==== 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 05-JAN-08 3BV9 . COMPND 2 MOLECULE: THROMBIN LIGHT CHAIN; . SOURCE 2 SYNTHETIC: YES; . AUTHOR M.T.NIEMAN,F.BURKE,M.WARNOCK,Y.ZHOU,J.SWEIGERT,A.CHEN,D.RICK . 293 3 4 3 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13071.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 178 60.8 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 25.9 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 . 3 1.0 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 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 28 9.6 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 2 1 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 1CA E > 0 0 135 0, 0.0 3,-1.5 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 11.1 -2.2 43.7 0.4 2 1BA A T 3 - 0 0 93 1,-0.2 147,-0.0 147,-0.0 0, 0.0 -0.472 360.0 -40.1 68.5-127.5 -0.2 44.9 -2.6 3 1AA D T > S+ 0 0 69 -2,-0.3 3,-1.3 145,-0.1 -1,-0.2 0.101 89.6 149.7-122.3 19.2 0.5 42.1 -5.1 4 1 A a T < + 0 0 11 -3,-1.5 144,-0.2 1,-0.2 145,-0.1 -0.132 61.1 15.2 -58.0 147.7 1.3 39.4 -2.6 5 2 A G T 3 S+ 0 0 0 142,-2.8 244,-1.6 243,-0.2 2,-0.7 0.522 91.3 112.0 69.2 7.3 0.6 35.8 -3.4 6 3 A L < - 0 0 27 -3,-1.3 -1,-0.1 141,-0.3 242,-0.1 -0.923 62.6-141.2-113.5 107.7 0.1 36.2 -7.1 7 4 A R > > - 0 0 0 -2,-0.7 5,-2.5 1,-0.1 3,-1.2 -0.467 6.4-138.7 -76.6 133.6 3.0 34.4 -8.8 8 5 A P T 3 5S+ 0 0 20 0, 0.0 -1,-0.1 0, 0.0 135,-0.1 0.823 103.8 42.1 -55.2 -35.5 4.6 36.0 -11.9 9 6 A L T 3 5S+ 0 0 26 134,-0.4 32,-0.1 31,-0.3 -2,-0.1 0.475 129.7 20.6 -95.7 0.2 4.9 32.7 -13.8 10 7 A F T X >S+ 0 0 14 -3,-1.2 5,-2.6 30,-0.1 3,-1.7 0.460 128.0 24.6-127.2 -89.2 1.5 31.3 -12.8 11 8 A E G > 5S+ 0 0 27 1,-0.3 3,-1.3 3,-0.2 -5,-0.1 0.863 121.3 55.0 -51.6 -44.0 -1.4 33.5 -11.6 12 9 A K G 3 - 0 0 7 -2,-0.4 3,-0.5 1,-0.1 4,-0.5 -0.387 37.1 -96.3 -79.1 169.2 1.0 24.7 -11.6 18 14AA K T 3 S+ 0 0 175 1,-0.2 -1,-0.1 2,-0.1 4,-0.1 0.665 114.2 27.3 -62.0 -22.3 0.7 20.9 -11.6 19 14BA T T >> S+ 0 0 36 2,-0.1 3,-1.1 1,-0.1 4,-0.9 0.454 85.6 95.8-123.0 1.8 -0.8 20.4 -8.2 20 14CA E H X> S+ 0 0 10 -3,-0.5 4,-2.2 1,-0.3 3,-0.6 0.843 81.0 64.8 -63.4 -29.1 -2.8 23.4 -7.2 21 14DA R H 3> S+ 0 0 117 -4,-0.5 4,-3.0 1,-0.3 -1,-0.3 0.863 96.0 57.8 -59.2 -33.6 -5.9 21.8 -8.4 22 14EA E H <> S+ 0 0 45 -3,-1.1 4,-1.1 1,-0.2 -1,-0.3 0.857 107.0 48.9 -63.8 -35.2 -5.4 19.1 -5.7 23 14FA L H << S+ 0 0 0 -4,-0.9 142,-0.5 -3,-0.6 4,-0.4 0.938 112.1 47.2 -68.0 -47.0 -5.5 21.9 -3.1 24 14GA L H >< S+ 0 0 81 -4,-2.2 3,-2.0 1,-0.2 -2,-0.2 0.945 110.0 53.1 -60.9 -48.5 -8.7 23.4 -4.6 25 14HA E H >X S+ 0 0 104 -4,-3.0 3,-1.5 1,-0.3 4,-1.3 0.797 97.6 66.8 -57.9 -29.1 -10.4 20.1 -4.8 26 14IA S T 3< S+ 0 0 5 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.620 83.5 72.4 -71.4 -10.9 -9.7 19.5 -1.1 27 14JA Y T <4 S+ 0 0 31 -3,-2.0 -1,-0.3 -4,-0.4 -2,-0.2 0.416 106.8 38.8 -81.0 6.6 -12.0 22.4 -0.1 28 14KA I T <4 0 0 148 -3,-1.5 -2,-0.2 135,-0.1 -1,-0.2 0.645 360.0 360.0-118.1 -40.4 -14.8 20.0 -1.1 29 14LA D < 0 0 149 -4,-1.3 -1,-0.1 134,-0.1 -2,-0.1 -0.472 360.0 360.0 -89.5 360.0 -13.4 16.6 0.2 30 !* 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 31 16 B I 0 0 0 0, 0.0 3,-0.5 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 127.4 10.7 17.0 2.3 32 17 B V B +A 229 0A 9 197,-3.1 197,-1.6 1,-0.2 143,-0.1 -0.824 360.0 1.1 -99.5 136.1 9.7 13.3 2.3 33 18 B E S S+ 0 0 130 141,-0.4 -1,-0.2 -2,-0.4 194,-0.2 0.788 100.6 126.9 60.2 33.5 7.6 11.9 -0.6 34 19 B G - 0 0 28 -3,-0.5 2,-0.3 159,-0.1 159,-0.2 -0.293 50.9-126.5-103.6-167.6 7.5 15.3 -2.4 35 20 B S E -B 192 0B 65 157,-2.2 157,-2.1 -2,-0.1 -3,-0.0 -0.923 35.4 -75.8-137.2 164.7 8.4 16.2 -5.9 36 21 B D E -B 191 0B 101 -2,-0.3 155,-0.2 155,-0.2 2,-0.1 -0.327 51.7-114.9 -57.8 140.9 10.6 18.8 -7.6 37 22 B A - 0 0 7 153,-2.4 2,-0.1 59,-0.2 -1,-0.1 -0.446 27.9-116.7 -73.9 148.5 9.2 22.4 -7.6 38 23 B E > - 0 0 44 1,-0.1 3,-1.8 -2,-0.1 4,-0.3 -0.449 49.4 -78.8 -77.6 160.7 8.3 23.8 -11.0 39 24 B I T 3 S+ 0 0 86 1,-0.3 -1,-0.1 2,-0.1 57,-0.0 -0.471 118.6 4.8 -62.5 130.7 10.3 26.9 -12.0 40 25 B G T 3 S+ 0 0 12 -2,-0.2 -31,-0.3 2,-0.1 -1,-0.3 0.625 92.5 128.9 68.8 14.9 8.9 30.0 -10.1 41 26 B M S < S+ 0 0 7 -3,-1.8 -2,-0.1 1,-0.3 -34,-0.1 0.822 81.4 22.2 -70.3 -34.3 6.4 27.8 -8.2 42 27 B S S > S+ 0 0 13 -4,-0.3 3,-2.3 1,-0.1 -1,-0.3 -0.562 70.2 166.6-133.5 68.6 7.3 29.1 -4.8 43 28 B P T 3 S+ 0 0 3 0, 0.0 103,-1.6 0, 0.0 51,-0.1 0.605 74.2 63.3 -64.6 -7.4 8.9 32.6 -5.4 44 29 B W T 3 S+ 0 0 2 101,-0.2 18,-2.3 103,-0.1 104,-0.1 0.437 75.5 124.9 -92.6 1.4 8.7 33.5 -1.7 45 30 B Q E < -J 61 0C 4 -3,-2.3 49,-1.0 16,-0.2 2,-0.4 -0.379 39.0-175.2 -65.0 131.3 11.1 30.7 -0.9 46 31 B V E -JK 60 93C 0 14,-2.2 14,-1.2 47,-0.2 2,-0.5 -0.975 16.8-145.0-129.2 142.7 14.1 31.9 1.1 47 32 B M E -JK 59 92C 2 45,-2.7 45,-1.9 -2,-0.4 2,-0.6 -0.922 11.8-148.7-106.7 131.3 17.2 29.9 2.2 48 33 B L E -JK 58 91C 0 10,-2.5 9,-3.0 -2,-0.5 10,-1.4 -0.896 20.3-175.3-103.4 121.7 18.8 30.8 5.6 49 34 B F E -JK 56 90C 17 41,-2.7 41,-1.9 -2,-0.6 2,-0.4 -0.874 27.7-129.3-117.4 149.8 22.6 30.3 5.8 50 35 B R E > -JK 55 89C 81 5,-2.7 5,-1.7 -2,-0.3 39,-0.3 -0.743 26.4-137.7 -86.6 140.9 25.1 30.6 8.6 51 36 B K T 5S+ 0 0 82 37,-2.8 3,-0.3 -2,-0.4 -1,-0.1 0.949 75.8 49.5 -66.8 -52.5 28.0 32.8 7.2 52 36AB S T 5S+ 0 0 102 1,-0.5 -1,-0.2 36,-0.3 2,-0.1 -0.960 118.1 22.6-149.0 122.3 31.1 30.9 8.5 53 37 B P T 5S- 0 0 88 0, 0.0 -1,-0.5 0, 0.0 -3,-0.2 0.518 109.6-121.7 -72.4 143.3 31.5 28.2 8.2 54 38 B Q T 5 + 0 0 96 -3,-0.3 2,-0.3 -2,-0.1 -3,-0.2 -0.259 49.2 157.4 -52.3 127.3 29.0 28.6 5.3 55 39 B E E < -J 50 0C 92 -5,-1.7 -5,-2.7 -3,-0.0 2,-0.5 -0.929 46.3-119.2-160.8 134.6 26.1 26.3 5.9 56 40 B L E +J 49 0C 36 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.590 37.8 170.3 -74.8 120.2 22.4 25.9 4.9 57 41 B L E - 0 0 8 -9,-3.0 2,-0.3 -2,-0.5 -8,-0.2 0.857 47.3 -26.1-100.3 -41.9 20.4 26.1 8.1 58 42 B b E -J 48 0C 3 -10,-1.4 -10,-2.5 176,-0.1 -1,-0.3 -0.947 57.7 -95.7-162.3 176.1 16.7 26.4 7.5 59 43 B G E +J 47 0C 5 176,-3.1 12,-0.4 -2,-0.3 2,-0.3 -0.477 39.6 169.2 -98.8 173.4 14.0 27.4 5.2 60 44 B A E -J 46 0C 0 -14,-1.2 -14,-2.2 -2,-0.2 2,-0.3 -0.943 22.3-122.2-169.7 175.7 12.2 30.8 5.4 61 45 B S E -JL 45 69C 0 8,-2.3 8,-2.8 -2,-0.3 2,-0.6 -0.988 13.5-123.5-141.7 150.7 9.8 32.9 3.4 62 46 B L E + L 0 68C 0 -18,-2.3 86,-2.3 -2,-0.3 6,-0.2 -0.786 29.0 167.5 -92.0 122.6 9.6 36.4 1.8 63 47 B I S S- 0 0 20 4,-2.3 2,-0.3 -2,-0.6 5,-0.2 0.462 70.6 -7.9-112.4 -3.6 6.6 38.5 3.0 64 48 B S S S- 0 0 28 3,-1.0 -1,-0.2 85,-0.1 75,-0.1 -0.930 89.2 -78.2-169.8-177.7 7.7 41.9 1.6 65 49 B D S S+ 0 0 67 -2,-0.3 74,-2.1 1,-0.2 72,-0.1 0.592 129.1 23.8 -75.3 -5.9 10.8 43.4 -0.0 66 50 B R S S+ 0 0 48 223,-0.4 69,-2.6 72,-0.2 2,-0.4 0.442 108.3 79.2-134.5 0.9 12.5 43.7 3.3 67 51 B W E - M 0 134C 0 67,-0.2 -4,-2.3 222,-0.1 -3,-1.0 -0.938 47.8-173.3-121.8 133.8 11.0 41.1 5.6 68 52 B V E -LM 62 133C 0 65,-2.5 65,-2.3 -2,-0.4 2,-0.4 -0.982 13.1-147.7-123.0 134.1 11.6 37.4 5.9 69 53 B L E +LM 61 132C 0 -8,-2.8 -8,-2.3 -2,-0.4 2,-0.3 -0.787 30.2 145.4-101.7 137.7 9.6 35.0 8.1 70 54 B T E - M 0 131C 0 61,-2.3 61,-2.1 -2,-0.4 2,-0.4 -0.869 49.9 -71.0-153.4-174.9 11.1 31.9 9.7 71 55 B A >> - 0 0 0 -12,-0.4 3,-1.6 -2,-0.3 4,-0.5 -0.749 31.2-135.2 -90.2 138.3 10.9 29.7 12.7 72 56 B A H >> S+ 0 0 0 -2,-0.4 4,-2.8 1,-0.3 3,-1.9 0.894 104.7 62.7 -55.3 -39.7 12.3 31.0 16.0 73 57 B H H 34 S+ 0 0 0 1,-0.3 -1,-0.3 2,-0.2 7,-0.1 0.713 92.0 65.3 -64.8 -14.7 14.1 27.7 16.6 74 58 B b H <4 S+ 0 0 0 -3,-1.6 -1,-0.3 1,-0.1 9,-0.2 0.777 116.0 27.8 -73.0 -25.0 16.2 28.2 13.5 75 59 B L H << S+ 0 0 1 -3,-1.9 9,-2.4 -4,-0.5 2,-0.5 0.758 130.4 31.4-104.7 -37.8 17.8 31.2 15.2 76 60 B L E < S+P 83 0D 50 -4,-2.8 7,-0.3 7,-0.2 -1,-0.2 -0.878 75.3 110.0-132.0 101.7 17.6 30.4 18.9 77 60AB Y E > > -P 82 0D 18 5,-3.3 5,-2.3 -2,-0.5 3,-1.8 -0.387 35.2-170.5-173.0 86.9 17.8 26.8 20.1 78 60BB P G > 5S+ 0 0 63 0, 0.0 3,-2.2 0, 0.0 5,-0.1 0.837 85.0 62.8 -47.2 -48.5 20.9 25.4 21.9 79 60CB P G 3 5S+ 0 0 91 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 0.668 110.7 41.1 -57.2 -17.4 19.9 21.7 21.8 80 60DB W G < 5S- 0 0 31 -3,-1.8 3,-0.1 2,-0.2 -4,-0.0 -0.047 121.5-102.6-120.3 28.1 20.1 21.9 17.9 81 60EB D T < 5S+ 0 0 136 -3,-2.2 2,-0.5 1,-0.2 -5,-0.0 0.823 78.2 141.1 53.4 35.0 23.2 24.0 17.7 82 60FB K E < +P 77 0D 15 -5,-2.3 -5,-3.3 2,-0.0 -1,-0.2 -0.942 2.9 120.7-113.8 126.1 21.1 27.1 17.0 83 60GB N E +P 76 0D 106 -2,-0.5 2,-0.3 -7,-0.3 -7,-0.2 -0.412 32.0 150.5 179.0 96.7 21.9 30.5 18.4 84 60HB F - 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