==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-SEP-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 13-DEC-99 1DM4 . COMPND 2 MOLECULE: PROTEIN (ALPHA THROMBIN:LIGHT CHAIN); . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR R.KRISHNAN,E.J.SADLER,A.TULINSKY . 295 4 4 3 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12447.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 187 63.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 76 25.8 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 . 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 . 2 0.7 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 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 31 10.5 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 1 0 0 3 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 . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 3 5 0 4 4 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 1 0 0 1 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 1HA T 0 0 13 0, 0.0 5,-0.4 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 -88.5 110.4 8.9 56.6 2 1GA F > + 0 0 82 3,-0.4 3,-5.1 1,-0.1 152,-1.2 0.670 360.0 60.7 -92.9-117.6 114.0 7.9 56.2 3 1FA G B 3 S-a 154 0A 18 1,-0.4 153,-0.2 272,-0.1 -1,-0.1 -0.181 136.3 -14.5 -41.1 81.1 115.6 4.7 55.0 4 1EA S T 3 S- 0 0 34 150,-1.8 -1,-0.4 -2,-0.9 3,-0.2 0.636 118.0-129.9 78.7 28.7 114.4 4.1 51.5 5 1DA G < - 0 0 10 -3,-5.1 -3,-0.4 149,-0.3 148,-0.2 0.274 48.8 -2.4 41.6-149.8 112.0 6.8 52.6 6 1CA E S S- 0 0 55 61,-0.5 -1,-0.2 146,-0.4 -4,-0.1 0.700 77.2-104.7 -34.9 -71.5 108.3 7.3 52.7 7 1BA A S S+ 0 0 74 -3,-0.2 -1,-0.1 2,-0.1 146,-0.0 -0.231 115.1 25.6 154.5 -41.0 106.2 4.6 51.1 8 1AA D S > S+ 0 0 60 144,-0.1 3,-1.5 143,-0.0 145,-0.1 0.046 90.5 134.2-128.8 10.6 105.2 6.2 47.8 9 1 A a T 3 + 0 0 1 1,-0.2 143,-0.3 -5,-0.2 144,-0.1 -0.408 63.7 35.2 -61.1 147.4 108.2 8.5 47.8 10 2 A G T 3 S+ 0 0 0 141,-1.6 2,-0.8 236,-0.2 -1,-0.2 0.086 91.8 101.1 94.5 -25.4 109.9 8.6 44.4 11 3 A L < - 0 0 29 -3,-1.5 -1,-0.1 140,-0.2 235,-0.1 -0.860 64.0-151.2-101.3 107.9 106.7 8.2 42.4 12 4 A R > > - 0 0 0 -2,-0.8 5,-2.1 1,-0.1 3,-1.4 -0.619 13.7-133.5 -81.7 134.2 105.7 11.7 41.0 13 5 A P T 3 5S+ 0 0 13 0, 0.0 5,-0.2 0, 0.0 -1,-0.1 0.895 104.6 43.3 -49.4 -52.7 102.0 12.3 40.5 14 6 A L T 3 5S+ 0 0 38 133,-0.5 31,-0.1 30,-0.3 133,-0.1 0.334 127.6 18.5 -80.3 2.3 102.5 13.9 37.1 15 7 A F T X >S+ 0 0 17 -3,-1.4 5,-1.3 29,-0.1 3,-1.1 0.364 125.2 26.5-131.9 -92.8 105.1 11.3 35.7 16 8 A E G > 5S+ 0 0 21 1,-0.3 3,-0.7 3,-0.2 -2,-0.1 0.816 122.5 55.9 -52.4 -28.6 105.8 7.8 37.0 17 9 A K G 3 - 0 0 14 -2,-0.2 3,-0.5 1,-0.1 4,-0.3 -0.255 43.1 -91.3 -89.3-176.4 110.3 14.1 31.6 23 14AA K T 3 S+ 0 0 117 1,-0.2 -1,-0.1 2,-0.1 -2,-0.0 0.522 116.7 15.3 -67.2 -14.6 112.4 15.6 28.9 24 14BA T T 3> S+ 0 0 36 2,-0.1 4,-0.5 3,-0.0 3,-0.5 0.184 79.7 109.7-152.1 25.1 115.6 14.2 30.2 25 14CA E H X> S+ 0 0 11 -3,-0.5 4,-1.6 1,-0.2 3,-1.2 0.847 80.7 65.8 -70.4 -30.5 115.3 11.3 32.7 26 14DA R H 3> S+ 0 0 155 -4,-0.3 4,-3.4 1,-0.3 -1,-0.2 0.739 88.4 64.9 -59.9 -32.2 116.6 9.0 29.9 27 14EA E H 3> S+ 0 0 51 -3,-0.5 4,-1.8 2,-0.2 -1,-0.3 0.863 104.3 48.0 -60.5 -34.3 120.0 10.8 29.9 28 14FA L H < S+ 0 0 81 -4,-1.6 3,-0.7 1,-0.3 4,-0.4 0.933 113.4 48.3 -47.6 -51.8 119.3 5.8 32.4 30 14HA E H >< S+ 0 0 96 -4,-3.4 3,-1.4 1,-0.3 -1,-0.3 0.864 103.9 60.1 -62.1 -31.3 121.7 6.0 29.6 31 14IA S H 3< S+ 0 0 24 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.870 110.1 43.6 -65.0 -29.9 124.4 7.3 31.9 32 14JA Y T << 0 0 15 -4,-1.8 -1,-0.3 -3,-0.7 -2,-0.2 0.468 360.0 360.0 -91.6 1.9 124.0 4.0 33.8 33 14KA I < 0 0 169 -3,-1.4 -1,-0.2 -4,-0.4 -2,-0.1 0.014 360.0 360.0 63.7 360.0 123.8 1.9 30.6 34 !* 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 35 16 B I 0 0 1 0, 0.0 2,-0.4 0, 0.0 193,-0.2 0.000 360.0 360.0 360.0 139.7 122.3 26.4 38.4 36 17 B V B +B 227 0B 8 191,-2.6 191,-1.7 1,-0.1 143,-0.1 -0.958 360.0 2.5-114.3 126.9 124.7 27.1 35.6 37 18 B E S S+ 0 0 111 141,-0.5 188,-0.2 -2,-0.4 -1,-0.1 0.720 103.9 110.3 70.6 25.6 124.3 25.5 32.2 38 19 B G - 0 0 27 -3,-0.1 2,-0.3 189,-0.1 153,-0.3 -0.273 59.2-121.4-111.9-161.8 121.1 23.7 33.1 39 20 B S E -C 190 0C 63 151,-3.2 151,-3.6 -2,-0.1 2,-0.2 -0.824 35.1 -64.9-143.3 174.2 117.6 24.4 31.9 40 21 B D E -C 189 0C 87 -2,-0.3 149,-0.3 149,-0.3 148,-0.1 -0.414 53.1-122.7 -59.9 130.4 114.0 25.2 33.0 41 22 B A - 0 0 6 147,-4.1 2,-0.3 -2,-0.2 -1,-0.1 -0.064 23.6-118.3 -63.5 178.3 112.4 22.5 35.2 42 23 B E > - 0 0 55 147,-0.1 3,-2.1 1,-0.0 4,-0.3 -0.905 40.2 -87.4-119.2 136.8 109.1 21.1 34.0 43 24 B I T 3 S+ 0 0 90 -2,-0.3 57,-0.1 1,-0.3 56,-0.1 -0.240 113.5 5.2 -49.6 137.0 106.0 21.4 36.2 44 25 B G T 3 S+ 0 0 11 54,-0.1 -30,-0.3 104,-0.1 -1,-0.3 0.545 95.5 117.5 63.6 14.3 105.8 18.6 38.8 45 26 B M S < S+ 0 0 2 -3,-2.1 -2,-0.1 1,-0.2 -1,-0.1 0.695 85.1 28.1 -81.4 -26.1 109.2 17.3 37.7 46 27 B S > + 0 0 12 -4,-0.3 3,-2.4 102,-0.1 -1,-0.2 -0.490 68.9 165.6-137.4 61.9 110.7 17.9 41.1 47 28 B P T 3 S+ 0 0 2 0, 0.0 103,-1.9 0, 0.0 99,-0.1 0.413 76.8 53.5 -56.7 -11.0 107.8 17.6 43.6 48 29 B W T 3 S+ 0 0 1 101,-0.2 18,-0.9 103,-0.1 2,-0.5 0.298 75.8 121.5-104.5 -0.7 110.2 17.4 46.7 49 30 B Q E < -L 65 0D 3 -3,-2.4 49,-0.7 16,-0.2 2,-0.4 -0.523 44.2-175.4 -63.9 110.7 112.0 20.6 45.7 50 31 B V E -LM 64 97D 0 14,-3.0 14,-2.6 -2,-0.5 2,-0.4 -0.916 17.0-141.4-113.5 144.9 111.5 22.8 48.8 51 32 B M E -LM 63 96D 0 45,-2.1 45,-2.3 -2,-0.4 2,-0.7 -0.925 9.6-140.1-105.9 123.5 112.6 26.5 49.0 52 33 B L E -LM 62 95D 0 10,-1.8 9,-3.3 -2,-0.4 10,-1.3 -0.795 31.0-162.6 -89.7 113.2 114.1 27.8 52.3 53 34 B F E -LM 60 94D 22 41,-3.2 41,-2.5 -2,-0.7 2,-0.5 -0.825 17.3-130.7-110.4 142.6 112.7 31.3 52.6 54 35 B R E - M 0 93D 70 5,-5.1 5,-0.4 -2,-0.4 39,-0.2 -0.713 8.4-152.5 -90.0 126.8 113.6 34.3 54.7 55 36 B K S S+ 0 0 91 37,-2.3 3,-0.5 -2,-0.5 -1,-0.1 0.871 78.1 21.6 -63.4 -48.7 110.9 36.0 56.6 56 36AB S S S+ 0 0 107 1,-0.7 -1,-0.3 36,-0.4 2,-0.1 -0.713 125.3 38.6-171.9 116.7 112.3 39.6 56.7 57 37 B P S S- 0 0 73 0, 0.0 2,-1.0 0, 0.0 -1,-0.7 0.364 106.0-136.0 -64.1 127.4 114.3 40.5 54.9 58 38 B Q + 0 0 153 -3,-0.5 2,-0.3 -2,-0.1 -3,-0.2 -0.475 51.5 144.7 -57.2 99.0 111.9 38.4 52.8 59 39 B E - 0 0 72 -2,-1.0 -5,-5.1 -5,-0.4 2,-0.4 -0.913 55.6-117.5-140.4 157.1 114.7 36.6 50.8 60 40 B L E +L 53 0D 47 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.857 33.0 175.4 -89.6 134.6 115.3 33.1 49.4 61 41 B L E - 0 0 25 -9,-3.3 2,-0.3 -2,-0.4 170,-0.2 0.714 53.7 -35.7-117.7 -22.5 118.3 31.6 51.2 62 42 B b E -L 52 0D 1 -10,-1.3 -10,-1.8 170,-0.1 -1,-0.3 -0.860 55.8-102.4-169.3-163.3 118.6 28.1 49.9 63 43 B G E +L 51 0D 4 170,-1.9 12,-0.4 -12,-0.3 2,-0.3 -0.728 30.8 172.1-133.6 170.5 116.7 25.0 48.7 64 44 B A E -L 50 0D 0 -14,-2.6 -14,-3.0 -2,-0.2 2,-0.3 -0.835 25.3-113.9-167.1-176.2 115.9 21.7 50.6 65 45 B S E -LN 49 73D 0 8,-2.0 8,-2.4 -2,-0.3 2,-0.5 -0.913 17.6-119.2-135.9 160.7 113.8 18.6 49.9 66 46 B L E + N 0 72D 0 -18,-0.9 86,-1.8 -2,-0.3 6,-0.2 -0.856 29.4 169.1 -97.4 124.8 110.6 16.9 51.5 67 47 B I S S- 0 0 0 4,-1.8 -61,-0.5 -2,-0.5 2,-0.2 0.558 72.9 -1.6-112.5 -13.6 111.2 13.4 52.8 68 48 B S S S- 0 0 5 3,-1.0 75,-0.1 -63,-0.1 84,-0.1 -0.698 92.3 -83.6-149.0-159.9 107.9 13.0 54.8 69 49 B D S S+ 0 0 63 -2,-0.2 74,-3.2 1,-0.2 72,-0.1 0.622 127.3 25.6 -93.8 -9.1 104.9 15.3 55.4 70 50 B R S S+ 0 0 69 72,-0.3 69,-1.6 1,-0.1 2,-0.4 0.067 106.1 77.9-131.8 12.8 106.7 17.0 58.3 71 51 B W E - O 0 138D 1 67,-0.2 -4,-1.8 65,-0.1 -3,-1.0 -0.999 50.8-173.0-129.6 133.9 110.5 16.6 57.8 72 52 B V E -NO 66 137D 0 65,-2.7 65,-2.0 -2,-0.4 2,-0.4 -0.973 12.1-147.0-127.8 137.6 112.7 18.7 55.4 73 53 B L E +NO 65 136D 0 -8,-2.4 -8,-2.0 -2,-0.4 2,-0.3 -0.842 31.1 144.0-102.1 140.1 116.4 18.1 54.6 74 54 B T E - O 0 135D 0 61,-2.1 61,-1.8 -2,-0.4 2,-0.3 -0.903 52.1 -71.5-157.7-179.0 118.8 20.9 53.8 75 55 B A >> - 0 0 0 -12,-0.4 3,-2.2 -2,-0.3 4,-0.8 -0.666 32.6-134.8 -88.5 137.8 122.5 21.9 54.3 76 56 B A H >> S+ 0 0 0 -2,-0.3 4,-4.2 1,-0.3 3,-1.0 0.902 106.7 62.4 -57.4 -38.3 123.6 22.9 57.8 77 57 B H H 34 S+ 0 0 0 1,-0.2 -1,-0.3 2,-0.2 4,-0.1 0.588 92.5 65.6 -67.5 -5.0 125.4 25.8 56.4 78 58 B b H <4 S+ 0 0 0 -3,-2.2 -1,-0.2 2,-0.1 -2,-0.2 0.832 117.7 24.4 -80.0 -36.3 122.0 27.1 55.1 79 59 B L H << S+ 0 0 1 -3,-1.0 9,-1.9 -4,-0.8 2,-0.5 0.880 135.6 27.2 -96.1 -48.4 120.9 27.6 58.7 80 60 B L < + 0 0 43 -4,-4.2 -1,-0.2 7,-0.2 7,-0.2 -0.918 61.1 140.1-130.8 113.1 124.3 28.0 60.5 81 60AB Y > > - 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