -18.1 5.1 46.6 60.1 65 50 D R S S+ 0 0 57 72,-0.2 69,-3.1 1,-0.1 2,-0.4 0.569 109.8 73.8-108.4 -16.0 1.8 44.8 60.7 66 51 D W E - M 0 133C 9 67,-0.2 -4,-2.3 65,-0.0 -3,-1.2 -0.890 46.6-175.9-121.1 137.6 1.7 42.1 57.9 67 52 D V E -LM 61 132C 0 65,-2.3 65,-2.6 -2,-0.4 2,-0.3 -0.969 15.0-149.2-125.1 133.0 3.5 38.8 57.2 68 53 D L E +LM 60 131C 0 -8,-2.6 -8,-2.5 -2,-0.4 2,-0.3 -0.774 26.7 152.0-102.7 146.2 3.1 36.8 54.0 69 54 D T E - M 0 130C 0 61,-2.1 61,-2.1 -2,-0.3 2,-0.3 -0.956 50.0 -74.6-162.1 169.9 3.4 32.9 53.9 70 55 D A > - 0 0 0 -12,-0.4 3,-1.5 -2,-0.3 4,-0.4 -0.605 37.4-132.2 -75.7 137.0 2.2 29.9 52.0 71 56 D A G >> S+ 0 0 0 -2,-0.3 4,-2.3 1,-0.2 3,-2.0 0.881 103.9 64.5 -53.6 -39.3 -1.4 29.0 52.7 72 57 D H G 34 S+ 0 0 26 1,-0.3 -1,-0.2 2,-0.2 176,-0.0 0.659 88.2 68.9 -66.9 -11.7 -0.5 25.3 53.2 73 58 D b G <4 S+ 0 0 1 -3,-1.5 -1,-0.3 1,-0.1 -2,-0.2 0.794 114.9 26.5 -69.8 -27.1 1.6 26.3 56.2 74 59 D L T <4 S+ 0 0 1 -3,-2.0 9,-2.6 -4,-0.4 2,-0.5 0.817 128.9 32.3-102.5 -41.5 -1.6 27.1 58.1 75 60 D L E < +P 82 0D 31 -4,-2.3 -1,-0.3 7,-0.2 7,-0.2 -0.975 55.2 139.2-130.4 117.5 -4.3 24.9 56.5 76 60AD Y E > > -P 81 0D 52 5,-3.5 3,-2.2 -2,-0.5 5,-1.8 -0.493 21.5-174.5-155.8 82.7 -3.8 21.5 55.0 77 60BD P G > 5S+ 0 0 45 0, 0.0 3,-2.6 0, 0.0 -1,-0.1 0.792 77.9 69.2 -51.8 -38.5 -6.7 19.1 55.9 78 60CD P G 3 5S+ 0 0 70 0, 0.0 44,-0.0 0, 0.0 0, 0.0 0.732 112.6 34.3 -58.3 -16.7 -5.3 16.0 54.4 79 60DD W G < 5S- 0 0 190 -3,-2.2 3,-0.1 2,-0.1 0, 0.0 0.166 119.1-108.5-116.7 17.5 -2.7 16.1 57.2 80 60ED D T < 5 + 0 0 154 -3,-2.6 2,-0.7 1,-0.2 -5,-0.0 0.861 66.7 153.5 55.2 39.7 -5.1 17.6 59.8 81 60FD K E < +P 76 0D 52 -5,-1.8 -5,-3.5 1,-0.1 -1,-0.2 -0.889 3.4 140.4-100.0 110.0 -3.4 20.9 59.7 82 60GD N E -P 75 0D 123 -2,-0.7 -7,-0.2 -7,-0.2 2,-0.1 -0.499 30.5-167.4-147.3 74.2 -5.7 23.7 60.6 83 60HD F - 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