==== 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 26-JAN-99 1THP . COMPND 2 MOLECULE: PROTEIN (THROMBIN LIGHT CHAIN); . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.CACCIA,K.FUTTERER,E.DI CERA,G.WAKSMAN . 277 4 4 3 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12331.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 169 61.0 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 27.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 1.1 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 . 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 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 26 9.4 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 0 1 1 2 0 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 . 3 5 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 1BA A 0 0 127 0, 0.0 2,-1.4 0, 0.0 146,-0.0 0.000 360.0 360.0 360.0 169.9 15.4 20.0 43.4 2 1AA D + 0 0 71 2,-0.1 2,-0.3 144,-0.0 0, 0.0 -0.645 360.0 118.2 -89.4 79.7 13.7 19.3 40.1 3 1 A a + 0 0 20 -2,-1.4 143,-0.2 141,-0.1 3,-0.1 -0.961 52.6 25.5-142.9 162.8 16.4 20.5 37.7 4 2 A G S S+ 0 0 0 141,-1.9 236,-1.0 -2,-0.3 2,-0.6 0.403 90.5 106.1 68.4 -3.3 18.7 19.4 34.9 5 3 A L - 0 0 28 140,-0.3 -1,-0.1 234,-0.2 234,-0.1 -0.932 58.8-151.1-114.8 117.0 16.4 16.5 34.0 6 4 A R > > - 0 0 0 -2,-0.6 5,-2.2 1,-0.1 3,-1.9 -0.709 10.2-143.5 -90.0 122.8 14.4 16.7 30.8 7 5 A P T 3 5S+ 0 0 12 0, 0.0 -1,-0.1 0, 0.0 134,-0.1 0.860 102.0 46.2 -46.9 -44.8 11.1 14.9 30.5 8 6 A L T 3 5S+ 0 0 29 133,-0.5 31,-0.1 30,-0.3 133,-0.0 0.456 129.3 18.6 -83.2 -0.6 11.6 14.0 26.9 9 7 A F T X >S+ 0 0 17 -3,-1.9 5,-3.0 29,-0.1 3,-1.3 0.457 129.2 25.4-130.9 -84.6 15.1 12.9 27.3 10 8 A E G > 5S+ 0 0 14 1,-0.3 3,-1.5 3,-0.2 -5,-0.1 0.911 123.3 53.2 -55.4 -41.4 16.7 11.9 30.6 11 9 A K G 3 > S+ 0 0 41 1,-0.1 3,-1.6 2,-0.1 4,-0.8 0.529 85.9 96.3-120.7 -2.1 24.6 15.5 20.3 19 14CA E H 3> S+ 0 0 9 -3,-0.4 4,-2.2 1,-0.3 5,-0.1 0.629 78.4 67.9 -63.9 -13.3 25.1 15.1 24.0 20 14DA R H 3> S+ 0 0 133 -4,-0.3 4,-3.0 2,-0.2 -1,-0.3 0.809 91.8 60.5 -73.8 -30.0 27.5 12.2 23.4 21 14EA E H <> S+ 0 0 75 -3,-1.6 4,-1.5 2,-0.2 -1,-0.2 0.891 108.1 45.9 -61.6 -38.5 29.9 14.8 21.9 22 14FA L H X S+ 0 0 0 -4,-0.8 4,-0.8 2,-0.2 141,-0.4 0.959 113.7 45.7 -70.0 -52.7 29.9 16.3 25.4 23 14GA L H >X S+ 0 0 59 -4,-2.2 4,-1.2 1,-0.2 3,-1.0 0.907 112.1 52.7 -57.8 -41.6 30.2 13.1 27.3 24 14HA E H 3< S+ 0 0 107 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.847 99.3 63.5 -63.7 -34.9 33.0 12.0 25.0 25 14IA S H 3< S+ 0 0 20 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.740 101.2 50.7 -62.9 -22.3 34.9 15.3 25.6 26 14JA Y H << 0 0 30 -3,-1.0 -1,-0.3 -4,-0.8 -2,-0.2 0.868 360.0 360.0 -77.1 -35.9 35.2 14.3 29.2 27 14KA I < 0 0 166 -4,-1.2 -1,-0.2 -5,-0.2 -2,-0.1 -0.816 360.0 360.0 96.9 360.0 36.6 11.0 27.7 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 B I 0 0 0 0, 0.0 2,-0.5 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 126.0 24.3 31.3 17.2 30 17 B V B -A 220 0A 13 190,-2.3 190,-1.4 1,-0.2 143,-0.1 -0.837 360.0 -4.1-101.2 124.4 26.8 30.8 14.5 31 18 B E S S+ 0 0 126 -2,-0.5 -1,-0.2 141,-0.5 187,-0.2 0.824 98.4 132.4 66.8 36.6 27.2 27.4 12.9 32 19 B G - 0 0 27 -3,-0.4 2,-0.3 152,-0.1 152,-0.2 -0.318 50.3-116.5-103.4-168.1 24.8 25.6 15.2 33 20 B S E -B 183 0B 61 150,-2.5 150,-2.4 -2,-0.1 2,-0.0 -0.912 36.1 -83.7-131.7 158.1 21.9 23.3 14.5 34 21 B D E -B 182 0B 103 -2,-0.3 148,-0.2 148,-0.2 2,-0.2 -0.350 52.3-112.3 -61.7 136.5 18.1 23.4 15.0 35 22 B A - 0 0 20 146,-3.0 2,-0.2 59,-0.1 146,-0.1 -0.447 24.4-120.3 -71.6 140.2 17.2 22.4 18.6 36 23 B E > - 0 0 59 -2,-0.2 3,-1.9 1,-0.1 4,-0.3 -0.528 45.4 -88.6 -74.3 149.6 15.3 19.2 19.1 37 24 B I T 3 S+ 0 0 109 1,-0.3 -1,-0.1 -2,-0.2 57,-0.0 -0.410 112.5 8.0 -61.1 129.4 11.9 19.8 20.8 38 25 B G T 3 S+ 0 0 6 -2,-0.1 -30,-0.3 104,-0.1 -1,-0.3 0.512 93.3 117.7 78.3 5.5 12.3 19.7 24.6 39 26 B M S < S+ 0 0 6 -3,-1.9 -2,-0.1 1,-0.3 3,-0.1 0.711 84.9 28.3 -78.6 -20.8 16.1 19.6 24.5 40 27 B S S > S+ 0 0 14 -4,-0.3 3,-1.8 102,-0.1 -1,-0.3 -0.557 70.2 162.9-138.2 68.0 16.6 22.9 26.3 41 28 B P T 3 S+ 0 0 3 0, 0.0 103,-1.3 0, 0.0 51,-0.2 0.640 73.1 61.0 -63.6 -16.9 13.4 23.2 28.5 42 29 B W T 3 S+ 0 0 4 101,-0.2 18,-2.6 103,-0.1 104,-0.2 0.424 77.2 128.0 -89.5 -0.2 15.1 25.9 30.7 43 30 B Q E < -J 59 0C 14 -3,-1.8 49,-0.8 16,-0.2 2,-0.4 -0.354 39.2-169.7 -62.1 131.4 15.4 28.2 27.7 44 31 B V E -JK 58 91C 0 14,-2.3 14,-1.4 47,-0.1 2,-0.5 -0.960 13.9-149.3-127.9 143.6 14.0 31.7 28.2 45 32 B M E -JK 57 90C 4 45,-2.5 45,-2.2 -2,-0.4 2,-0.7 -0.951 9.0-150.3-113.4 123.2 13.4 34.5 25.8 46 33 B L E -JK 56 89C 0 10,-2.4 9,-3.3 -2,-0.5 10,-1.6 -0.842 22.9-177.3 -96.4 112.4 13.7 38.2 27.0 47 34 B F E -JK 54 88C 20 41,-2.1 41,-2.0 -2,-0.7 2,-0.4 -0.794 32.3-119.4-111.6 150.2 11.4 40.5 25.0 48 35 B R E > -JK 53 87C 71 5,-3.0 5,-1.4 -2,-0.3 39,-0.2 -0.707 27.8-139.8 -80.2 135.2 10.7 44.2 25.0 49 36 B K T 5S+ 0 0 115 37,-3.1 3,-0.2 -2,-0.4 -1,-0.2 0.927 79.2 51.5 -65.6 -47.7 7.0 44.5 25.9 50 36AB S T 5S+ 0 0 90 36,-0.5 -1,-0.2 1,-0.4 2,-0.2 -0.907 118.0 18.0-150.6 120.6 6.2 47.3 23.5 51 37 B P T 5S- 0 0 76 0, 0.0 -1,-0.4 0, 0.0 2,-0.2 0.582 106.9-111.0 -74.5 160.8 6.9 47.3 20.7 52 38 B Q T 5 + 0 0 155 -3,-0.2 2,-0.3 -2,-0.2 -3,-0.2 -0.382 54.4 158.3 -58.7 120.6 7.3 43.5 20.8 53 39 B E E < -J 48 0C 88 -5,-1.4 -5,-3.0 -2,-0.2 2,-0.4 -0.915 44.1-125.4-153.9 124.9 11.1 42.8 20.3 54 40 B L E +J 47 0C 32 -2,-0.3 -7,-0.3 -7,-0.2 3,-0.1 -0.521 34.5 172.0 -68.9 121.6 13.3 39.8 21.1 55 41 B L E - 0 0 25 -9,-3.3 2,-0.3 -2,-0.4 -8,-0.2 0.847 49.5 -35.3-100.8 -43.2 16.1 41.3 23.2 56 42 B b E -J 46 0C 8 -10,-1.6 -10,-2.4 169,-0.1 -1,-0.3 -0.931 59.0 -88.2-164.7-176.0 18.2 38.4 24.6 57 43 B G E +J 45 0C 4 169,-3.0 12,-0.4 -2,-0.3 2,-0.3 -0.456 39.2 170.7-101.9 175.2 18.3 34.9 25.9 58 44 B A E -J 44 0C 0 -14,-1.4 -14,-2.3 -2,-0.2 2,-0.3 -0.946 21.1-122.4-169.0-179.1 17.9 33.7 29.4 59 45 B S E -JL 43 67C 0 8,-1.9 8,-3.2 -2,-0.3 2,-0.5 -0.993 14.8-124.5-150.3 140.6 17.4 30.6 31.6 60 46 B L E + L 0 66C 0 -18,-2.6 86,-2.7 -2,-0.3 6,-0.2 -0.696 30.5 165.5 -82.8 118.3 14.9 29.2 34.1 61 47 B I S S- 0 0 20 4,-2.2 2,-0.3 -2,-0.5 5,-0.2 0.447 71.7 -1.8-113.0 -4.2 16.6 28.3 37.4 62 48 B S S S- 0 0 33 3,-1.0 -1,-0.2 85,-0.1 84,-0.1 -0.909 89.7 -86.4-167.5 177.5 13.5 27.8 39.5 63 49 B D S S+ 0 0 70 -2,-0.3 74,-2.7 1,-0.2 3,-0.1 0.547 128.8 26.8 -79.8 1.8 9.8 28.2 38.8 64 50 B R S S+ 0 0 46 72,-0.2 69,-3.3 1,-0.1 2,-0.4 0.404 107.3 79.0-136.3 -5.5 10.1 31.9 39.7 65 51 B W E - M 0 132C 20 67,-0.2 -4,-2.2 65,-0.0 -3,-1.0 -0.928 50.2-170.6-117.7 136.7 13.7 32.9 38.9 66 52 B V E -LM 60 131C 0 65,-1.9 65,-3.0 -2,-0.4 2,-0.4 -0.988 11.8-149.3-125.7 126.2 15.3 33.7 35.5 67 53 B L E +LM 59 130C 0 -8,-3.2 -8,-1.9 -2,-0.4 2,-0.2 -0.780 29.5 149.1 -96.6 135.6 19.0 34.1 35.0 68 54 B T E - M 0 129C 0 61,-2.6 61,-2.4 -2,-0.4 2,-0.4 -0.822 48.5 -76.6-147.8-173.9 20.3 36.4 32.3 69 55 B A > - 0 0 0 -12,-0.4 3,-1.3 59,-0.3 4,-0.3 -0.757 33.1-133.8 -93.8 142.5 23.2 38.7 31.4 70 56 B A G >> S+ 0 0 0 -2,-0.4 4,-3.0 1,-0.3 3,-2.3 0.884 103.3 61.8 -61.9 -38.7 23.3 42.2 33.0 71 57 B H G 34 S+ 0 0 3 1,-0.3 -1,-0.3 2,-0.2 155,-0.0 0.631 90.0 69.7 -66.2 -9.4 24.0 44.0 29.8 72 58 B b G <4 S+ 0 0 1 -3,-1.3 -1,-0.3 1,-0.1 -2,-0.2 0.687 117.0 23.1 -78.0 -14.9 20.8 42.7 28.4 73 59 B L T <4 S+ 0 0 1 -3,-2.3 9,-2.5 -4,-0.3 2,-0.4 0.696 130.4 34.4-117.4 -36.6 19.1 45.1 30.8 74 60 B L E < +P 81 0D 35 -4,-3.0 -1,-0.3 7,-0.2 7,-0.2 -0.930 58.9 133.2-133.0 110.2 21.7 47.8 31.6 75 60AB Y E > > -P 80 0D 15 5,-2.2 3,-2.1 -2,-0.4 5,-1.8 -0.591 26.0-171.3-154.3 84.7 24.2 49.1 29.1 76 60BB P G > 5S+ 0 0 56 0, 0.0 3,-2.9 0, 0.0 -1,-0.1 0.834 82.4 65.2 -46.4 -43.9 24.5 52.9 29.0 77 60CB P G 3 5S+ 0 0 76 0, 0.0 44,-0.0 0, 0.0 -2,-0.0 0.766 109.3 40.9 -56.4 -21.1 26.7 53.0 25.9 78 60DB W G < 5S- 0 0 129 -3,-2.1 3,-0.1 2,-0.1 -3,-0.0 0.125 121.5-106.5-110.9 18.9 23.8 51.5 23.9 79 60EB D T < 5S+ 0 0 153 -3,-2.9 2,-0.5 1,-0.2 -5,-0.0 0.897 71.1 152.4 59.1 39.7 21.2 53.7 25.6 80 60FB K E < +P 75 0D 38 -5,-1.8 -5,-2.2 2,-0.0 -1,-0.2 -0.905 10.6 129.9-111.9 126.5 20.0 50.6 27.6 81 60GB N E -P 74 0D 118 -2,-0.5 -7,-0.2 -7,-0.2 2,-0.1 -0.424 31.3-176.1-169.2 77.1 18.4 50.7 31.0 82 60HB F - 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