==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 05-JUL-11 3SQE . COMPND 2 MOLECULE: THROMBIN LIGHT CHAIN, HEAVY CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR N.POZZI,Z.CHEN,E.DI CERA . 289 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13626.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 171 59.2 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 . 71 24.6 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 . 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 . 19 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 31 10.7 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 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 . 3 4 2 2 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 1CE E > 0 0 116 0, 0.0 3,-0.7 0, 0.0 150,-0.1 0.000 360.0 360.0 360.0 108.7 16.6 11.9 3.4 2 1BE A T 3 + 0 0 94 1,-0.2 0, 0.0 0, 0.0 0, 0.0 0.857 360.0 28.5 -60.3 -44.5 14.7 13.8 0.7 3 1AE D T > S+ 0 0 63 146,-0.0 3,-1.1 2,-0.0 -1,-0.2 0.298 87.3 141.8-105.0 7.2 11.8 11.3 -0.0 4 1 E a T < + 0 0 13 -3,-0.7 145,-0.3 1,-0.2 146,-0.1 -0.056 61.2 16.6 -54.7 148.2 11.6 9.6 3.4 5 2 E G T 3 S+ 0 0 0 143,-3.0 245,-1.8 1,-0.2 2,-0.5 0.484 89.8 111.1 76.6 5.0 8.3 8.6 4.9 6 3 E L < - 0 0 30 -3,-1.1 -1,-0.2 142,-0.3 243,-0.1 -0.968 63.0-139.5-111.1 117.0 6.1 8.8 1.8 7 4 E R > > - 0 0 0 -2,-0.5 5,-2.3 1,-0.1 3,-1.4 -0.600 5.3-141.8 -86.7 131.7 5.0 5.2 0.8 8 5 E P T 3 5S+ 0 0 15 0, 0.0 -1,-0.1 0, 0.0 136,-0.1 0.852 103.1 43.2 -55.1 -36.9 5.0 4.3 -2.9 9 6 E L T 3 5S+ 0 0 26 135,-0.5 33,-0.1 32,-0.4 135,-0.1 0.439 129.3 20.9 -93.5 -1.4 1.8 2.3 -2.5 10 7 E F T X >S+ 0 0 13 -3,-1.4 5,-2.8 31,-0.1 3,-1.2 0.455 128.4 24.0-125.4 -87.3 -0.0 4.7 -0.3 11 8 E E G > 5S+ 0 0 24 1,-0.3 3,-1.1 3,-0.2 -2,-0.1 0.870 124.9 49.7 -54.6 -44.3 0.9 8.4 -0.1 12 9 E K G 3 S+ 0 0 32 2,-0.1 4,-1.6 3,-0.1 3,-0.4 0.401 85.8 103.1-135.4 4.6 -6.3 2.8 10.1 20 14CE E H > S+ 0 0 1 -3,-0.4 4,-2.7 1,-0.2 5,-0.2 0.837 83.3 58.1 -61.0 -30.1 -4.0 5.8 9.5 21 14DE R H > S+ 0 0 160 -4,-0.4 4,-2.0 1,-0.2 -1,-0.2 0.896 103.0 52.8 -67.1 -37.4 -6.9 8.2 9.9 22 14EE E H >>S+ 0 0 36 -3,-0.4 5,-2.5 2,-0.2 4,-0.5 0.891 110.2 49.0 -61.6 -39.4 -7.5 6.7 13.3 23 14FE L H ><5S+ 0 0 8 -4,-1.6 3,-1.3 3,-0.2 143,-0.5 0.951 110.9 48.7 -60.9 -49.8 -3.8 7.5 14.1 24 14GE L H 3<5S+ 0 0 60 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.810 115.5 44.8 -65.3 -29.4 -4.1 11.1 12.8 25 14HE E H 3<5S- 0 0 151 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.490 104.9-128.6 -88.5 -6.1 -7.2 11.6 14.8 26 14IE S T <<5 + 0 0 41 -3,-1.3 2,-0.4 -4,-0.5 -3,-0.2 0.866 49.5 172.3 58.1 37.2 -5.8 10.0 18.0 27 14JE Y < - 0 0 108 -5,-2.5 2,-0.6 -6,-0.2 -1,-0.2 -0.650 26.5-166.7 -88.6 130.1 -9.0 7.9 18.0 28 14KE I - 0 0 77 -2,-0.4 2,-0.0 -3,-0.1 168,-0.0 -0.940 15.4-153.6-115.0 105.6 -9.4 5.0 20.4 29 14LE D - 0 0 37 -2,-0.6 -7,-0.0 1,-0.1 0, 0.0 -0.276 23.9-119.2 -69.3 160.5 -12.4 2.9 19.3 30 14ME G S S+ 0 0 67 -2,-0.0 -1,-0.1 195,-0.0 -2,-0.0 0.625 77.7 117.7 -72.9 -12.9 -14.4 0.8 21.8 31 15 E R - 0 0 89 1,-0.1 -2,-0.0 2,-0.1 3,-0.0 -0.172 61.0-142.3 -60.0 150.6 -13.5 -2.4 19.9 32 16 E I S S+ 0 0 67 1,-0.1 196,-2.6 195,-0.1 2,-0.6 0.922 79.2 63.3 -80.0 -47.9 -11.4 -5.1 21.6 33 17 E V + 0 0 72 194,-0.2 196,-0.2 1,-0.2 -1,-0.1 -0.735 46.9 159.5 -95.3 117.9 -9.1 -6.3 18.8 34 18 E E + 0 0 17 -2,-0.6 195,-0.3 194,-0.1 161,-0.3 0.707 49.6 84.9-104.2 -30.0 -6.6 -3.8 17.5 35 19 E G + 0 0 16 193,-1.2 2,-0.3 159,-0.1 159,-0.2 -0.409 52.6 150.0 -74.9 150.1 -3.9 -6.0 15.9 36 20 E S E -A 193 0A 62 157,-1.8 157,-2.6 -2,-0.1 2,-0.2 -0.982 51.0 -65.9-162.4 174.1 -4.2 -7.3 12.3 37 21 E D E -A 192 0A 110 -2,-0.3 155,-0.3 155,-0.2 2,-0.1 -0.524 57.3-122.0 -62.1 131.5 -2.4 -8.4 9.1 38 22 E A - 0 0 6 153,-3.1 2,-0.2 -2,-0.2 153,-0.1 -0.428 23.8-111.5 -69.3 152.3 -0.7 -5.4 7.5 39 23 E E > - 0 0 48 1,-0.1 3,-1.7 -2,-0.1 4,-0.2 -0.567 47.5 -82.3 -79.8 152.3 -1.6 -4.4 4.0 40 24 E I T 3 S+ 0 0 83 1,-0.2 -1,-0.1 -2,-0.2 57,-0.1 -0.330 114.5 7.3 -55.2 127.8 1.1 -4.9 1.3 41 25 E G T 3 S+ 0 0 12 55,-0.1 -32,-0.4 2,-0.1 -1,-0.2 0.598 89.2 126.2 77.7 11.7 3.6 -2.0 1.2 42 26 E M S < S+ 0 0 4 -3,-1.7 -2,-0.1 1,-0.3 -25,-0.1 0.712 83.2 25.1 -75.4 -24.3 2.2 -0.4 4.4 43 27 E S > + 0 0 9 -4,-0.2 3,-2.1 102,-0.1 -1,-0.3 -0.596 69.5 166.0-138.5 68.5 5.6 -0.4 6.1 44 28 E P T 3 S+ 0 0 1 0, 0.0 103,-1.4 0, 0.0 51,-0.2 0.608 74.6 62.9 -73.6 -7.3 8.2 -0.3 3.3 45 29 E W T 3 S+ 0 0 2 101,-0.2 18,-2.2 103,-0.1 104,-0.1 0.386 77.0 124.9 -86.0 -2.3 11.0 0.7 5.8 46 30 E Q E < -I 62 0B 3 -3,-2.1 49,-0.9 16,-0.2 2,-0.4 -0.368 40.4-172.4 -64.8 133.7 10.5 -2.7 7.6 47 31 E V E -IJ 61 94B 0 14,-2.0 14,-1.5 47,-0.2 2,-0.5 -0.993 18.4-146.4-131.5 139.7 13.6 -4.7 8.0 48 32 E M E -IJ 60 93B 0 45,-2.6 45,-2.3 -2,-0.4 2,-0.7 -0.913 10.2-148.9 -98.7 126.4 14.3 -8.3 9.3 49 33 E L E -IJ 59 92B 0 10,-3.1 9,-3.1 -2,-0.5 10,-1.5 -0.877 30.3-169.1 -90.3 115.0 17.7 -8.8 11.0 50 34 E F E -IJ 57 91B 18 41,-3.0 41,-2.4 -2,-0.7 2,-0.4 -0.828 22.4-129.0-116.7 142.5 18.3 -12.4 10.1 51 35 E R E > -IJ 56 90B 66 5,-3.4 5,-1.0 -2,-0.4 39,-0.2 -0.742 11.9-148.8 -85.0 137.9 20.8 -15.0 11.3 52 36 E K T 5S+ 0 0 76 37,-2.5 -1,-0.1 -2,-0.4 38,-0.1 0.948 78.8 53.0 -66.1 -51.2 22.8 -16.7 8.5 53 36AE S T 5S+ 0 0 103 36,-0.4 -1,-0.3 1,-0.3 2,-0.2 -0.964 120.0 16.3-144.8 116.6 23.3 -20.0 10.3 54 37 E P T 5S- 0 0 80 0, 0.0 2,-0.7 0, 0.0 -1,-0.3 0.688 104.2-117.0 -69.0 162.0 21.0 -21.4 11.4 55 38 E Q T 5 + 0 0 159 -2,-0.2 2,-0.3 -3,-0.1 -3,-0.2 -0.563 59.4 138.3 -68.6 109.9 18.5 -19.4 9.3 56 39 E E E < -I 51 0B 77 -5,-1.0 -5,-3.4 -2,-0.7 2,-0.5 -0.992 58.6-106.1-154.6 150.8 16.3 -17.5 11.8 57 40 E L E +I 50 0B 28 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.645 35.8 175.1 -73.3 119.7 14.8 -14.1 12.5 58 41 E L E - 0 0 24 -9,-3.1 2,-0.3 -2,-0.5 -8,-0.2 0.865 56.3 -30.0 -91.0 -46.2 16.8 -12.4 15.2 59 42 E b E -I 49 0B 5 -10,-1.5 -10,-3.1 176,-0.1 -1,-0.4 -0.946 59.1-100.6-160.7 171.1 15.2 -8.9 15.5 60 43 E G E +I 48 0B 0 176,-3.2 12,-0.4 -2,-0.3 2,-0.3 -0.526 36.0 168.2 -97.3 176.8 13.5 -6.2 13.6 61 44 E A E -I 47 0B 0 -14,-1.5 -14,-2.0 -2,-0.2 2,-0.3 -0.931 23.7-119.0-170.9 179.3 15.0 -3.0 12.2 62 45 E S E -IK 46 70B 0 8,-1.9 8,-2.7 -2,-0.3 2,-0.6 -0.991 17.2-121.1-142.0 150.2 14.1 -0.1 9.9 63 46 E L E + K 0 69B 0 -18,-2.2 86,-2.3 -2,-0.3 6,-0.2 -0.781 31.3 167.3 -92.1 120.3 15.5 1.4 6.7 64 47 E I - 0 0 11 4,-2.3 2,-0.3 -2,-0.6 5,-0.2 0.562 68.2 -10.5-112.3 -12.7 16.5 5.1 7.2 65 48 E S S S- 0 0 12 3,-1.2 -1,-0.3 85,-0.1 3,-0.2 -0.920 87.0 -78.8-162.8-173.6 18.4 5.6 4.0 66 49 E D S S+ 0 0 68 -2,-0.3 74,-2.6 1,-0.2 72,-0.1 0.686 129.8 26.9 -71.0 -14.8 19.8 3.5 1.1 67 50 E R S S+ 0 0 66 72,-0.2 69,-2.7 1,-0.1 2,-0.4 0.443 109.3 77.5-122.8 -5.6 22.8 2.4 3.2 68 51 E W E - L 0 135B 8 67,-0.2 -4,-2.3 -3,-0.2 -3,-1.2 -0.927 46.3-174.5-124.3 137.3 21.6 2.6 6.8 69 52 E V E -KL 63 134B 0 65,-2.2 65,-2.4 -2,-0.4 2,-0.4 -0.985 15.5-146.8-127.8 134.0 19.5 0.4 9.0 70 53 E L E +KL 62 133B 0 -8,-2.7 -8,-1.9 -2,-0.4 2,-0.2 -0.837 29.9 146.4-103.7 137.2 18.4 1.3 12.5 71 54 E T E - L 0 132B 0 61,-2.7 61,-2.4 -2,-0.4 2,-0.4 -0.827 48.9 -76.9-151.5-174.3 17.9 -1.2 15.4 72 55 E A > - 0 0 0 -12,-0.4 3,-1.0 59,-0.3 4,-0.4 -0.770 32.4-133.5 -94.3 143.3 18.2 -1.8 19.1 73 56 E A G >> S+ 0 0 0 -2,-0.4 4,-2.6 1,-0.2 3,-1.8 0.869 102.8 63.2 -60.5 -36.4 21.6 -2.4 20.6 74 57 E H G 34 S+ 0 0 5 1,-0.3 -1,-0.2 2,-0.2 183,-0.0 0.694 92.1 66.0 -67.7 -16.6 20.5 -5.4 22.7 75 58 E b G <4 S+ 0 0 2 -3,-1.0 -1,-0.3 1,-0.1 -2,-0.2 0.757 117.2 25.7 -67.2 -27.5 19.6 -7.2 19.5 76 59 E L T <4 S+ 0 0 1 -3,-1.8 9,-2.7 -4,-0.4 2,-0.4 0.738 129.4 30.6-105.8 -35.1 23.3 -7.3 18.7 77 60 E L E < +O 84 0C 39 -4,-2.6 -1,-0.3 7,-0.2 7,-0.2 -0.951 53.2 143.1-142.0 111.5 25.1 -7.0 22.0 78 60AE Y E > > -O 83 0C 31 5,-2.6 5,-1.8 -2,-0.4 3,-1.6 -0.628 22.2-170.5-149.0 85.2 24.0 -8.4 25.4 79 60BE P G > 5S+ 0 0 56 0, 0.0 3,-2.1 0, 0.0 -1,-0.1 0.791 82.0 62.4 -51.2 -37.8 26.9 -9.8 27.4 80 60CE P G 3 5S+ 0 0 74 0, 0.0 44,-0.0 0, 0.0 -2,-0.0 0.834 110.5 42.2 -60.8 -26.8 24.8 -11.4 30.2 81 60DE W G < 5S- 0 0 125 -3,-1.6 3,-0.1 2,-0.1 -3,-0.0 0.215 117.4-113.7 -97.9 15.5 23.3 -13.6 27.6 82 60EE D T < 5 + 0 0 154 -3,-2.1 2,-0.6 1,-0.2 -5,-0.0 0.887 66.0 155.4 52.4 40.9 26.6 -14.2 25.9 83 60FE K E < +O 78 0C 42 -5,-1.8 -5,-2.6 2,-0.0 -1,-0.2 -0.890 8.5 141.9-105.6 118.3 25.2 -12.3 22.9 84 60GE N E -O 77 0C 104 -2,-0.6 2,-0.3 -7,-0.2 -7,-0.2 -0.607 25.9-166.5-153.9 94.2 27.6 -10.6 20.5 85 60HE F - 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