==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 27-APR-98 1CA8 . COMPND 2 MOLECULE: THROMBIN LIGHT CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR R.KRISHNAN,E.ZHANG,K.HAKANSSON,R.K.ARNI,A.TULINSKY,M.S.L.LIM . 282 6 4 3 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12102.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 174 61.7 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 . 78 27.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 1.1 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 . 20 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 22 7.8 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 1 1 0 2 0 0 0 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 . 5 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 1BA A 0 0 126 0, 0.0 145,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -63.8 13.5 19.6 20.1 2 1AA D > + 0 0 80 143,-0.1 3,-1.5 2,-0.0 144,-0.1 0.285 360.0 146.1-100.5 10.0 10.2 18.5 18.7 3 1 A a T 3 + 0 0 29 1,-0.2 142,-0.2 142,-0.1 143,-0.1 0.004 61.6 7.9 -53.6 143.0 11.1 15.0 19.9 4 2 A G T 3 S+ 0 0 0 140,-2.8 235,-1.1 234,-0.2 2,-0.6 0.496 91.4 115.7 63.8 11.9 8.3 12.7 21.1 5 3 A L < - 0 0 36 -3,-1.5 -1,-0.1 139,-0.2 233,-0.1 -0.974 60.8-140.5-111.6 107.5 5.3 14.9 20.2 6 4 A R > > - 0 0 0 -2,-0.6 3,-2.2 1,-0.1 5,-1.8 -0.640 6.3-138.9 -76.1 132.2 3.3 13.0 17.6 7 5 A P T 3 5S+ 0 0 18 0, 0.0 -1,-0.1 0, 0.0 133,-0.1 0.884 103.6 41.2 -55.1 -35.7 1.8 15.0 14.7 8 6 A L T 3 5S+ 0 0 31 132,-0.5 30,-0.1 29,-0.3 132,-0.0 0.416 130.4 19.2 -95.4 -2.0 -1.5 13.1 14.9 9 7 A F T X>>S+ 0 0 12 -3,-2.2 5,-2.4 28,-0.1 3,-2.0 0.404 128.0 28.0-128.5 -84.6 -1.9 12.9 18.6 10 8 A E G >45S+ 0 0 30 1,-0.3 3,-1.2 3,-0.2 -2,-0.1 0.812 120.1 53.8 -51.7 -47.6 0.0 15.3 20.9 11 9 A K G 34 - 0 0 5 -2,-0.3 3,-0.7 22,-0.1 4,-0.4 -0.321 39.3 -98.7 -79.1 162.9 -4.3 7.1 21.3 17 14AA K T 3 S+ 0 0 153 1,-0.2 -1,-0.1 2,-0.1 -2,-0.0 0.648 114.1 24.2 -70.0 -7.2 -6.7 4.4 22.5 18 14BA T T >> S+ 0 0 28 2,-0.1 3,-0.9 1,-0.1 4,-0.7 0.269 84.5 103.6-136.8 13.7 -4.5 2.9 25.2 19 14CA E H X> S+ 0 0 6 -3,-0.7 4,-1.9 1,-0.2 3,-0.8 0.844 76.1 65.3 -68.3 -28.6 -2.1 5.7 26.4 20 14DA R H 3> S+ 0 0 43 -4,-0.4 4,-2.8 1,-0.3 -1,-0.2 0.766 92.8 63.6 -57.7 -30.5 -4.3 6.3 29.5 21 14EA E H <> S+ 0 0 43 -3,-0.9 4,-0.6 2,-0.2 -1,-0.3 0.910 105.7 44.4 -63.2 -39.8 -3.2 2.8 30.6 22 14FA L H XX S+ 0 0 0 -3,-0.8 3,-1.9 -4,-0.7 4,-1.0 0.987 115.6 45.1 -62.7 -60.3 0.4 4.0 30.7 23 14GA L H >< S+ 0 0 48 -4,-1.9 3,-0.8 1,-0.3 -2,-0.2 0.884 108.9 58.2 -55.3 -37.0 -0.4 7.3 32.5 24 14HA E H 3< S+ 0 0 167 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.699 102.0 55.0 -66.7 -21.7 -2.7 5.5 35.0 25 14IA S H << 0 0 29 -3,-1.9 -1,-0.3 -4,-0.6 -2,-0.2 0.703 360.0 360.0 -85.7 -18.4 0.2 3.2 36.1 26 14JA Y << 0 0 54 -4,-1.0 -1,-0.2 -3,-0.8 135,-0.1 -0.390 360.0 360.0 -80.4 360.0 2.4 6.2 37.0 27 !* 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 28 16 B I 0 0 0 0, 0.0 2,-0.4 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 137.2 4.3 -9.1 19.6 29 17 B V B -A 219 0A 10 190,-2.5 190,-1.5 1,-0.2 143,-0.1 -0.893 360.0 -0.6-109.3 129.1 2.2 -11.6 21.5 30 18 B E S S+ 0 0 127 -2,-0.4 -1,-0.2 141,-0.4 187,-0.1 0.780 100.8 124.5 65.9 31.4 -1.3 -10.6 22.7 31 19 B G - 0 0 27 -3,-0.4 2,-0.3 152,-0.1 152,-0.2 -0.039 52.5-126.6 -98.6-158.5 -1.0 -7.1 21.4 32 20 B S E -B 182 0B 57 150,-1.7 150,-2.2 -2,-0.1 2,-0.2 -0.839 35.6 -71.8-150.1 167.6 -3.3 -5.2 19.0 33 21 B D E -B 181 0B 103 -2,-0.3 148,-0.3 148,-0.2 2,-0.2 -0.578 52.4-117.7 -64.6 141.5 -3.0 -3.3 15.7 34 22 B A - 0 0 6 146,-3.4 2,-0.1 -2,-0.2 146,-0.1 -0.537 25.5-114.6 -77.2 153.8 -1.4 0.0 16.0 35 23 B E > - 0 0 62 -2,-0.2 3,-2.2 1,-0.1 4,-0.3 -0.410 46.0 -84.3 -79.2 148.5 -3.3 3.2 15.1 36 24 B I T 3 S+ 0 0 94 1,-0.3 -1,-0.1 -2,-0.1 57,-0.1 -0.413 115.9 5.1 -59.3 137.7 -2.1 5.1 12.1 37 25 B G T 3 S+ 0 0 13 -2,-0.1 -1,-0.3 54,-0.1 -29,-0.3 0.542 91.4 127.7 58.6 19.6 0.8 7.5 13.2 38 26 B M S < S+ 0 0 4 -3,-2.2 -2,-0.1 1,-0.2 -22,-0.1 0.754 82.3 22.2 -71.2 -22.7 0.8 6.0 16.8 39 27 B S > + 0 0 12 -4,-0.3 3,-2.4 102,-0.1 -1,-0.2 -0.598 69.2 168.6-147.5 70.7 4.5 5.3 16.8 40 28 B P T 3 S+ 0 0 1 0, 0.0 103,-1.8 0, 0.0 51,-0.1 0.535 75.2 60.5 -73.1 -6.1 6.1 7.5 14.2 41 29 B W T 3 S+ 0 0 3 101,-0.2 18,-1.5 103,-0.1 104,-0.1 0.497 77.1 119.7 -94.6 -3.2 9.6 6.8 15.4 42 30 B Q E < -J 58 0C 4 -3,-2.4 49,-0.9 16,-0.2 2,-0.3 -0.365 44.5-171.4 -69.8 124.8 9.1 3.0 14.6 43 31 B V E -JK 57 90C 0 14,-1.7 14,-1.2 47,-0.2 2,-0.5 -0.963 17.2-138.6-117.0 147.6 11.7 1.9 11.9 44 32 B M E -JK 56 89C 0 45,-2.6 45,-2.2 -2,-0.3 2,-0.8 -0.877 10.0-145.2-108.4 124.0 11.9 -1.5 10.0 45 33 B L E -JK 55 88C 0 10,-3.0 9,-2.9 -2,-0.5 10,-0.8 -0.861 28.8-168.7 -90.7 113.4 15.3 -3.0 9.5 46 34 B F E -JK 53 87C 10 41,-3.2 41,-3.4 -2,-0.8 2,-0.5 -0.919 18.7-138.5-118.7 129.0 15.0 -4.6 6.1 47 35 B R E JK 52 86C 80 5,-3.7 5,-0.6 -2,-0.5 39,-0.2 -0.780 360.0 360.0 -85.9 126.1 17.3 -7.0 4.4 48 36 B K 0 0 116 37,-1.6 -1,-0.2 -2,-0.5 38,-0.1 0.913 360.0 360.0 -73.4 360.0 17.9 -6.3 0.7 49 ! 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 50 37 B P 0 0 105 0, 0.0 2,-0.8 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 163.7 16.8 -12.1 0.5 51 38 B Q + 0 0 38 229,-0.1 2,-0.3 -5,-0.1 -3,-0.2 -0.939 360.0 145.5 -96.0 101.7 14.5 -9.0 1.2 52 39 B E E -J 47 0C 66 -2,-0.8 -5,-3.7 -5,-0.6 2,-0.6 -0.959 57.3 -96.4-139.7 156.3 13.3 -9.8 4.7 53 40 B L E +J 46 0C 35 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.677 36.3 177.3 -73.3 113.7 12.4 -8.1 8.0 54 41 B L E - 0 0 27 -9,-2.9 2,-0.3 -2,-0.6 171,-0.2 0.914 56.4 -53.8 -80.0 -49.1 15.5 -8.2 10.3 55 42 B b E -J 45 0C 5 -10,-0.8 -10,-3.0 169,-0.1 -1,-0.3 -0.944 55.9 -87.0-176.7 176.0 14.2 -6.3 13.4 56 43 B G E -J 44 0C 4 169,-2.5 12,-0.3 -2,-0.3 2,-0.3 -0.309 39.2-179.1 -87.8-167.3 12.6 -2.9 14.4 57 44 B A E -J 43 0C 0 -14,-1.2 -14,-1.7 10,-0.1 2,-0.3 -0.829 19.8-120.2-176.0 175.1 14.7 0.2 15.2 58 45 B S E -JL 42 66C 0 8,-1.5 8,-2.7 -2,-0.3 2,-0.6 -0.990 12.6-125.9-140.8 148.3 13.8 3.8 16.3 59 46 B L E + L 0 65C 0 -18,-1.5 86,-2.3 -2,-0.3 6,-0.2 -0.879 29.4 167.6 -94.5 121.0 14.3 7.2 14.8 60 47 B I - 0 0 21 4,-2.3 2,-0.3 -2,-0.6 87,-0.2 0.507 69.7 -4.2-112.1 -11.3 16.0 9.6 17.3 61 48 B S S S- 0 0 36 3,-1.1 3,-0.3 85,-0.1 -1,-0.2 -0.899 88.1 -81.9-159.2-171.3 16.9 12.4 14.9 62 49 B D S S+ 0 0 72 -2,-0.3 74,-2.8 1,-0.2 72,-0.1 0.704 129.4 26.5 -76.5 -16.7 16.7 13.1 11.1 63 50 B R S S+ 0 0 57 72,-0.2 69,-2.5 1,-0.1 2,-0.4 0.406 107.9 78.0-123.2 0.7 19.9 11.2 10.6 64 51 B W E - M 0 131C 7 -3,-0.3 -4,-2.3 67,-0.2 -3,-1.1 -0.983 46.7-170.7-126.9 132.3 20.2 8.6 13.4 65 52 B V E -LM 59 130C 0 65,-2.8 65,-1.9 -2,-0.4 2,-0.4 -0.935 12.5-149.5-115.0 141.5 18.5 5.2 14.1 66 53 B L E +LM 58 129C 0 -8,-2.7 -8,-1.5 -2,-0.4 2,-0.2 -0.890 29.7 149.5-105.8 138.0 18.8 3.2 17.4 67 54 B T E - M 0 128C 0 61,-2.6 61,-2.0 -2,-0.4 2,-0.3 -0.817 49.3 -76.6-150.3-176.2 18.7 -0.6 17.4 68 55 B A > - 0 0 0 -12,-0.3 3,-1.6 59,-0.3 4,-0.4 -0.756 34.1-136.5 -86.5 131.5 19.9 -3.8 19.2 69 56 B A G >> S+ 0 0 0 -2,-0.3 4,-2.2 1,-0.3 3,-1.3 0.798 103.3 63.0 -58.9 -31.7 23.5 -4.8 18.4 70 57 B H G 34 S+ 0 0 20 1,-0.3 -1,-0.3 2,-0.2 9,-0.1 0.618 88.2 70.1 -71.2 -18.5 22.5 -8.4 18.0 71 58 B b G <4 S+ 0 0 1 -3,-1.6 -1,-0.3 1,-0.1 -2,-0.2 0.721 115.3 26.2 -61.6 -29.9 20.3 -7.4 15.0 72 59 B L T <4 S+ 0 0 1 -3,-1.3 9,-2.7 -4,-0.4 2,-0.4 0.693 129.2 31.9-102.6 -34.5 23.5 -6.8 13.2 73 60 B L E < +P 80 0D 37 -4,-2.2 -1,-0.3 7,-0.2 7,-0.2 -0.916 51.1 142.9-141.5 116.7 26.1 -9.0 14.8 74 60AB Y E > > -P 79 0D 49 5,-3.1 3,-2.2 -2,-0.4 5,-2.0 -0.655 21.6-171.8-152.5 81.9 25.7 -12.4 16.4 75 60BB P G > 5S+ 0 0 45 0, 0.0 3,-2.4 0, 0.0 -1,-0.1 0.803 81.2 64.2 -50.7 -40.3 28.7 -14.6 15.6 76 60CB P G 3 5S+ 0 0 72 0, 0.0 44,-0.0 0, 0.0 0, 0.0 0.615 111.6 38.4 -52.5 -30.6 27.2 -17.8 17.1 77 60DB W G < 5S- 0 0 185 -3,-2.2 3,-0.1 2,-0.2 0, 0.0 0.197 117.5-113.0-104.1 8.7 24.5 -17.6 14.3 78 60EB D T < 5 + 0 0 157 -3,-2.4 2,-0.5 1,-0.2 -5,-0.0 0.690 66.7 149.6 59.5 37.6 26.9 -16.4 11.7 79 60FB K E < +P 74 0D 47 -5,-2.0 -5,-3.1 -9,-0.1 -1,-0.2 -0.802 6.0 146.6-103.7 113.0 25.2 -13.0 11.6 80 60GB N E -P 73 0D 114 -2,-0.5 -7,-0.2 -7,-0.2 2,-0.2 -0.503 26.3-168.6-144.0 75.3 27.5 -10.0 10.7 81 60HB F - 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