==== 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 04-OCT-04 1XMN . COMPND 2 MOLECULE: THROMBIN LIGHT CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR W.J.CARTER,E.CAMA,J.A.HUNTINGTON . 1144 16 16 12 4 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 49848.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 696 60.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 304 26.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 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 . 69 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 127 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 113 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 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 0 4 8 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 16 16 0 16 12 8 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 . 4 0 0 0 0 4 0 4 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 0 115 0, 0.0 66,-2.3 0, 0.0 67,-0.2 0.000 360.0 360.0 360.0-163.2 49.2 -11.2 -7.6 2 1DA G + 0 0 17 64,-0.2 146,-0.0 65,-0.1 0, 0.0 0.806 360.0 108.0 105.0 70.0 51.0 -7.9 -7.7 3 1CA E > + 0 0 124 3,-0.1 3,-3.2 63,-0.1 149,-0.0 0.530 60.5 69.6-137.2 -46.5 54.4 -8.1 -6.0 4 1BA A T 3 S+ 0 0 93 1,-0.3 147,-0.0 147,-0.0 0, 0.0 0.765 113.6 38.7 -50.9 -24.8 57.2 -8.0 -8.6 5 1AA D T > S+ 0 0 70 145,-0.1 3,-1.1 2,-0.0 -1,-0.3 0.265 91.6 137.5-109.1 9.2 56.1 -4.4 -9.1 6 1 A a T < + 0 0 10 -3,-3.2 144,-0.2 1,-0.2 -3,-0.1 -0.123 61.5 20.2 -58.2 150.0 55.4 -3.7 -5.4 7 2 A G T 3 S+ 0 0 0 142,-2.3 243,-1.6 242,-0.2 2,-0.7 0.452 90.0 110.9 74.3 0.6 56.5 -0.5 -3.7 8 3 A L < - 0 0 32 -3,-1.1 -1,-0.1 141,-0.3 241,-0.1 -0.917 62.3-141.9-111.4 107.7 56.9 1.6 -6.9 9 4 A R > > - 0 0 0 -2,-0.7 5,-2.4 1,-0.1 3,-1.5 -0.490 6.3-138.7 -73.0 129.8 54.1 4.3 -7.0 10 5 A P T 3 5S+ 0 0 15 0, 0.0 -1,-0.1 0, 0.0 135,-0.1 0.857 103.4 43.4 -53.9 -39.8 52.6 5.0 -10.4 11 6 A L T 3 5S+ 0 0 30 134,-0.5 32,-0.1 31,-0.3 -2,-0.1 0.436 129.2 20.3 -90.0 1.2 52.6 8.7 -9.8 12 7 A F T X >S+ 0 0 15 -3,-1.5 5,-3.2 30,-0.1 3,-1.2 0.471 127.9 24.7-129.1 -84.0 56.0 9.0 -8.3 13 8 A E G > 5S+ 0 0 19 1,-0.3 3,-1.5 3,-0.2 -5,-0.1 0.887 120.5 57.8 -55.8 -40.0 58.8 6.4 -8.7 14 9 A K G 3 > S+ 0 0 38 2,-0.1 3,-1.8 1,-0.1 4,-0.7 0.484 85.6 100.4-129.2 -2.0 59.2 14.7 2.0 22 14CA E H >> S+ 0 0 14 -3,-0.4 4,-1.7 1,-0.3 3,-0.5 0.786 78.8 64.3 -58.3 -26.6 60.7 11.4 0.9 23 14DA R H 3> S+ 0 0 127 -4,-0.4 4,-2.7 1,-0.2 -1,-0.3 0.816 92.8 64.0 -66.4 -27.3 64.2 13.0 0.9 24 14EA E H <> S+ 0 0 42 -3,-1.8 4,-1.0 1,-0.2 -1,-0.2 0.883 102.8 47.9 -61.7 -38.1 63.8 13.4 4.7 25 14FA L H < S+ 0 0 70 -4,-1.7 3,-1.5 1,-0.2 4,-0.3 0.927 107.7 52.5 -57.9 -47.0 66.8 9.2 2.8 27 14HA E H >< S+ 0 0 127 -4,-2.7 3,-0.8 1,-0.3 -1,-0.2 0.777 104.7 57.8 -61.9 -25.4 68.8 11.7 4.8 28 14IA S H 3< S+ 0 0 20 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.2 0.667 95.3 63.5 -78.9 -17.4 67.9 9.8 8.0 29 14JA Y T << S+ 0 0 19 -3,-1.5 2,-0.7 -4,-0.7 -1,-0.2 0.473 89.2 80.3 -84.6 -2.1 69.4 6.6 6.6 30 14KA I < 0 0 115 -3,-0.8 -1,-0.1 -4,-0.3 -4,-0.0 -0.920 360.0 360.0-106.6 110.8 72.8 8.3 6.6 31 14LA D 0 0 189 -2,-0.7 -1,-0.2 135,-0.0 -2,-0.0 0.970 360.0 360.0 -86.8 360.0 74.4 8.3 10.0 32 !* 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 33 16 B I 0 0 0 0, 0.0 3,-0.4 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 123.5 47.8 11.4 12.7 34 17 B V B -A 230 0A 11 196,-2.9 196,-1.5 1,-0.2 143,-0.1 -0.817 360.0 -0.9-101.2 135.4 49.0 14.2 15.0 35 18 B E S S+ 0 0 119 141,-0.5 -1,-0.2 -2,-0.4 193,-0.1 0.807 102.5 121.0 60.0 32.3 51.3 16.9 13.7 36 19 B G - 0 0 27 -3,-0.4 2,-0.3 140,-0.1 158,-0.2 -0.208 53.7-123.6-104.7-159.7 51.4 15.5 10.2 37 20 B S E -B 193 0B 61 156,-2.4 156,-2.5 -2,-0.1 2,-0.1 -0.920 33.5 -72.2-144.8 169.7 50.3 17.0 6.9 38 21 B D E -B 192 0B 104 -2,-0.3 154,-0.2 154,-0.2 2,-0.1 -0.400 52.4-122.6 -64.3 136.8 48.0 16.4 4.0 39 22 B A - 0 0 6 152,-2.6 2,-0.2 59,-0.2 -1,-0.1 -0.432 22.9-115.2 -78.0 155.5 49.2 13.6 1.7 40 23 B E > - 0 0 46 1,-0.1 3,-2.0 -2,-0.1 4,-0.3 -0.561 46.9 -80.4 -86.0 157.4 49.8 14.2 -2.0 41 24 B I T 3 S+ 0 0 81 1,-0.3 -1,-0.1 -2,-0.2 57,-0.1 -0.375 116.5 3.9 -60.1 128.7 47.6 12.5 -4.5 42 25 B G T 3 S+ 0 0 12 2,-0.1 -31,-0.3 -2,-0.1 -1,-0.3 0.568 91.1 127.6 72.8 9.0 48.8 8.9 -5.1 43 26 B M S < S+ 0 0 6 -3,-2.0 -2,-0.1 1,-0.3 -34,-0.1 0.780 83.7 23.7 -67.0 -29.4 51.4 9.3 -2.3 44 27 B S S > S+ 0 0 13 -4,-0.3 3,-2.2 1,-0.1 -1,-0.3 -0.550 70.0 166.6-137.9 68.6 50.3 6.1 -0.5 45 28 B P T 3 S+ 0 0 3 0, 0.0 103,-1.4 0, 0.0 51,-0.2 0.599 75.8 61.3 -60.9 -13.3 48.5 4.0 -3.2 46 29 B W T 3 S+ 0 0 3 101,-0.2 18,-2.3 103,-0.1 104,-0.1 0.401 77.1 123.3 -93.7 0.5 48.5 1.0 -0.9 47 30 B Q E < -J 63 0C 5 -3,-2.2 49,-1.0 16,-0.2 2,-0.4 -0.407 40.6-172.9 -65.3 132.7 46.4 2.8 1.7 48 31 B V E -JK 62 95C 0 14,-2.5 14,-1.0 47,-0.2 2,-0.4 -0.982 16.1-143.8-131.4 143.2 43.1 1.0 2.7 49 32 B M E -JK 61 94C 0 45,-2.6 45,-2.0 -2,-0.4 2,-0.6 -0.897 9.4-150.3-105.8 132.7 40.2 2.2 4.8 50 33 B L E -JK 60 93C 0 10,-2.4 9,-2.4 -2,-0.4 10,-1.3 -0.917 21.8-171.0-104.3 117.9 38.4 -0.4 7.0 51 34 B F E -JK 58 92C 26 41,-3.0 41,-1.8 -2,-0.6 2,-0.5 -0.845 22.7-135.3-113.8 148.4 34.7 0.5 7.5 52 35 B R E > -JK 57 91C 85 5,-3.0 5,-1.5 -2,-0.3 39,-0.2 -0.853 15.7-147.5 -96.8 129.8 31.9 -0.8 9.7 53 36 B K T 5S+ 0 0 97 37,-2.6 3,-0.3 -2,-0.5 -1,-0.2 0.954 74.2 51.7 -62.2 -54.1 28.7 -1.2 7.7 54 36AB S T 5S+ 0 0 99 1,-0.4 -1,-0.2 36,-0.4 2,-0.1 -0.961 117.3 19.8-148.1 124.3 26.2 -0.5 10.5 55 37 B P T 5S- 0 0 78 0, 0.0 -1,-0.4 0, 0.0 -3,-0.1 0.529 109.1-117.3 -73.2 145.0 26.3 1.8 12.2 56 38 B Q T 5 + 0 0 166 -3,-0.3 2,-0.3 -2,-0.1 -3,-0.2 -0.226 54.0 148.0 -49.3 128.6 28.4 3.4 9.4 57 39 B E E < -J 52 0C 94 -5,-1.5 -5,-3.0 -3,-0.0 2,-0.7 -0.902 51.7-121.0-169.1 136.0 31.9 4.2 10.8 58 40 B L E +J 51 0C 42 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.719 36.3 175.9 -79.8 116.9 35.5 4.4 9.7 59 41 B L E - 0 0 25 -9,-2.4 2,-0.3 -2,-0.7 177,-0.2 0.925 46.8 -30.3 -89.3 -52.2 37.2 1.9 12.0 60 42 B b E -J 50 0C 6 -10,-1.3 -10,-2.4 175,-0.1 -1,-0.2 -0.880 55.0 -97.8-155.0-177.4 40.9 1.7 11.1 61 43 B G E +J 49 0C 3 175,-3.9 12,-0.4 -2,-0.3 2,-0.3 -0.466 36.7 171.2-103.0-179.6 43.5 1.9 8.4 62 44 B A E -J 48 0C 0 -14,-1.0 -14,-2.5 -2,-0.2 2,-0.3 -0.942 22.6-118.6-176.3 172.1 45.1 -1.1 6.5 63 45 B S E -JL 47 71C 0 8,-2.5 8,-2.8 -2,-0.3 2,-0.6 -0.971 14.1-124.6-135.3 150.0 47.3 -1.7 3.6 64 46 B L E + L 0 70C 0 -18,-2.3 86,-2.1 -2,-0.3 6,-0.2 -0.798 29.0 167.8 -91.8 119.9 47.2 -3.5 0.2 65 47 B I S S- 0 0 15 4,-2.2 2,-0.3 -2,-0.6 5,-0.2 0.477 70.2 -8.8-110.3 -5.8 49.8 -6.2 -0.2 66 48 B S S S- 0 0 17 3,-1.0 -1,-0.2 85,-0.1 -64,-0.2 -0.928 86.3 -82.4-169.9-179.5 48.4 -7.9 -3.4 67 49 B D S S+ 0 0 33 -66,-2.3 74,-2.6 -2,-0.3 -65,-0.1 0.624 129.0 29.1 -75.8 -8.1 45.3 -7.7 -5.5 68 50 B R S S+ 0 0 50 72,-0.2 69,-2.8 -67,-0.2 2,-0.4 0.478 108.6 75.2-125.8 -9.3 43.5 -10.0 -3.0 69 51 B W E - M 0 136C 9 67,-0.2 -4,-2.2 65,-0.0 -3,-1.0 -0.919 48.0-173.6-120.4 138.4 45.1 -9.4 0.4 70 52 B V E -LM 64 135C 0 65,-2.3 65,-2.4 -2,-0.4 2,-0.4 -0.973 12.6-150.3-124.9 134.0 44.9 -6.6 2.9 71 53 B L E +LM 63 134C 0 -8,-2.8 -8,-2.5 -2,-0.4 2,-0.2 -0.845 28.8 145.6-106.0 140.0 47.0 -6.3 6.0 72 54 B T E - M 0 133C 0 61,-2.3 61,-2.1 -2,-0.4 2,-0.3 -0.853 50.6 -73.1-153.4-173.3 45.7 -4.6 9.2 73 55 B A > - 0 0 0 -12,-0.4 3,-1.1 -2,-0.2 4,-0.4 -0.734 35.1-133.0 -91.7 143.1 46.0 -4.8 13.0 74 56 B A G >> S+ 0 0 0 -2,-0.3 4,-2.8 1,-0.3 3,-1.7 0.822 102.5 62.8 -61.9 -35.0 44.1 -7.6 14.8 75 57 B H G 34 S+ 0 0 0 1,-0.3 -1,-0.3 2,-0.2 161,-0.0 0.570 90.6 66.9 -70.9 -21.7 42.6 -5.3 17.4 76 58 B b G <4 S+ 0 0 0 -3,-1.1 -1,-0.3 2,-0.1 -2,-0.2 0.689 117.1 27.0 -59.3 -24.9 40.7 -3.5 14.6 77 59 B L T <4 S+ 0 0 1 -3,-1.7 9,-2.4 -4,-0.4 2,-0.4 0.688 132.4 28.0-110.2 -30.8 38.8 -6.8 14.1 78 60 B L E < +P 85 0D 33 -4,-2.8 -1,-0.3 7,-0.2 7,-0.2 -0.924 59.3 134.5-142.1 113.8 38.9 -8.4 17.5 79 60AB Y E > > -P 84 0D 16 5,-2.7 3,-2.9 -2,-0.4 5,-1.4 -0.490 23.4-173.1-157.2 79.9 39.2 -6.7 20.9 80 60BB P G > 5S+ 0 0 49 0, 0.0 3,-2.9 0, 0.0 -1,-0.1 0.801 82.6 68.7 -43.8 -40.4 36.9 -8.1 23.6 81 60CB P G 3 5S+ 0 0 69 0, 0.0 44,-0.0 0, 0.0 43,-0.0 0.700 109.1 37.6 -57.7 -16.7 37.8 -5.4 26.1 82 60DB W G < 5S- 0 0 128 -3,-2.9 3,-0.1 2,-0.2 -3,-0.0 0.174 120.9-109.8-114.7 11.8 36.0 -3.0 23.7 83 60EB D T < 5S+ 0 0 155 -3,-2.9 2,-0.5 1,-0.2 -5,-0.0 0.910 70.5 149.9 59.3 43.0 33.3 -5.5 23.0 84 60FB K E < +P 79 0D 28 -5,-1.4 -5,-2.7 2,-0.0 -1,-0.2 -0.937 9.5 139.1-113.7 125.7 34.7 -5.8 19.5 85 60GB N E -P 78 0D 120 -2,-0.5 -7,-0.2 -7,-0.2 2,-0.1 -0.472 29.8-170.1-163.4 77.9 34.5 -9.0 17.5 86 60HB F - 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