==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 18-MAY-05 1ZPZ . COMPND 2 MOLECULE: COAGULATION FACTOR XI; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.LIN,H.DENG,L.JIN,P.PRANDEY,M.J.RYNKIEWICZ,F.BIBBINS, . 233 2 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11265.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 146 62.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 74 31.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 3 1.3 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 . 23 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 13 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 0 1 1 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 . 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 0 PARALLEL BRIDGES PER LADDER . 3 3 2 4 2 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 . 0 0 0 0 0 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 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 16 A I 0 0 2 0, 0.0 2,-0.4 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 124.6 2.3 11.8 3.1 2 17 A V B +A 179 0A 20 177,-3.1 177,-1.1 1,-0.2 131,-0.1 -0.863 360.0 0.4-104.7 133.1 3.2 8.8 5.3 3 18 A G S S+ 0 0 42 -2,-0.4 -1,-0.2 129,-0.3 2,-0.1 0.745 100.5 121.7 67.0 26.6 3.5 5.3 3.8 4 19 A G - 0 0 23 -3,-0.3 2,-0.3 141,-0.1 141,-0.2 -0.215 55.4-116.1-105.2-162.4 2.8 6.2 0.2 5 20 A T E -B 144 0B 83 139,-2.3 139,-2.0 -3,-0.1 2,-0.1 -0.947 35.2 -88.8-136.4 156.2 4.5 6.0 -3.1 6 21 A A E -B 143 0B 55 -2,-0.3 137,-0.2 137,-0.2 136,-0.1 -0.404 45.9-129.2 -65.3 137.0 5.9 8.5 -5.6 7 22 A S - 0 0 9 135,-2.9 2,-0.3 55,-0.2 -1,-0.1 -0.279 19.0-108.7 -81.3 171.7 3.3 9.6 -8.2 8 23 A V > - 0 0 96 1,-0.1 3,-2.5 -2,-0.1 4,-0.4 -0.706 48.1 -82.8 -97.7 153.6 3.7 9.6 -11.9 9 24 A R T 3 S+ 0 0 136 -2,-0.3 53,-0.1 1,-0.3 -1,-0.1 -0.399 118.8 5.8 -60.0 116.3 4.1 12.8 -13.8 10 25 A G T 3 S+ 0 0 33 -2,-0.3 -1,-0.3 51,-0.2 4,-0.1 0.518 88.9 127.0 88.2 6.4 0.5 14.0 -14.4 11 26 A E S < S+ 0 0 66 -3,-2.5 -2,-0.1 1,-0.3 51,-0.0 0.800 82.4 33.3 -64.8 -29.8 -1.1 11.3 -12.3 12 27 A W S > S+ 0 0 15 -4,-0.4 3,-1.4 1,-0.1 -1,-0.3 -0.629 73.0 177.7-130.1 73.3 -3.0 13.9 -10.2 13 28 A P T 3 S+ 0 0 15 0, 0.0 97,-0.5 0, 0.0 47,-0.3 0.667 77.8 52.0 -46.2 -32.7 -3.7 16.8 -12.7 14 29 A W T 3 S+ 0 0 2 95,-0.2 19,-1.9 97,-0.1 98,-0.1 0.762 84.9 103.7 -83.4 -24.6 -5.7 18.9 -10.2 15 30 A Q E < +I 32 0C 3 -3,-1.4 45,-0.6 17,-0.2 46,-0.4 -0.357 46.9 174.7 -63.6 131.8 -3.0 18.9 -7.5 16 31 A V E -IJ 31 59C 0 15,-2.0 15,-0.8 43,-0.2 2,-0.5 -0.908 28.5-125.3-134.6 160.9 -1.0 22.1 -7.1 17 32 A T E -IJ 30 58C 0 41,-2.4 41,-1.7 -2,-0.3 2,-0.5 -0.944 19.6-152.0-113.4 119.7 1.7 23.4 -4.8 18 33 A L E -IJ 29 57C 3 11,-2.6 10,-3.4 -2,-0.5 11,-1.3 -0.784 14.6-167.7 -92.6 126.0 1.1 26.7 -3.0 19 34 A H E -IJ 27 56C 8 37,-3.0 37,-2.2 -2,-0.5 2,-0.4 -0.809 11.3-150.8-112.9 155.1 4.2 28.7 -2.0 20 35 A T E -IJ 26 55C 8 6,-1.6 6,-1.0 -2,-0.3 35,-0.2 -0.956 5.3-155.5-120.6 140.8 4.6 31.7 0.2 21 36 A T + 0 0 45 33,-1.5 4,-0.2 -2,-0.4 34,-0.1 0.618 52.7 125.2 -91.0 -12.2 7.4 34.3 -0.3 22 37 A S S S- 0 0 75 1,-0.2 2,-0.1 32,-0.2 4,-0.0 -0.844 90.8 -12.0-105.6 128.4 7.5 35.5 3.3 23 37AA P S S- 0 0 127 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.943 144.0 -24.1 -76.0 -27.6 10.0 35.4 4.8 24 37BA T S S- 0 0 106 -4,-0.1 -4,-0.2 -2,-0.1 -2,-0.1 -0.969 82.7 -80.2-141.3 155.0 11.5 33.3 2.0 25 37CA Q + 0 0 55 -2,-0.3 2,-0.3 -4,-0.2 -4,-0.2 -0.207 60.0 138.3 -61.0 143.3 9.9 31.0 -0.5 26 37DA R E -I 20 0C 133 -6,-1.0 -6,-1.6 -4,-0.0 -4,-0.1 -0.934 59.6 -72.9-176.2 154.9 8.8 27.5 0.4 27 38 A H E +I 19 0C 11 -2,-0.3 -8,-0.2 -8,-0.2 3,-0.1 -0.317 47.2 174.9 -54.3 138.0 6.0 25.0 -0.1 28 39 A L E - 0 0 28 -10,-3.4 2,-0.3 1,-0.4 -9,-0.2 0.749 51.4 -28.0-113.2 -53.5 3.1 26.2 2.0 29 40 A a E -I 18 0C 6 -11,-1.3 -11,-2.6 155,-0.1 -1,-0.4 -0.952 58.6 -97.8-157.4 173.1 0.1 23.9 1.3 30 41 A G E -I 17 0C 1 155,-4.5 12,-0.3 -2,-0.3 2,-0.3 -0.373 39.4-178.6 -90.2 175.8 -1.5 21.6 -1.2 31 42 A G E -I 16 0C 0 -15,-0.8 -15,-2.0 -2,-0.1 2,-0.4 -0.978 20.7-130.0-169.6 162.2 -4.4 22.7 -3.4 32 43 A S E -IK 15 40C 2 8,-2.4 8,-3.1 -2,-0.3 2,-0.3 -0.985 16.4-134.4-128.9 130.8 -6.9 21.6 -6.1 33 44 A I E + K 0 39C 2 -19,-1.9 79,-1.6 -2,-0.4 6,-0.2 -0.626 33.8 159.2 -77.0 136.5 -7.7 23.2 -9.4 34 45 A I E + 0 0 32 4,-2.4 2,-0.3 1,-0.4 5,-0.1 0.252 62.5 10.4-140.5 6.6 -11.5 23.2 -9.9 35 46 A G E > S- K 0 38C 14 3,-0.8 3,-1.4 1,-0.1 -1,-0.4 -0.959 89.0 -81.1-176.3 162.7 -11.8 26.0 -12.5 36 47 A N T 3 S+ 0 0 80 1,-0.3 67,-1.5 -2,-0.3 -1,-0.1 0.844 130.0 9.0 -39.5 -48.3 -10.0 28.2 -15.0 37 48 A Q T 3 S+ 0 0 48 65,-0.2 62,-2.1 -3,-0.1 2,-0.5 0.032 109.3 102.7-125.9 26.4 -9.1 30.6 -12.1 38 51 A W E < -KL 35 98C 31 -3,-1.4 -4,-2.4 60,-0.2 -3,-0.8 -0.932 39.1-179.0-124.0 121.6 -10.2 28.7 -9.0 39 52 A I E -KL 33 97C 2 58,-2.5 58,-2.3 -2,-0.5 2,-0.4 -0.926 15.0-152.9-110.7 130.7 -8.0 26.8 -6.5 40 53 A L E +KL 32 96C 1 -8,-3.1 -8,-2.4 -2,-0.5 2,-0.3 -0.840 31.3 135.0-104.6 143.3 -9.6 25.1 -3.6 41 54 A T E - L 0 95C 0 54,-2.2 54,-3.0 -2,-0.4 2,-0.2 -0.941 53.2 -61.0-166.2-176.4 -7.7 24.5 -0.3 42 55 A A > - 0 0 0 -12,-0.3 3,-0.9 -2,-0.3 52,-0.3 -0.585 32.6-139.4 -84.7 145.5 -7.9 24.7 3.4 43 56 A A G > S+ 0 0 1 -2,-0.2 3,-2.4 1,-0.2 -1,-0.1 0.877 98.3 67.0 -70.2 -37.2 -8.5 28.0 5.2 44 57 A H G > S+ 0 0 43 1,-0.3 3,-1.3 2,-0.1 -1,-0.2 0.664 83.2 79.8 -60.6 -11.8 -6.0 27.4 8.0 45 58 A a G < S+ 0 0 8 -3,-0.9 -1,-0.3 1,-0.3 -2,-0.2 0.631 88.9 54.3 -70.7 -10.9 -3.3 27.6 5.3 46 59 A F G X + 0 0 12 -3,-2.4 3,-1.9 -4,-0.1 -1,-0.3 0.073 69.4 147.8-115.6 33.4 -3.5 31.3 5.4 47 59AA Y T < S- 0 0 216 -3,-1.3 3,-0.1 1,-0.3 -3,-0.0 -0.421 83.5 -0.9 -60.5 132.6 -2.9 31.9 9.1 48 59BA G T 3 S+ 0 0 72 1,-0.2 2,-0.7 -2,-0.1 -1,-0.3 0.735 93.9 139.7 55.3 26.9 -1.0 35.2 9.3 49 59CA V < + 0 0 26 -3,-1.9 -1,-0.2 1,-0.2 -3,-0.0 -0.906 25.4 178.5-102.3 108.4 -1.0 35.7 5.5 50 60 A E + 0 0 180 -2,-0.7 -1,-0.2 1,-0.2 -2,-0.1 0.959 59.8 32.0 -78.4 -54.5 -1.7 39.4 4.9 51 61 A S > - 0 0 48 1,-0.1 3,-2.0 27,-0.0 4,-0.3 -0.877 63.6-139.6-112.6 139.3 -1.5 39.9 1.2 52 62 A P G > S+ 0 0 36 0, 0.0 3,-1.5 0, 0.0 24,-0.5 0.698 98.3 81.6 -63.4 -14.2 -2.5 37.4 -1.6 53 63 A K G 3 S+ 0 0 157 1,-0.3 24,-0.0 22,-0.1 25,-0.0 0.643 81.2 59.4 -65.9 -18.0 0.7 38.9 -3.2 54 64 A I G < S+ 0 0 34 -3,-2.0 -33,-1.5 -34,-0.1 2,-0.4 0.585 90.4 92.0 -87.5 -7.4 2.9 36.6 -1.2 55 65 A L E < -J 20 0C 7 -3,-1.5 21,-0.8 -4,-0.3 2,-0.4 -0.689 51.9-177.3 -91.7 136.2 1.2 33.5 -2.6 56 66 A R E -JM 19 75C 55 -37,-2.2 -37,-3.0 -2,-0.4 2,-0.5 -0.998 12.3-151.8-131.4 127.2 2.4 31.8 -5.8 57 67 A V E -JM 18 74C 1 17,-2.2 17,-3.1 -2,-0.4 2,-0.5 -0.873 8.4-169.8-105.8 131.1 0.6 28.8 -7.3 58 68 A Y E -J 17 0C 4 -41,-1.7 -41,-2.4 -2,-0.5 3,-0.3 -0.971 7.4-176.4-121.4 119.2 2.3 26.1 -9.3 59 69 A S E +J 16 0C 17 -2,-0.5 -43,-0.2 -43,-0.2 50,-0.1 -0.643 62.7 36.6-108.1 168.5 0.3 23.5 -11.3 60 70 A G S S+ 0 0 18 -45,-0.6 2,-0.3 48,-0.4 -1,-0.2 0.733 83.2 151.4 63.8 23.1 1.4 20.5 -13.2 61 71 A I + 0 0 20 -46,-0.4 -1,-0.2 -3,-0.3 -51,-0.2 -0.656 24.9 161.2 -91.6 144.1 4.2 19.9 -10.7 62 72 A L S S+ 0 0 18 1,-0.4 80,-3.1 -2,-0.3 2,-0.4 0.606 74.9 31.8-119.9 -47.7 5.6 16.5 -9.9 63 73 A N B > -O 141 0D 33 78,-0.2 3,-1.8 1,-0.1 -1,-0.4 -0.946 69.2-138.5-119.0 136.4 8.9 17.5 -8.2 64 74 A Q G > S+ 0 0 26 76,-2.4 3,-3.4 -2,-0.4 -1,-0.1 0.868 101.7 71.3 -58.6 -35.7 9.5 20.6 -6.2 65 75 A S G 3 S+ 0 0 88 1,-0.3 -1,-0.3 75,-0.1 76,-0.1 0.425 79.6 76.0 -63.5 6.4 12.9 21.0 -7.9 66 76 A E G < S+ 0 0 60 -3,-1.8 2,-0.6 74,-0.2 -1,-0.3 0.704 85.8 79.3 -83.3 -20.4 10.8 21.9 -10.9 67 77 A I < + 0 0 24 -3,-3.4 2,-0.2 -4,-0.2 -1,-0.1 -0.789 56.3 148.6 -95.7 115.5 10.4 25.2 -9.1 68 78 A A > - 0 0 46 -2,-0.6 3,-1.9 4,-0.1 -2,-0.0 -0.762 65.3 -87.1-131.8 176.1 13.3 27.7 -9.1 69 79 A E T 3 S+ 0 0 151 1,-0.3 -2,-0.0 -2,-0.2 -1,-0.0 0.831 129.4 52.9 -58.1 -30.1 13.4 31.5 -9.0 70 80 A D T 3 S+ 0 0 145 2,-0.0 2,-0.4 0, 0.0 -1,-0.3 0.071 86.6 117.0 -93.9 24.6 12.9 31.5 -12.8 71 81 A T < - 0 0 30 -3,-1.9 -4,-0.1 1,-0.1 -5,-0.0 -0.772 66.2-118.8 -97.7 136.5 9.9 29.3 -12.7 72 81AA S + 0 0 107 -2,-0.4 2,-0.3 -14,-0.0 -4,-0.1 -0.244 38.2 169.9 -66.3 158.3 6.4 30.4 -14.0 73 82 A F - 0 0 76 -15,-0.1 2,-0.5 -17,-0.0 -15,-0.2 -0.967 36.4-103.6-166.3 155.0 3.5 30.5 -11.5 74 83 A F E -M 57 0C 30 -17,-3.1 -17,-2.2 -2,-0.3 2,-0.1 -0.752 35.3-132.0 -89.1 127.4 -0.0 31.7 -11.3 75 84 A G E -M 56 0C 9 -2,-0.5 25,-3.8 -19,-0.2 2,-0.8 -0.451 17.8-122.9 -75.1 151.5 -0.5 34.9 -9.2 76 85 A V E -N 99 0C 2 -21,-0.8 23,-0.3 -24,-0.5 -21,-0.2 -0.848 25.6-178.3-100.2 110.1 -3.3 34.9 -6.6 77 86 A Q E + 0 0 101 21,-2.0 2,-0.3 -2,-0.8 22,-0.2 0.878 68.8 9.6 -73.5 -38.4 -5.7 37.7 -7.2 78 87 A E E -N 98 0C 88 20,-1.8 20,-2.6 -26,-0.1 2,-0.6 -1.000 55.4-148.3-149.3 145.1 -7.9 37.0 -4.2 79 88 A I E -N 97 0C 40 -2,-0.3 2,-0.7 18,-0.2 18,-0.2 -0.926 19.7-169.3-112.8 107.4 -8.0 34.8 -1.1 80 89 A I E -N 96 0C 20 16,-3.4 16,-3.7 -2,-0.6 2,-0.3 -0.871 4.2-175.2-105.8 116.1 -11.5 33.9 -0.1 81 90 A I E -N 95 0C 67 -2,-0.7 14,-0.2 14,-0.2 2,-0.1 -0.819 37.3 -97.0-106.2 144.3 -12.0 32.3 3.3 82 91 A H > - 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