==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SERINE PROTEASE 10-JUN-98 1BHX . COMPND 2 MOLECULE: ALPHA THROMBIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.KALLEN . 287 4 4 3 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12789.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 176 61.3 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 . 76 26.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 1.4 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 . 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 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 28 9.8 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 . 4 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 1EA S 0 0 57 0, 0.0 2,-0.2 0, 0.0 152,-0.1 0.000 360.0 360.0 360.0-170.0 16.4 14.9 26.4 2 1DA G - 0 0 42 148,-0.3 148,-0.2 150,-0.1 63,-0.1 -0.527 360.0 -27.7 104.1-177.8 16.0 14.1 22.8 3 1CA E > - 0 0 70 146,-0.4 3,-1.7 61,-0.4 62,-0.0 -0.220 67.2 -96.5 -69.6 161.6 15.3 16.6 19.9 4 1BA A T 3 S+ 0 0 93 1,-0.3 -1,-0.1 146,-0.0 146,-0.0 0.777 125.7 22.5 -45.8 -37.9 13.5 20.0 20.1 5 1AA D T > S+ 0 0 70 144,-0.1 3,-1.3 2,-0.0 -1,-0.3 0.332 94.4 145.5-115.7 8.1 10.1 18.5 19.0 6 1 A a T < + 0 0 3 -3,-1.7 143,-0.2 1,-0.2 144,-0.1 -0.025 63.0 13.2 -50.7 144.9 10.9 14.9 20.0 7 2 A G T 3 S+ 0 0 0 141,-2.6 237,-1.1 236,-0.2 2,-0.7 0.459 89.5 113.2 67.8 7.7 8.1 12.7 21.3 8 3 A L < - 0 0 30 -3,-1.3 -1,-0.1 140,-0.2 235,-0.1 -0.932 63.6-139.8-110.8 103.2 5.1 14.9 20.3 9 4 A R > > - 0 0 0 -2,-0.7 5,-2.0 1,-0.1 3,-1.6 -0.418 5.0-136.8 -67.2 127.7 3.3 12.9 17.7 10 5 A P T 3 5S+ 0 0 11 0, 0.0 -1,-0.1 0, 0.0 134,-0.1 0.929 104.2 42.6 -49.3 -48.0 1.9 14.9 14.7 11 6 A L T 3 5S+ 0 0 39 133,-0.6 31,-0.1 30,-0.3 -2,-0.1 0.399 129.6 17.6 -82.6 3.0 -1.4 13.0 14.7 12 7 A F T X>>S+ 0 0 16 -3,-1.6 5,-2.9 29,-0.1 3,-1.2 0.449 124.4 32.2-134.6 -78.2 -2.0 12.9 18.5 13 8 A E G >45S+ 0 0 21 1,-0.3 3,-1.0 3,-0.2 -2,-0.1 0.901 119.1 54.4 -57.4 -41.9 -0.2 15.3 21.0 14 9 A K G 34 - 0 0 7 -2,-0.3 3,-0.5 23,-0.1 4,-0.4 -0.388 36.9 -94.8 -81.1 168.2 -4.6 7.1 21.3 20 14AA K T 3 S+ 0 0 175 1,-0.2 -1,-0.1 2,-0.1 4,-0.1 0.626 114.3 21.9 -57.7 -22.2 -6.8 4.2 22.5 21 14BA T T >> S+ 0 0 49 2,-0.1 3,-1.2 1,-0.1 4,-0.9 0.435 85.2 101.6-131.6 4.8 -4.6 2.9 25.4 22 14CA E H X> S+ 0 0 5 -3,-0.5 4,-2.2 1,-0.2 3,-0.6 0.833 77.9 67.0 -60.9 -26.0 -2.2 5.7 26.5 23 14DA R H 3> S+ 0 0 167 -4,-0.4 4,-2.7 1,-0.2 -1,-0.2 0.865 95.0 57.2 -59.4 -36.6 -4.6 6.2 29.5 24 14EA E H <> S+ 0 0 62 -3,-1.2 4,-0.6 2,-0.2 -1,-0.2 0.856 108.0 47.8 -61.0 -39.5 -3.5 2.7 30.8 25 14FA L H XX S+ 0 0 0 -4,-0.9 3,-1.4 -3,-0.6 4,-0.6 0.980 113.6 45.5 -66.3 -54.9 0.2 4.0 30.7 26 14GA L H >< S+ 0 0 49 -4,-2.2 3,-0.9 1,-0.3 -2,-0.2 0.848 109.1 56.2 -60.7 -33.5 -0.6 7.2 32.5 27 14HA E H 3< S+ 0 0 105 -4,-2.7 -1,-0.3 1,-0.2 3,-0.2 0.674 100.3 59.8 -73.4 -16.4 -2.8 5.4 35.1 28 14IA S H << S+ 0 0 22 -3,-1.4 2,-1.4 -4,-0.6 -1,-0.2 0.654 80.0 85.5 -83.6 -15.5 0.1 3.1 36.1 29 14JA Y << 0 0 15 -3,-0.9 -1,-0.2 -4,-0.6 -2,-0.1 -0.258 360.0 360.0 -83.3 50.4 2.3 6.0 37.1 30 14KA I 0 0 190 -2,-1.4 -1,-0.1 -3,-0.2 -2,-0.1 0.451 360.0 360.0 49.1 360.0 0.7 5.9 40.6 31 !* 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 32 16 B I 0 0 0 0, 0.0 2,-0.5 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 128.7 4.2 -9.0 19.6 33 17 B V B +A 224 0A 12 191,-3.0 191,-1.5 1,-0.2 143,-0.1 -0.872 360.0 5.1-101.8 127.2 2.3 -11.8 21.3 34 18 B E S S+ 0 0 109 -2,-0.5 -1,-0.2 141,-0.4 188,-0.1 0.754 100.6 127.5 70.3 29.2 -1.1 -10.6 22.7 35 19 B G - 0 0 21 -3,-0.4 2,-0.3 153,-0.1 153,-0.2 -0.306 51.4-127.8-101.0-170.7 -0.9 -7.1 21.3 36 20 B S E -B 187 0B 82 151,-2.2 151,-2.6 -2,-0.1 2,-0.1 -0.891 37.5 -78.4-134.7 164.3 -3.4 -5.2 19.1 37 21 B D E -B 186 0B 109 -2,-0.3 149,-0.3 149,-0.2 148,-0.1 -0.424 50.2-118.2 -65.4 134.4 -3.0 -3.4 15.8 38 22 B A - 0 0 6 147,-3.5 2,-0.1 59,-0.1 -1,-0.1 -0.357 24.8-117.3 -70.5 154.8 -1.4 0.0 16.1 39 23 B E > - 0 0 50 1,-0.1 3,-1.3 -2,-0.1 4,-0.3 -0.456 46.4 -82.8 -83.1 165.5 -3.4 3.1 15.1 40 24 B I T 3 S+ 0 0 85 1,-0.3 -1,-0.1 2,-0.1 57,-0.1 -0.445 115.9 6.7 -69.9 143.8 -2.0 5.1 12.2 41 25 B G T 3 S+ 0 0 11 1,-0.1 -1,-0.3 2,-0.1 -30,-0.3 0.492 90.8 124.6 61.4 6.6 0.7 7.5 13.4 42 26 B M S < S+ 0 0 8 -3,-1.3 -2,-0.1 1,-0.3 -1,-0.1 0.774 85.2 23.3 -68.1 -21.5 0.6 6.1 16.9 43 27 B S > + 0 0 13 -4,-0.3 3,-2.1 102,-0.1 -1,-0.3 -0.521 69.8 170.6-144.5 67.6 4.4 5.4 16.8 44 28 B P T 3 S+ 0 0 2 0, 0.0 103,-1.7 0, 0.0 51,-0.1 0.508 75.9 58.5 -60.2 -6.6 6.0 7.7 14.3 45 29 B W T 3 S+ 0 0 2 101,-0.2 18,-1.5 103,-0.1 2,-0.2 0.498 73.4 119.0 -99.2 -10.0 9.5 6.8 15.3 46 30 B Q E < -J 62 0C 4 -3,-2.1 49,-0.8 16,-0.2 50,-0.4 -0.453 44.0-172.1 -62.2 125.4 9.2 3.0 14.6 47 31 B V E -JK 61 94C 0 14,-2.2 14,-1.1 -2,-0.2 2,-0.4 -0.827 14.7-139.4-115.0 156.8 11.7 2.1 11.9 48 32 B M E -JK 60 93C 0 45,-1.8 45,-2.5 -2,-0.3 2,-0.6 -0.977 8.3-142.3-119.7 129.8 12.0 -1.3 10.1 49 33 B L E -JK 59 92C 0 10,-3.0 9,-2.9 -2,-0.4 10,-0.9 -0.844 26.6-171.1 -91.6 122.2 15.4 -3.0 9.4 50 34 B F E -JK 57 91C 0 41,-3.1 41,-2.3 -2,-0.6 2,-0.3 -0.942 18.9-133.1-122.9 132.0 15.1 -4.6 6.0 51 35 B R E > -JK 56 90C 74 5,-2.8 5,-0.7 -2,-0.5 39,-0.2 -0.624 12.1-139.5 -80.6 138.4 17.6 -6.9 4.4 52 36 B K T 5S+ 0 0 66 37,-2.2 3,-0.2 -2,-0.3 -1,-0.1 0.896 83.9 34.9 -65.7 -43.6 18.4 -6.1 0.7 53 36AB S T 5S+ 0 0 101 1,-0.5 -1,-0.2 36,-0.3 2,-0.2 -0.799 120.5 30.0-167.2 119.7 18.4 -9.8 -0.4 54 37 B P T 5S- 0 0 71 0, 0.0 2,-0.7 0, 0.0 -1,-0.5 0.523 101.8-131.8 -61.5 141.2 16.7 -12.0 0.6 55 38 B Q T 5 + 0 0 79 -3,-0.2 232,-0.3 -2,-0.2 2,-0.3 -0.672 54.1 138.5 -70.7 112.9 14.3 -9.1 1.1 56 39 B E E < -J 51 0C 74 -2,-0.7 -5,-2.8 -5,-0.7 2,-0.5 -0.983 59.3 -96.7-157.7 156.4 13.2 -9.8 4.7 57 40 B L E +J 50 0C 29 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.717 36.7 173.4 -80.3 123.4 12.4 -8.1 8.0 58 41 B L E - 0 0 28 -9,-2.9 2,-0.3 -2,-0.5 170,-0.2 0.866 54.6 -38.8 -93.7 -50.3 15.4 -8.2 10.3 59 42 B b E -J 49 0C 2 -10,-0.9 -10,-3.0 170,-0.1 -1,-0.3 -0.915 52.1 -99.7-162.7-176.4 14.4 -6.1 13.2 60 43 B G E +J 48 0C 3 170,-2.8 12,-0.4 -2,-0.3 2,-0.3 -0.492 37.5 170.9-107.2 176.0 12.7 -3.0 14.5 61 44 B A E -J 47 0C 0 -14,-1.1 -14,-2.2 -2,-0.2 2,-0.3 -0.919 23.6-119.4-171.5-179.2 14.6 0.2 15.4 62 45 B S E -JL 46 70C 0 8,-2.3 8,-2.6 -2,-0.3 2,-0.6 -0.984 14.9-122.4-142.4 152.6 13.7 3.8 16.3 63 46 B L E + L 0 69C 0 -18,-1.5 86,-2.3 -2,-0.3 6,-0.2 -0.843 28.1 170.2 -95.9 121.5 14.3 7.2 14.9 64 47 B I - 0 0 11 4,-2.2 -61,-0.4 -2,-0.6 2,-0.3 0.557 69.5 -8.1-106.3 -14.5 16.0 9.6 17.4 65 48 B S S S- 0 0 19 3,-1.1 3,-0.3 -63,-0.1 -1,-0.2 -0.898 89.7 -77.3-161.7-176.3 16.9 12.5 15.0 66 49 B D S S+ 0 0 42 -2,-0.3 74,-2.5 1,-0.2 72,-0.1 0.665 130.0 26.8 -69.4 -15.4 16.8 13.1 11.2 67 50 B R S S+ 0 0 26 72,-0.2 69,-2.8 1,-0.1 2,-0.4 0.399 107.3 77.5-126.7 0.2 19.9 11.1 10.7 68 51 B W E - M 0 135C 0 -3,-0.3 -4,-2.2 67,-0.2 -3,-1.1 -0.959 45.1-173.7-126.3 140.6 20.1 8.5 13.5 69 52 B V E -LM 63 134C 0 65,-1.9 65,-2.2 -2,-0.4 2,-0.4 -0.975 13.9-150.1-125.6 134.8 18.4 5.2 14.2 70 53 B L E +LM 62 133C 0 -8,-2.6 -8,-2.3 -2,-0.4 2,-0.2 -0.887 29.4 151.1-105.2 138.8 18.8 3.3 17.4 71 54 B T E - M 0 132C 0 61,-2.3 61,-1.7 -2,-0.4 2,-0.3 -0.821 49.1 -78.4-152.1-177.7 18.6 -0.5 17.4 72 55 B A > - 0 0 0 -12,-0.4 3,-1.6 -2,-0.2 4,-0.4 -0.769 32.6-132.2 -90.8 141.7 19.9 -3.6 19.3 73 56 B A G >> S+ 0 0 0 -2,-0.3 4,-2.7 1,-0.3 3,-1.2 0.792 104.2 66.7 -64.3 -25.9 23.5 -4.7 18.4 74 57 B H G 34 S+ 0 0 18 1,-0.3 -1,-0.3 2,-0.2 9,-0.1 0.575 88.0 67.8 -69.2 -15.1 22.3 -8.4 18.1 75 58 B b G <4 S+ 0 0 1 -3,-1.6 -1,-0.3 1,-0.1 -2,-0.2 0.749 117.0 23.7 -72.0 -27.8 20.3 -7.3 15.0 76 59 B L T <4 S+ 0 0 2 -3,-1.2 9,-2.8 -4,-0.4 2,-0.4 0.738 130.2 33.2-106.9 -39.5 23.6 -6.7 13.2 77 60 B L E < +P 84 0D 40 -4,-2.7 -1,-0.2 7,-0.2 7,-0.2 -0.961 54.5 138.3-132.4 116.3 26.1 -8.9 15.0 78 60AB Y E > > -P 83 0D 52 5,-2.9 3,-1.8 -2,-0.4 5,-1.8 -0.503 23.7-172.8-155.4 79.4 25.5 -12.2 16.6 79 60BB P G > 5S+ 0 0 44 0, 0.0 3,-2.4 0, 0.0 -1,-0.1 0.756 78.1 68.1 -45.0 -41.6 28.4 -14.7 15.8 80 60CB P G 3 5S+ 0 0 73 0, 0.0 44,-0.0 0, 0.0 43,-0.0 0.841 112.0 35.3 -54.1 -30.7 26.7 -17.9 17.3 81 60DB W G < 5S- 0 0 183 -3,-1.8 3,-0.1 2,-0.1 -3,-0.0 0.070 117.7-112.1-105.9 17.2 24.2 -17.7 14.4 82 60EB D T < 5 + 0 0 154 -3,-2.4 2,-0.5 1,-0.2 -5,-0.0 0.699 65.9 152.1 57.0 25.7 26.7 -16.4 11.9 83 60FB K E < +P 78 0D 47 -5,-1.8 -5,-2.9 -9,-0.1 -1,-0.2 -0.753 2.5 142.7 -90.4 128.3 25.0 -13.0 11.8 84 60GB N E -P 77 0D 112 -2,-0.5 2,-0.3 -7,-0.2 -7,-0.2 -0.536 24.6-173.4-168.5 84.1 27.2 -10.0 10.9 85 60HB F - 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