==== 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 22-SEP-09 3JZ1 . COMPND 2 MOLECULE: THROMBIN LIGHT CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR W.NIU,Z.CHEN,L.A.BUSH-PELC,A.BAH,P.S.GANDHI,E.DI CERA . 278 4 4 3 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12867.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 164 59.0 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 . 75 27.0 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 0.4 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 . 16 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 27 9.7 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 0 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 . 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 1 3 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 1CA E > 0 0 98 0, 0.0 3,-1.5 0, 0.0 64,-0.0 0.000 360.0 360.0 360.0-172.8 -16.3 -34.2 25.4 2 1BA A T 3 + 0 0 92 1,-0.3 145,-0.0 3,-0.0 0, 0.0 0.698 360.0 35.9 -67.4 -20.0 -13.1 -35.2 27.1 3 1AA D T > S+ 0 0 64 143,-0.1 3,-1.2 2,-0.0 -1,-0.3 0.223 88.3 144.5-110.9 15.3 -10.6 -35.4 24.3 4 1 A a T < + 0 0 15 -3,-1.5 142,-0.2 1,-0.2 143,-0.1 -0.057 59.8 14.2 -54.8 148.8 -12.1 -32.6 22.4 5 2 A G T 3 S+ 0 0 0 140,-2.7 236,-1.6 235,-0.2 2,-0.7 0.463 90.6 113.2 68.2 3.3 -10.0 -30.1 20.4 6 3 A L < - 0 0 27 -3,-1.2 -1,-0.1 139,-0.3 234,-0.1 -0.939 61.7-139.5-110.3 112.5 -6.8 -32.2 20.3 7 4 A R > > - 0 0 0 -2,-0.7 5,-2.5 1,-0.1 3,-1.3 -0.519 5.2-140.1 -76.1 130.9 -6.0 -33.3 16.8 8 5 A P T 3 5S+ 0 0 20 0, 0.0 -1,-0.1 0, 0.0 133,-0.1 0.880 103.5 42.0 -55.1 -40.6 -4.7 -36.8 16.2 9 6 A L T 3 5S+ 0 0 33 132,-0.5 33,-0.1 32,-0.3 132,-0.0 0.424 129.4 21.3 -90.6 3.2 -2.2 -35.7 13.5 10 7 A F T X >S+ 0 0 12 -3,-1.3 5,-2.5 31,-0.1 3,-1.6 0.429 127.3 25.2-129.9 -87.5 -1.1 -32.5 15.3 11 8 A E G > 5S+ 0 0 23 1,-0.3 3,-1.5 3,-0.2 -5,-0.1 0.899 122.3 54.9 -52.1 -43.1 -1.4 -31.9 19.0 12 9 A K G 3 > S+ 0 0 44 2,-0.1 3,-1.4 1,-0.1 4,-0.9 0.440 86.1 102.4-127.8 3.9 -0.2 -21.2 10.7 20 14CA E H 3> S+ 0 0 3 -3,-0.4 4,-2.0 1,-0.3 3,-0.4 0.806 78.8 64.6 -59.8 -27.4 -1.4 -21.9 14.2 21 14DA R H 3> S+ 0 0 133 -4,-0.4 4,-2.7 1,-0.2 -1,-0.3 0.851 94.2 61.1 -62.8 -32.2 1.5 -19.9 15.6 22 14EA E H <> S+ 0 0 49 -3,-1.4 4,-1.4 2,-0.2 -1,-0.2 0.887 106.1 46.9 -60.6 -39.2 -0.0 -16.8 13.9 23 14FA L H X S+ 0 0 0 -4,-0.9 4,-1.0 -3,-0.4 140,-0.5 0.974 113.5 45.6 -67.4 -54.9 -3.1 -17.3 16.0 24 14GA L H >X S+ 0 0 41 -4,-2.0 4,-1.5 1,-0.2 3,-0.5 0.863 110.0 55.0 -58.3 -37.9 -1.3 -17.8 19.3 25 14HA E H 3X S+ 0 0 85 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.889 101.6 58.3 -64.3 -36.1 1.0 -14.8 18.7 26 14IA S H 3< S+ 0 0 20 -4,-1.4 -1,-0.2 -3,-0.3 -2,-0.2 0.814 106.0 50.7 -64.2 -26.4 -2.0 -12.6 18.2 27 14JA Y H << S+ 0 0 16 -4,-1.0 -1,-0.2 -3,-0.5 -2,-0.2 0.830 118.3 35.0 -80.1 -34.4 -3.1 -13.4 21.7 28 14KA I H < S+ 0 0 130 -4,-1.5 2,-0.2 -3,-0.1 -2,-0.2 0.558 90.0 111.4 -96.9 -8.4 0.1 -12.7 23.4 29 14LA D < 0 0 106 -4,-2.0 -4,-0.0 -5,-0.2 0, 0.0 -0.507 360.0 360.0 -78.0 138.9 1.3 -9.8 21.4 30 14MA G 0 0 127 -2,-0.2 -1,-0.1 0, 0.0 -2,-0.0 0.131 360.0 360.0 -76.1 360.0 1.3 -6.5 23.1 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 1 0, 0.0 2,-0.4 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 123.9 -13.1 -19.2 1.4 33 17 B V B +A 221 0A 9 188,-2.7 188,-1.4 1,-0.2 140,-0.1 -0.834 360.0 0.5-103.3 137.0 -11.5 -16.3 -0.4 34 18 B E S S+ 0 0 126 138,-0.4 -1,-0.2 -2,-0.4 185,-0.2 0.822 101.8 118.6 59.3 34.8 -7.8 -15.6 -0.2 35 19 B G - 0 0 29 -3,-0.4 2,-0.3 150,-0.1 150,-0.2 -0.225 54.8-121.7-109.2-158.0 -7.1 -18.6 2.0 36 20 B S E -B 184 0B 65 148,-2.3 148,-2.5 -2,-0.1 2,-0.1 -0.928 34.3 -70.0-145.8 169.6 -4.9 -21.7 1.4 37 21 B D E -B 183 0B 100 -2,-0.3 146,-0.2 146,-0.2 2,-0.2 -0.394 51.2-124.4 -63.7 131.7 -5.0 -25.5 1.2 38 22 B A - 0 0 6 144,-2.8 144,-0.1 59,-0.2 2,-0.1 -0.495 23.6-115.3 -77.2 146.2 -5.6 -27.1 4.5 39 23 B E > - 0 0 45 -2,-0.2 3,-1.9 1,-0.1 4,-0.3 -0.430 47.1 -80.8 -75.6 157.5 -3.0 -29.7 5.7 40 24 B I T 3 S+ 0 0 94 1,-0.3 -1,-0.1 2,-0.1 102,-0.0 -0.379 116.2 5.2 -61.4 130.8 -4.3 -33.3 6.1 41 25 B G T 3 S+ 0 0 9 2,-0.1 -32,-0.3 101,-0.1 -1,-0.3 0.584 90.4 125.0 71.6 11.6 -6.1 -33.7 9.4 42 26 B M S < S+ 0 0 8 -3,-1.9 -2,-0.1 1,-0.3 -35,-0.1 0.786 83.4 26.7 -71.6 -28.3 -5.8 -30.0 10.3 43 27 B S > + 0 0 16 -4,-0.3 3,-1.9 1,-0.1 -1,-0.3 -0.520 67.6 162.7-136.0 67.5 -9.6 -29.7 10.8 44 28 B P T 3 S+ 0 0 3 0, 0.0 100,-1.8 0, 0.0 96,-0.1 0.534 74.6 61.9 -66.2 -6.5 -10.9 -33.1 11.8 45 29 B W T 3 S+ 0 0 3 98,-0.2 18,-2.1 100,-0.1 2,-0.2 0.396 75.7 124.6 -97.4 0.5 -14.1 -31.6 13.1 46 30 B Q E < -J 62 0C 11 -3,-1.9 49,-1.0 16,-0.2 2,-0.4 -0.416 38.8-175.3 -65.0 131.3 -15.1 -30.3 9.7 47 31 B V E -JK 61 94C 0 14,-2.2 14,-1.4 -2,-0.2 2,-0.5 -0.968 15.4-148.1-129.9 143.2 -18.5 -31.4 8.5 48 32 B M E -JK 60 93C 4 45,-2.5 45,-2.3 -2,-0.4 2,-0.6 -0.952 10.6-146.4-112.2 130.2 -20.2 -30.9 5.1 49 33 B L E -JK 59 92C 0 10,-2.9 9,-3.0 -2,-0.5 10,-1.5 -0.867 23.4-177.0 -99.1 122.6 -24.0 -30.6 4.9 50 34 B F E -JK 57 91C 9 41,-3.1 41,-2.1 -2,-0.6 2,-0.4 -0.881 34.9-118.0-120.6 149.9 -25.5 -32.0 1.8 51 35 B R E > -JK 56 90C 84 5,-2.5 5,-1.0 -2,-0.3 39,-0.3 -0.696 37.3-133.0 -75.7 136.2 -29.0 -32.2 0.3 52 36 B K T 5S+ 0 0 79 37,-2.9 -1,-0.2 -2,-0.4 38,-0.1 0.947 78.1 39.5 -61.1 -53.2 -29.4 -36.0 0.1 53 36AB S T 5S+ 0 0 98 36,-0.3 -1,-0.2 1,-0.3 2,-0.2 -0.925 116.9 24.9-156.8 126.9 -30.7 -36.4 -3.4 54 37 B P T 5S- 0 0 101 0, 0.0 -1,-0.3 0, 0.0 2,-0.2 0.619 107.4-109.7 -65.6 161.1 -29.9 -35.0 -5.9 55 38 B Q T 5 + 0 0 130 -2,-0.2 2,-0.3 -3,-0.1 -3,-0.2 -0.419 50.4 160.5 -66.2 128.6 -26.5 -34.3 -4.3 56 39 B E E < -J 51 0C 89 -5,-1.0 -5,-2.5 -2,-0.2 2,-0.5 -0.916 38.1-131.0-152.0 122.5 -25.9 -30.6 -3.5 57 40 B L E +J 50 0C 42 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.632 33.7 169.1 -74.0 124.3 -23.3 -29.1 -1.1 58 41 B L E - 0 0 21 -9,-3.0 2,-0.3 -2,-0.5 -8,-0.2 0.811 48.1 -28.2-105.9 -41.5 -25.3 -26.7 1.1 59 42 B b E -J 49 0C 7 -10,-1.5 -10,-2.9 167,-0.1 -1,-0.3 -0.973 54.9 -96.4-165.6 175.3 -23.2 -25.6 4.0 60 43 B G E +J 48 0C 7 167,-3.4 12,-0.4 -2,-0.3 2,-0.3 -0.498 39.5 167.5 -97.3 172.7 -20.3 -26.2 6.4 61 44 B A E -J 47 0C 0 -14,-1.4 -14,-2.2 -2,-0.2 2,-0.3 -0.938 22.8-121.7-169.5 178.8 -20.8 -27.6 9.9 62 45 B S E -JL 46 70C 0 8,-2.3 8,-2.8 -2,-0.3 2,-0.6 -0.992 13.7-122.7-143.9 151.7 -18.8 -29.0 12.8 63 46 B L E + L 0 69C 0 -18,-2.1 83,-2.4 -2,-0.3 6,-0.2 -0.793 29.0 168.2 -91.5 122.2 -18.5 -32.1 14.9 64 47 B I - 0 0 10 4,-2.4 2,-0.3 -2,-0.6 5,-0.2 0.453 68.6 -6.9-114.1 -1.6 -18.9 -31.5 18.6 65 48 B S S S- 0 0 15 3,-1.0 -1,-0.2 82,-0.1 3,-0.2 -0.941 89.3 -77.1-170.3-179.3 -19.3 -35.0 19.8 66 49 B D S S+ 0 0 45 -2,-0.3 71,-2.9 1,-0.2 69,-0.1 0.700 129.7 21.7 -68.6 -14.2 -19.7 -38.5 18.4 67 50 B R S S+ 0 0 66 69,-0.2 66,-2.7 1,-0.1 2,-0.4 0.405 108.2 79.7-133.9 6.1 -23.4 -37.8 17.7 68 51 B W E - M 0 132C 4 64,-0.2 -4,-2.4 -3,-0.2 -3,-1.0 -0.962 47.4-171.4-123.6 135.4 -23.9 -34.0 17.4 69 52 B V E -LM 63 131C 0 62,-2.4 62,-2.6 -2,-0.4 2,-0.4 -0.969 12.7-148.5-122.6 135.1 -23.1 -31.6 14.6 70 53 B L E +LM 62 130C 0 -8,-2.8 -8,-2.3 -2,-0.4 2,-0.2 -0.841 29.6 145.2-105.2 139.1 -23.3 -27.8 14.9 71 54 B T E - M 0 129C 0 58,-2.3 58,-2.0 -2,-0.4 2,-0.4 -0.858 50.6 -71.5-153.7-174.0 -24.2 -25.5 12.1 72 55 B A > - 0 0 0 -12,-0.4 3,-1.5 -2,-0.2 4,-0.4 -0.727 33.9-134.4 -90.7 139.3 -26.1 -22.3 11.2 73 56 B A G >> S+ 0 0 0 -2,-0.4 4,-3.1 1,-0.3 3,-1.8 0.852 103.7 64.2 -60.8 -33.2 -29.9 -22.3 11.4 74 57 B H G 34 S+ 0 0 29 1,-0.3 -1,-0.3 2,-0.2 153,-0.0 0.650 90.4 66.6 -68.3 -11.1 -30.1 -20.5 8.1 75 58 B b G <4 S+ 0 0 1 -3,-1.5 -1,-0.3 1,-0.1 -2,-0.2 0.718 118.0 23.8 -77.3 -19.4 -28.6 -23.6 6.4 76 59 B L T <4 S+ 0 0 1 -3,-1.8 9,-2.5 -4,-0.4 2,-0.5 0.757 130.5 31.5-111.5 -42.8 -31.7 -25.5 7.4 77 60 B L E < +P 84 0D 33 -4,-3.1 -1,-0.3 7,-0.2 7,-0.2 -0.959 60.9 137.1-128.3 113.9 -34.5 -23.0 7.8 78 60AB Y E > > -P 83 0D 63 5,-2.8 3,-1.9 -2,-0.5 5,-1.9 -0.537 22.3-175.5-157.1 82.7 -34.6 -19.8 5.8 79 60BB P G > 5S+ 0 0 51 0, 0.0 3,-3.2 0, 0.0 -1,-0.1 0.812 79.3 71.9 -49.8 -36.8 -38.1 -18.9 4.4 80 60CB P G 3 5S+ 0 0 81 0, 0.0 41,-0.0 0, 0.0 0, 0.0 0.614 110.8 36.3 -57.2 -3.1 -36.8 -15.8 2.4 81 60DB W G < 5S- 0 0 178 -3,-1.9 3,-0.1 2,-0.1 -3,-0.0 0.100 117.3-111.7-134.5 10.5 -35.3 -18.5 0.2 82 60EB D T < 5 + 0 0 154 -3,-3.2 2,-0.5 1,-0.2 -5,-0.0 0.844 69.1 149.1 49.4 40.2 -38.1 -21.0 0.5 83 60FB K E < +P 78 0D 49 -5,-1.9 -5,-2.8 2,-0.0 -1,-0.2 -0.896 7.9 143.7-105.7 123.4 -35.7 -23.2 2.4 84 60GB N E -P 77 0D 114 -2,-0.5 -7,-0.2 -7,-0.2 2,-0.2 -0.464 25.1-174.4-157.1 76.6 -37.1 -25.5 5.1 85 60HB F - 0 0 25 -9,-2.5 2,-0.3 -10,-0.1 -2,-0.0 -0.460 6.8-157.3 -77.1 145.3 -35.2 -28.8 5.2 86 60IB T > - 0 0 66 -2,-0.2 3,-2.1 1,-0.0 4,-0.4 -0.731 38.2 -91.1-115.1 168.4 -36.3 -31.7 7.4 87 61 B E G > S+ 0 0 43 1,-0.3 3,-1.3 -2,-0.3 22,-0.5 0.845 122.7 53.8 -46.1 -47.1 -34.1 -34.6 8.7 88 62 B N G 3 S+ 0 0 104 1,-0.2 -1,-0.3 22,-0.1 -3,-0.0 0.548 98.2 65.1 -70.8 -7.1 -34.8 -36.9 5.8 89 63 B D G < S+ 0 0 65 -3,-2.1 -37,-2.9 -37,-0.1 -36,-0.3 0.549 99.8 62.0 -89.9 -8.9 -33.8 -34.3 3.2 90 64 B L E < -K 51 0C 1 -3,-1.3 19,-0.5 -4,-0.4 2,-0.3 -0.719 48.1-174.2-124.4 168.7 -30.1 -34.3 4.3 91 65 B L E -K 50 0C 39 -41,-2.1 -41,-3.1 -2,-0.2 2,-0.4 -0.956 16.7-146.8-148.9 153.3 -26.8 -36.1 4.8 92 66 B V E -KN 49 107C 0 15,-2.2 15,-2.8 -2,-0.3 2,-0.4 -0.960 5.6-149.9-126.0 147.4 -23.5 -35.0 6.4 93 67 B R E -KN 48 106C 42 -45,-2.3 -45,-2.5 -2,-0.4 2,-0.4 -0.967 13.3-170.2-117.7 135.7 -20.0 -35.9 5.4 94 68 B I E +KN 47 105C 0 11,-2.8 11,-2.9 -2,-0.4 -47,-0.2 -0.964 62.5 24.9-128.2 140.1 -17.3 -36.1 7.9 95 69 B G S S+ 0 0 13 -49,-1.0 2,-0.6 -2,-0.4 -1,-0.1 0.559 73.2 148.5 88.8 10.6 -13.5 -36.6 7.4 96 70 B K + 0 0 27 -50,-0.3 -1,-0.2 1,-0.2 3,-0.1 -0.694 15.7 168.3 -85.9 115.3 -13.3 -35.2 3.8 97 71 B H - 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