==== 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 27-JUN-94 1HAG . COMPND 2 MOLECULE: PRETHROMBIN 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.TULINSKY,J.VIJAYALAKSHMI . 305 2 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14531.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 176 57.7 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 . 72 23.6 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 . 2 0.7 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 . 22 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 25 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.6 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 2 0 1 0 0 0 0 0 0 1 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 . 2 4 1 3 3 1 1 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 1HE T 0 0 149 0, 0.0 2,-0.3 0, 0.0 4,-0.0 0.000 360.0 360.0 360.0 53.3 22.6 20.0 16.5 2 1GE F - 0 0 74 1,-0.2 4,-0.1 2,-0.1 68,-0.1 -0.694 360.0 -29.8 -86.8 136.3 22.1 16.3 15.8 3 1FE G S S+ 0 0 16 -2,-0.3 3,-0.2 1,-0.2 -1,-0.2 0.553 106.9 112.9 27.6 25.3 20.6 14.1 18.6 4 1EE S S S- 0 0 66 1,-0.7 -1,-0.2 286,-0.1 2,-0.1 -0.018 108.4 -37.8-103.8 19.4 22.4 16.7 20.9 5 1DE G - 0 0 48 -4,-0.0 -1,-0.7 1,-0.0 2,-0.3 -0.115 65.5-144.3 122.4 149.7 18.8 17.4 21.6 6 1CE E > - 0 0 57 -3,-0.2 3,-2.0 -2,-0.1 -4,-0.1 -0.878 6.9-150.8-146.4 104.9 15.8 17.4 19.1 7 1BE A T 3 S+ 0 0 88 1,-0.3 -1,-0.1 -2,-0.3 148,-0.0 0.687 92.0 37.7 -37.3 -55.7 13.1 20.0 19.7 8 1AE D T > S+ 0 0 62 146,-0.0 3,-1.5 2,-0.0 -1,-0.3 0.350 83.9 141.3 -84.4 -7.3 10.1 18.2 18.3 9 1 E a T < + 0 0 15 -3,-2.0 145,-0.2 1,-0.2 146,-0.1 -0.076 68.3 6.4 -44.3 141.0 11.0 14.7 19.6 10 2 E G T 3 S+ 0 0 0 143,-2.7 245,-0.7 1,-0.2 2,-0.7 0.498 91.0 114.2 62.5 16.1 8.2 12.5 20.9 11 3 E L < - 0 0 41 -3,-1.5 -1,-0.2 142,-0.3 243,-0.1 -0.959 63.0-140.2-115.2 108.8 5.2 14.7 20.0 12 4 E R >>> - 0 0 0 -2,-0.7 3,-1.8 1,-0.1 5,-1.6 -0.663 7.1-134.5 -77.2 124.3 3.3 12.7 17.4 13 5 E P T 345S+ 0 0 13 0, 0.0 -1,-0.1 0, 0.0 136,-0.1 0.852 103.9 38.3 -44.1 -45.0 1.8 14.6 14.5 14 6 E L T 345S+ 0 0 30 135,-0.5 33,-0.1 32,-0.3 135,-0.0 0.453 128.3 24.2 -92.0 -5.9 -1.6 12.7 14.7 15 7 E F T <4>S+ 0 0 15 -3,-1.8 5,-4.9 31,-0.1 3,-0.1 0.661 124.0 28.3-123.9 -62.0 -2.0 12.5 18.5 16 8 E E T ><5S+ 0 0 26 -4,-0.7 3,-1.3 1,-0.2 -2,-0.1 0.912 118.5 53.9 -73.1 -46.3 -0.2 14.9 20.8 17 9 E K T 3 - 0 0 0 -2,-0.3 3,-1.0 1,-0.1 4,-0.3 -0.107 38.2 -99.9 -77.6 166.5 -4.3 6.8 21.4 23 14AE K T 3 S+ 0 0 179 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.570 116.4 27.1 -71.2 -6.6 -6.7 4.0 22.5 24 14BE T T >> S+ 0 0 17 2,-0.1 3,-0.5 1,-0.0 4,-0.5 0.237 83.5 105.7-135.6 7.2 -4.4 2.7 25.2 25 14CE E H <> + 0 0 5 -3,-1.0 4,-0.6 1,-0.2 3,-0.4 0.672 68.9 71.4 -74.0 -15.0 -2.2 5.5 26.4 26 14DE R H >> S+ 0 0 86 -4,-0.3 3,-1.3 1,-0.2 4,-0.5 0.876 88.5 65.2 -65.4 -37.8 -4.1 6.0 29.7 27 14EE E H X4 S+ 0 0 6 -3,-0.5 3,-1.4 1,-0.3 144,-0.3 0.843 99.9 49.0 -44.7 -54.4 -2.6 2.7 30.9 28 14FE L H 3< S+ 0 0 21 -4,-0.5 -1,-0.3 -3,-0.4 -2,-0.2 0.742 105.5 67.0 -56.0 -26.5 0.9 4.2 30.7 29 14GE L H << S+ 0 0 67 -3,-1.3 -1,-0.3 -4,-0.6 -2,-0.2 0.562 76.5 90.5 -78.1 -9.0 -0.7 7.0 32.7 30 14HE E << - 0 0 55 -3,-1.4 3,-0.1 -4,-0.5 141,-0.0 0.053 59.9-155.0 -69.1-169.5 -1.6 5.2 36.0 31 14IE S S S+ 0 0 71 1,-0.3 -1,-0.1 139,-0.1 2,-0.1 0.441 87.0 56.2-128.4 -39.5 1.2 5.4 38.7 32 14JE Y S S- 0 0 184 1,-0.1 -1,-0.3 2,-0.1 137,-0.1 -0.431 72.3-164.6 -80.4 159.4 -0.2 2.2 40.3 33 14KE I + 0 0 24 -2,-0.1 -1,-0.1 -3,-0.1 -3,-0.1 0.707 46.3 115.9-116.2 -41.7 -0.4 -0.8 37.9 34 14LE D S S+ 0 0 144 1,-0.1 2,-0.4 3,-0.0 -2,-0.1 -0.091 77.4 29.4 -36.1 109.3 -2.6 -3.6 39.4 35 14ME G S S+ 0 0 47 1,-0.1 -1,-0.1 0, 0.0 -2,-0.0 -0.993 84.7 65.7 140.8-142.8 -5.3 -3.6 36.8 36 15 E R + 0 0 173 -2,-0.4 2,-0.7 1,-0.1 -1,-0.1 0.206 48.5 176.5 -34.8 105.2 -5.7 -2.9 33.1 37 16 E I - 0 0 49 -3,-0.0 196,-0.3 164,-0.0 2,-0.2 -0.739 20.6-157.1-107.7 76.3 -3.6 -5.7 31.6 38 17 E V - 0 0 22 -2,-0.7 162,-0.4 162,-0.1 -14,-0.0 -0.414 9.3-128.6 -62.4 140.5 -4.3 -5.0 27.9 39 18 E E - 0 0 72 -2,-0.2 2,-0.4 195,-0.1 161,-0.3 0.202 42.8 -82.9 -62.8-162.8 -3.9 -7.7 25.3 40 19 E G + 0 0 21 159,-0.1 158,-0.2 194,-0.0 159,-0.2 -0.410 56.5 178.7-119.0 64.9 -1.7 -6.9 22.2 41 20 E S - 0 0 47 -2,-0.4 157,-2.4 156,-0.1 2,-0.2 0.292 37.7 -84.6 -50.3 170.2 -3.9 -5.1 19.7 42 21 E D B -A 197 0A 95 155,-0.2 155,-0.3 1,-0.1 -1,-0.1 -0.656 52.4-102.3 -76.7 146.5 -2.9 -3.7 16.3 43 22 E A - 0 0 7 153,-3.0 2,-0.3 -2,-0.2 -1,-0.1 -0.141 30.8-117.4 -74.8 157.2 -1.3 -0.2 16.3 44 23 E E > - 0 0 69 1,-0.1 3,-1.9 153,-0.0 4,-0.3 -0.683 44.3 -86.6 -85.5 154.9 -3.3 2.8 15.2 45 24 E I T 3 S+ 0 0 97 1,-0.3 -1,-0.1 -2,-0.3 57,-0.1 -0.489 118.2 9.9 -65.1 138.7 -2.1 4.8 12.1 46 25 E G T 3 S+ 0 0 10 104,-0.1 -32,-0.3 -2,-0.1 -1,-0.3 0.278 91.2 122.8 64.5 6.1 0.5 7.3 13.4 47 26 E M S < S+ 0 0 4 -3,-1.9 -2,-0.1 1,-0.3 -25,-0.1 0.648 84.5 23.0 -62.2 -23.7 0.7 5.7 17.0 48 27 E S > + 0 0 13 -4,-0.3 3,-1.7 102,-0.1 -1,-0.3 -0.452 67.0 168.0-148.9 78.9 4.4 5.1 16.8 49 28 E P T 3 S+ 0 0 0 0, 0.0 103,-0.9 0, 0.0 51,-0.1 0.564 75.4 59.9 -67.5 -24.7 6.2 7.3 14.2 50 29 E W T 3 S+ 0 0 2 101,-0.2 18,-2.3 103,-0.1 2,-0.3 0.460 76.1 125.3 -83.7 -11.4 9.7 6.5 15.3 51 30 E Q E < -I 67 0B 4 -3,-1.7 49,-0.8 16,-0.2 50,-0.3 -0.443 40.9-171.2 -57.7 127.6 9.2 2.8 14.4 52 31 E V E -I 66 0B 0 14,-2.9 14,-0.8 -2,-0.3 2,-0.4 -0.615 15.9-147.4-112.3 157.8 11.9 1.5 12.0 53 32 E M E -I 65 0B 0 45,-0.3 45,-1.7 -2,-0.2 2,-0.4 -0.965 12.7-143.1-131.6 123.3 12.2 -1.9 10.0 54 33 E L E -IJ 64 97B 1 10,-2.7 9,-1.4 -2,-0.4 10,-0.9 -0.789 25.5-160.5 -94.1 131.9 15.6 -3.3 9.4 55 34 E F E -IJ 62 96B 0 41,-2.5 41,-1.7 -2,-0.4 2,-0.6 -0.964 17.6-136.7-129.0 129.3 15.5 -4.9 5.9 56 35 E R E > -IJ 61 95B 68 5,-3.9 5,-1.2 -2,-0.4 39,-0.2 -0.809 13.4-148.0 -89.6 121.3 17.7 -7.4 4.4 57 36 E K E 5S+I 60 0B 37 37,-2.0 3,-0.4 -2,-0.6 -1,-0.1 0.821 78.1 37.8 -53.8 -46.2 18.4 -6.3 0.8 58 36AE S T 5S+ 0 0 93 1,-0.5 -1,-0.3 36,-0.4 2,-0.1 -0.882 120.9 25.7-163.4 128.7 18.7 -9.9 -0.4 59 37 E P T 5S- 0 0 78 0, 0.0 2,-0.7 0, 0.0 -1,-0.5 0.542 107.4-124.8 -66.2 140.1 17.3 -12.3 0.4 60 38 E Q E 5 +I 57 0B 67 -3,-0.4 2,-0.3 -2,-0.1 238,-0.2 -0.315 52.2 148.2 -62.5 105.5 14.7 -9.6 1.2 61 39 E E E < -I 56 0B 72 -5,-1.2 -5,-3.9 -2,-0.7 2,-1.0 -0.921 57.1-108.9-140.4 157.9 13.8 -10.1 4.8 62 40 E L E +I 55 0B 19 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.897 37.1 179.0 -81.5 103.3 12.7 -8.3 7.9 63 41 E L E - 0 0 17 -9,-1.4 2,-0.3 -2,-1.0 -8,-0.2 0.759 52.1 -43.8 -74.6 -45.2 15.9 -8.5 10.0 64 42 E b E -I 54 0B 2 -10,-0.9 -10,-2.7 176,-0.1 -1,-0.2 -0.949 57.8 -80.4-170.1-179.3 14.8 -6.5 13.2 65 43 E G E +I 53 0B 0 176,-3.2 12,-0.4 -2,-0.3 2,-0.3 -0.334 41.0 173.1 -92.2 164.7 13.1 -3.5 14.8 66 44 E A E -I 52 0B 0 -14,-0.8 -14,-2.9 10,-0.1 2,-0.4 -0.962 20.7-127.3-169.3 165.1 14.8 -0.1 15.2 67 45 E S E -IK 51 75B 0 8,-1.9 8,-2.2 -2,-0.3 2,-0.5 -0.981 13.1-126.4-137.8 146.8 13.8 3.4 16.3 68 46 E L E + K 0 74B 0 -18,-2.3 86,-2.4 -2,-0.4 6,-0.2 -0.838 35.4 157.9 -89.9 123.5 14.1 6.9 14.8 69 47 E I S S+ 0 0 5 4,-1.8 2,-0.2 -2,-0.5 5,-0.2 0.415 70.7 7.8-123.5 -12.6 15.8 9.4 17.2 70 48 E S S S- 0 0 4 3,-1.1 84,-0.1 -68,-0.1 -68,-0.1 -0.651 85.3 -98.7-149.7-162.5 17.0 12.1 14.7 71 49 E D S S+ 0 0 38 -2,-0.2 74,-2.1 -3,-0.1 72,-0.1 0.437 126.0 30.1-107.9 -7.0 16.3 12.6 10.9 72 50 E R S S+ 0 0 85 72,-0.2 69,-3.3 1,-0.1 2,-0.4 0.343 110.8 72.5-125.9 -6.7 19.7 11.0 10.3 73 51 E W E - L 0 140B 1 67,-0.3 -4,-1.8 65,-0.0 -3,-1.1 -0.958 50.0-170.7-126.2 134.6 20.2 8.5 13.2 74 52 E V E -KL 68 139B 0 65,-3.3 65,-3.4 -2,-0.4 2,-0.4 -0.972 11.4-148.2-126.1 140.7 18.6 5.2 14.1 75 53 E L E +KL 67 138B 0 -8,-2.2 -8,-1.9 -2,-0.4 2,-0.2 -0.900 28.9 150.2-105.8 127.0 19.0 3.2 17.2 76 54 E T E - L 0 137B 0 61,-2.2 61,-1.7 -2,-0.4 2,-0.4 -0.769 51.2 -77.9-141.9-176.1 18.8 -0.7 17.3 77 55 E A > - 0 0 0 -12,-0.4 3,-1.6 -2,-0.2 4,-0.3 -0.783 35.5-135.9 -88.0 129.6 20.2 -3.8 19.2 78 56 E A G >> S+ 0 0 0 -2,-0.4 4,-1.9 1,-0.3 3,-1.6 0.807 102.0 67.5 -53.0 -29.6 23.8 -4.5 18.3 79 57 E H G 34 S+ 0 0 16 1,-0.3 -1,-0.3 2,-0.2 9,-0.1 0.646 85.3 71.9 -66.6 -15.8 22.9 -8.3 18.0 80 58 E b G <4 S+ 0 0 0 -3,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.755 115.1 21.3 -69.8 -28.5 20.7 -7.5 15.0 81 59 E L T <4 S+ 0 0 2 -3,-1.6 9,-3.1 -4,-0.3 2,-0.4 0.573 128.1 40.4-108.4 -32.1 23.9 -6.9 13.0 82 60 E L E < +O 89 0C 40 -4,-1.9 7,-0.2 7,-0.2 -1,-0.2 -0.936 54.7 136.7-135.8 114.8 26.7 -8.8 14.8 83 60AE Y E > > -O 88 0C 51 5,-3.3 3,-2.6 -2,-0.4 5,-1.3 -0.523 26.6-167.8-156.4 81.7 26.4 -12.2 16.4 84 60BE P G > 5S+ 0 0 48 0, 0.0 3,-3.6 0, 0.0 -1,-0.1 0.771 83.1 62.0 -46.3 -50.1 29.3 -14.6 15.8 85 60CE P G 3 5S+ 0 0 72 0, 0.0 44,-0.0 0, 0.0 43,-0.0 0.563 113.8 37.6 -50.8 -23.1 27.7 -17.8 17.1 86 60DE W G < 5S- 0 0 166 -3,-2.6 3,-0.1 2,-0.1 0, 0.0 0.102 114.0-114.3-115.3 12.2 25.0 -17.4 14.4 87 60EE D T < 5 + 0 0 149 -3,-3.6 2,-0.5 1,-0.2 0, 0.0 0.392 63.3 154.9 66.3 9.4 27.4 -16.2 11.7 88 60FE K E < +O 83 0C 39 -5,-1.3 -5,-3.3 -9,-0.1 -1,-0.2 -0.504 1.0 145.0 -69.1 112.8 25.5 -12.8 11.8 89 60GE N E -O 82 0C 105 -2,-0.5 -7,-0.2 -7,-0.2 2,-0.2 -0.406 25.0-171.9-159.9 78.4 27.7 -10.0 10.6 90 60HE F - 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