==== 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 23-FEB-04 1SGI . COMPND 2 MOLECULE: THROMBIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.O.PINEDA,C.J.CARRELL,L.A.BUSH,S.PRASAD,S.CACCIA,Z.W.CHEN, . 561 6 8 6 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24040.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 352 62.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 154 27.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 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 . 44 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 59 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 54 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 2.1 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 1 3 1 1 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 . 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 . 6 10 0 8 6 4 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 . 2 0 0 0 0 2 0 2 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 1DA G 0 0 108 0, 0.0 336,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -48.1 35.2 25.6 0.1 2 1CA E > - 0 0 24 1,-0.2 3,-1.2 2,-0.0 2,-0.0 0.583 360.0-177.2-109.9 -6.5 38.2 26.5 -2.0 3 1BA A T 3 S- 0 0 86 1,-0.2 -1,-0.2 334,-0.1 0, 0.0 -0.277 71.9 -22.5 50.4-119.2 39.5 23.1 -3.3 4 1AA D T > S+ 0 0 72 147,-0.1 3,-1.6 -2,-0.0 -1,-0.2 0.633 95.4 130.9 -97.3 -20.7 42.8 23.9 -5.3 5 1 A a T < S+ 0 0 19 -3,-1.2 146,-0.3 1,-0.2 147,-0.2 0.096 70.5 19.1 -33.6 136.3 42.2 27.5 -6.2 6 2 A G T 3 S+ 0 0 0 144,-2.8 240,-1.0 239,-0.2 2,-0.7 0.425 91.5 112.2 85.1 -6.7 45.2 29.9 -5.5 7 3 A L < - 0 0 30 -3,-1.6 -1,-0.1 143,-0.3 238,-0.1 -0.901 59.8-142.8-108.8 106.6 48.0 27.2 -5.3 8 4 A R > > - 0 0 0 -2,-0.7 5,-2.3 1,-0.1 3,-1.4 -0.502 5.2-141.9 -71.6 127.8 50.4 27.5 -8.2 9 5 A P T 3 5S+ 0 0 17 0, 0.0 -1,-0.1 0, 0.0 137,-0.1 0.860 102.0 45.0 -54.8 -41.5 51.8 24.1 -9.5 10 6 A L T 3 5S+ 0 0 28 136,-0.5 34,-0.1 33,-0.3 -2,-0.1 0.450 130.3 17.0 -86.3 0.4 55.3 25.5 -10.1 11 7 A F T X >S+ 0 0 14 -3,-1.4 5,-2.1 32,-0.1 3,-1.3 0.425 126.7 29.7-131.5 -89.0 55.5 27.2 -6.7 12 8 A E G > 5S+ 0 0 21 1,-0.3 3,-1.8 3,-0.2 -5,-0.1 0.903 122.6 53.4 -45.8 -47.6 53.2 26.6 -3.7 13 9 A K G 3 > S+ 0 0 33 1,-0.1 3,-2.8 2,-0.1 4,-0.9 0.516 88.1 109.5-103.7 -6.2 59.0 39.1 -5.3 21 14CA E H >> S+ 0 0 5 -3,-0.3 4,-1.4 1,-0.3 3,-0.5 0.790 78.9 49.0 -38.6 -47.0 56.6 37.0 -3.3 22 14DA R H 3> S+ 0 0 137 -4,-0.4 4,-3.0 1,-0.2 -1,-0.3 0.594 92.3 74.7 -79.0 -6.1 57.8 38.1 0.1 23 14EA E H <> S+ 0 0 46 -3,-2.8 4,-1.2 2,-0.2 -1,-0.2 0.939 104.4 42.1 -65.0 -42.2 57.7 41.8 -0.7 24 14FA L H XX S+ 0 0 0 -4,-0.9 3,-0.6 -3,-0.5 4,-0.5 0.943 112.6 53.7 -64.9 -49.0 54.0 41.3 -0.3 25 14GA L H >< S+ 0 0 69 -4,-1.4 3,-0.9 1,-0.3 4,-0.3 0.888 111.4 45.4 -51.8 -45.8 54.5 39.1 2.7 26 14HA E H >X>S+ 0 0 94 -4,-3.0 5,-1.1 1,-0.2 3,-1.0 0.709 97.8 71.5 -74.7 -21.9 56.5 41.8 4.4 27 14IA S H <<5S+ 0 0 10 -4,-1.2 -1,-0.2 -3,-0.6 -2,-0.2 0.624 85.1 69.7 -70.8 -11.5 54.1 44.6 3.5 28 14JA Y T <<5S+ 0 0 1 -3,-0.9 360,-0.3 -4,-0.5 -1,-0.2 0.824 97.4 49.4 -74.1 -30.7 51.7 43.2 6.1 29 14KA I T <45S- 0 0 72 -3,-1.0 -1,-0.2 -4,-0.3 3,-0.2 0.759 115.8-127.5 -74.5 -22.1 54.1 44.3 8.8 30 14LA D T <5S- 0 0 104 -4,-0.7 2,-0.2 1,-0.3 -3,-0.2 0.670 79.9 -8.1 82.4 23.0 54.0 47.6 6.9 31 14MA G < 0 0 45 -5,-1.1 -1,-0.3 1,-0.1 -2,-0.2 -0.772 360.0 360.0 166.1-112.4 57.7 47.8 6.6 32 15 A R 0 0 127 -2,-0.2 -1,-0.1 -3,-0.2 0, 0.0 -0.171 360.0 360.0-155.4 360.0 60.1 45.5 8.4 33 !* 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 34 16 B I 0 0 1 0, 0.0 3,-0.4 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 125.6 52.8 47.3 -16.7 35 17 B V B +A 226 0A 9 191,-2.7 191,-1.3 1,-0.2 143,-0.1 -0.799 360.0 1.6-101.4 141.9 55.1 50.2 -15.9 36 18 B E S S+ 0 0 123 141,-0.4 -1,-0.2 -2,-0.4 188,-0.1 0.801 103.2 121.6 54.5 32.0 58.2 49.8 -13.8 37 19 B G - 0 0 27 -3,-0.4 2,-0.3 153,-0.1 153,-0.2 -0.242 53.9-126.0-104.7-161.9 57.6 46.1 -13.5 38 20 B S E -B 189 0B 57 151,-1.9 151,-2.1 -2,-0.1 -3,-0.0 -0.967 35.2 -72.4-147.0 161.2 59.7 43.1 -14.4 39 21 B D E -B 188 0B 99 -2,-0.3 149,-0.2 149,-0.2 2,-0.1 -0.255 53.6-123.2 -53.0 136.2 59.5 40.0 -16.5 40 22 B A - 0 0 7 147,-3.1 2,-0.2 59,-0.2 -1,-0.1 -0.434 23.6-111.1 -79.6 158.4 57.3 37.4 -14.8 41 23 B E > - 0 0 57 1,-0.1 3,-2.2 -2,-0.1 4,-0.3 -0.595 48.7 -79.9 -86.5 154.4 58.7 33.9 -14.0 42 24 B I T 3 S- 0 0 89 1,-0.3 -1,-0.1 -2,-0.2 57,-0.1 -0.350 114.3 -3.6 -57.0 118.7 57.3 31.0 -15.9 43 25 B G T 3 S+ 0 0 13 -2,-0.2 -33,-0.3 55,-0.2 -1,-0.3 0.640 87.5 128.7 73.8 16.8 54.0 30.0 -14.3 44 26 B M S < S+ 0 0 7 -3,-2.2 -2,-0.1 1,-0.3 -1,-0.1 0.536 85.9 31.3 -80.9 -1.8 54.0 32.6 -11.5 45 27 B S > + 0 0 12 -4,-0.3 3,-1.9 102,-0.1 -1,-0.3 -0.436 69.5 164.7-150.8 64.9 50.5 33.7 -12.6 46 28 B P T 3 S+ 0 0 2 0, 0.0 103,-1.7 0, 0.0 51,-0.2 0.521 75.4 59.4 -62.2 -10.2 48.8 30.5 -14.1 47 29 B W T 3 S+ 0 0 2 101,-0.2 18,-2.1 103,-0.1 2,-0.2 0.447 75.9 122.1 -98.4 -4.0 45.4 32.2 -13.9 48 30 B Q E < -J 64 0C 2 -3,-1.9 49,-1.0 16,-0.2 2,-0.4 -0.406 44.6-166.5 -63.3 128.4 46.4 35.1 -16.2 49 31 B V E -JK 63 96C 0 14,-2.7 14,-1.2 47,-0.2 2,-0.5 -0.940 15.1-144.1-122.5 144.4 44.2 35.3 -19.2 50 32 B M E -JK 62 95C 0 45,-2.4 45,-2.7 -2,-0.4 2,-0.6 -0.921 12.9-146.1-107.9 122.8 44.7 37.2 -22.4 51 33 B L E -JK 61 94C 0 10,-3.0 9,-2.8 -2,-0.5 10,-1.1 -0.795 24.0-164.2 -89.1 121.0 41.5 38.6 -24.0 52 34 B F E -JK 59 93C 22 41,-3.1 41,-2.4 -2,-0.6 2,-0.4 -0.902 19.1-140.0-119.2 136.5 41.9 38.5 -27.8 53 35 B R E > -JK 58 92C 79 5,-2.6 5,-1.1 -2,-0.4 39,-0.2 -0.713 14.3-149.4 -85.2 132.4 40.0 40.2 -30.7 54 36 B K T 5S+ 0 0 82 37,-2.6 -1,-0.2 -2,-0.4 38,-0.1 0.986 74.9 44.7 -65.6 -62.2 39.5 37.8 -33.6 55 36AB S T 5S+ 0 0 104 1,-0.3 -1,-0.3 36,-0.3 2,-0.1 -0.961 120.7 24.3-139.8 118.0 39.5 40.3 -36.5 56 37 B P T 5S- 0 0 75 0, 0.0 -1,-0.3 0, 0.0 -3,-0.1 0.531 105.5-123.9 -73.0 151.2 41.5 42.3 -36.6 57 38 B Q T 5 + 0 0 167 -2,-0.1 2,-0.3 -3,-0.1 -3,-0.2 -0.393 52.9 134.9 -61.7 134.4 43.8 40.2 -34.4 58 39 B E E < -J 53 0C 75 -5,-1.1 -5,-2.6 -2,-0.1 2,-0.5 -0.899 59.2-100.7-178.9 150.1 44.9 42.1 -31.3 59 40 B L E +J 52 0C 18 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.678 38.3 173.6 -77.7 123.1 45.4 42.0 -27.6 60 41 B L E - 0 0 25 -9,-2.8 2,-0.3 -2,-0.5 170,-0.2 0.883 52.3 -31.9 -96.2 -52.1 42.4 43.7 -26.0 61 42 B b E -J 51 0C 8 -10,-1.1 -10,-3.0 170,-0.1 -1,-0.3 -0.935 55.1 -97.3-158.4 177.2 42.7 43.1 -22.2 62 43 B G E +J 50 0C 2 170,-3.2 12,-0.4 -2,-0.3 2,-0.3 -0.454 41.7 166.1 -95.7 173.7 43.9 41.0 -19.4 63 44 B A E -J 49 0C 0 -14,-1.2 -14,-2.7 -2,-0.2 2,-0.3 -0.943 23.3-118.2-171.7-178.4 41.6 38.6 -17.5 64 45 B S E -JL 48 72C 0 8,-2.4 8,-2.9 -2,-0.3 2,-0.5 -0.994 11.1-126.2-146.3 152.0 41.7 35.7 -15.1 65 46 B L E + L 0 71C 0 -18,-2.1 86,-2.3 -2,-0.3 6,-0.2 -0.822 30.5 162.7 -95.9 121.4 40.8 32.1 -14.8 66 47 B I S S+ 0 0 23 4,-2.2 2,-0.3 -2,-0.5 5,-0.2 0.423 71.1 5.1-117.1 -4.0 38.6 31.3 -11.7 67 48 B S S S- 0 0 38 3,-1.1 -1,-0.3 82,-0.0 75,-0.1 -0.952 85.5 -92.0-166.5 169.8 37.4 28.0 -12.8 68 49 B D S S+ 0 0 45 -2,-0.3 74,-3.1 1,-0.2 72,-0.1 0.612 128.5 25.3 -70.1 -9.3 37.9 25.5 -15.7 69 50 B R S S+ 0 0 73 72,-0.2 69,-2.8 1,-0.1 2,-0.4 0.460 109.7 78.2-131.8 -6.0 35.0 27.2 -17.4 70 51 B W E - M 0 137C 3 67,-0.2 -4,-2.2 65,-0.0 -3,-1.1 -0.923 48.4-171.8-117.7 135.4 34.8 30.8 -16.1 71 52 B V E -LM 65 136C 0 65,-2.2 65,-1.9 -2,-0.4 2,-0.4 -0.966 11.1-151.2-122.1 135.3 36.9 33.8 -16.9 72 53 B L E +LM 64 135C 0 -8,-2.9 -8,-2.4 -2,-0.4 2,-0.3 -0.844 29.2 141.7-106.7 140.7 36.8 37.1 -15.0 73 54 B T E - M 0 134C 0 61,-2.2 61,-2.2 -2,-0.4 2,-0.3 -0.890 50.7 -68.7-158.0-174.1 37.6 40.5 -16.6 74 55 B A > - 0 0 0 -12,-0.4 3,-1.2 -2,-0.3 4,-0.5 -0.687 32.1-135.9 -90.8 143.5 36.6 44.2 -16.7 75 56 B A G >> S+ 0 0 0 -2,-0.3 4,-3.4 1,-0.3 3,-1.8 0.889 103.7 62.5 -64.0 -39.6 33.3 45.2 -18.2 76 57 B H G 34 S+ 0 0 27 1,-0.3 -1,-0.3 2,-0.2 9,-0.1 0.628 93.9 65.3 -64.0 -10.0 34.8 48.1 -20.1 77 58 B b G <4 S+ 0 0 1 -3,-1.2 -1,-0.3 1,-0.1 -2,-0.2 0.783 117.9 23.3 -79.1 -27.5 36.9 45.5 -21.9 78 59 B L T <4 S+ 0 0 1 -3,-1.8 9,-1.5 -4,-0.5 2,-0.4 0.719 131.1 34.4-106.8 -33.6 33.8 44.1 -23.5 79 60 B L E < +P 86 0D 32 -4,-3.4 -1,-0.3 7,-0.2 7,-0.2 -0.947 53.4 136.5-136.1 116.9 31.4 47.1 -23.4 80 60AB Y E > > -P 85 0D 54 5,-1.6 3,-2.3 -2,-0.4 5,-1.8 -0.541 23.5-172.2-156.2 80.1 32.1 50.8 -23.7 81 60BB P G > 5S+ 0 0 48 0, 0.0 3,-3.0 0, 0.0 -1,-0.1 0.774 77.8 75.6 -43.1 -41.3 29.5 52.5 -25.9 82 60CB P G 3 5S+ 0 0 66 0, 0.0 44,-0.0 0, 0.0 0, 0.0 0.698 111.1 29.3 -50.7 -19.2 31.5 55.8 -25.9 83 60DB W G < 5S- 0 0 180 -3,-2.3 3,-0.1 2,-0.1 0, 0.0 0.160 120.9-105.3-123.5 12.2 33.9 54.1 -28.4 84 60EB D T < 5 + 0 0 149 -3,-3.0 2,-0.2 1,-0.3 0, 0.0 0.551 64.8 162.6 72.9 9.4 31.2 51.8 -29.8 85 60FB K E < +P 80 0D 46 -5,-1.8 -5,-1.6 1,-0.1 -1,-0.3 -0.428 11.3 136.3 -63.3 124.5 32.8 49.0 -27.9 86 60GB N E -P 79 0D 103 -2,-0.2 -7,-0.2 -7,-0.2 -1,-0.1 -0.139 27.7-178.6-167.6 53.6 30.2 46.1 -27.7 87 60HB F - 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