==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE, BLOOD CLOTTING 26-APR-05 1ZHR . COMPND 2 MOLECULE: COAGULATION FACTOR XI; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR L.JIN,P.PANDEY,R.E.BABINE,D.T.WEAVER,S.S.ABDEL-MEGUID,J.E.ST . 238 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11785.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 151 63.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 73 30.7 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 . 25 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 13.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 10 4.2 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 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 . 3 3 2 5 1 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 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 16 A I 0 0 0 0, 0.0 3,-0.4 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 128.2 13.2 63.5 80.9 2 17 A V B +A 182 0A 23 180,-3.1 180,-1.6 1,-0.2 134,-0.1 -0.819 360.0 7.0 -99.6 136.1 12.5 62.9 77.2 3 18 A G S S+ 0 0 42 -2,-0.4 -1,-0.2 132,-0.4 2,-0.1 0.675 101.8 122.0 72.0 18.6 14.7 60.5 75.3 4 19 A G - 0 0 12 -3,-0.4 2,-0.3 178,-0.1 144,-0.2 -0.238 51.6-129.7-101.0-169.3 16.6 59.4 78.3 5 20 A T E -B 147 0B 84 142,-2.2 142,-2.2 -3,-0.1 2,-0.1 -0.896 37.4 -75.0-137.6 166.9 17.3 56.0 80.0 6 21 A A E -B 146 0B 56 -2,-0.3 140,-0.2 140,-0.2 2,-0.1 -0.379 50.0-127.6 -65.2 137.5 17.1 54.6 83.6 7 22 A S - 0 0 9 138,-2.6 2,-0.3 55,-0.1 -1,-0.1 -0.420 20.5-107.9 -83.1 161.3 19.8 55.7 85.9 8 23 A V > - 0 0 96 -2,-0.1 3,-2.4 1,-0.1 4,-0.3 -0.701 49.2 -92.2 -85.6 139.7 22.1 53.4 87.9 9 24 A R T 3 S+ 0 0 136 -2,-0.3 -1,-0.1 1,-0.3 53,-0.1 -0.295 112.2 9.3 -54.6 131.6 21.2 53.5 91.6 10 25 A G T 3 S+ 0 0 39 98,-0.2 -1,-0.3 2,-0.1 52,-0.0 0.492 90.7 122.4 76.7 3.5 23.5 56.1 93.3 11 26 A E S < S+ 0 0 64 -3,-2.4 -2,-0.1 1,-0.3 3,-0.1 0.779 83.5 31.2 -66.9 -29.4 24.8 57.4 90.0 12 27 A W S > S+ 0 0 12 -4,-0.3 3,-2.0 1,-0.1 -1,-0.3 -0.600 73.3 170.4-129.2 68.3 23.5 61.0 90.8 13 28 A P T 3 S+ 0 0 13 0, 0.0 97,-0.8 0, 0.0 47,-0.3 0.596 74.3 58.6 -57.4 -14.9 23.9 61.1 94.6 14 29 A W T 3 S+ 0 0 2 95,-0.2 19,-2.3 97,-0.1 2,-0.3 0.633 83.0 103.1 -90.1 -14.8 23.2 64.8 94.7 15 30 A Q E < -J 32 0C 5 -3,-2.0 45,-0.5 17,-0.2 46,-0.4 -0.498 50.1-178.8 -71.9 129.3 19.8 64.5 93.1 16 31 A V E -J 31 0C 1 15,-2.3 15,-1.0 -2,-0.3 2,-0.5 -0.863 24.8-132.2-124.3 160.6 16.8 64.7 95.4 17 32 A T E -JK 30 58C 0 41,-2.0 41,-2.4 -2,-0.3 2,-0.6 -0.975 19.1-151.6-114.0 122.2 13.1 64.5 94.8 18 33 A L E -JK 29 57C 2 11,-3.2 10,-3.4 -2,-0.5 11,-1.7 -0.855 16.4-168.2 -96.1 120.5 11.1 67.2 96.5 19 34 A H E -JK 27 56C 7 37,-3.3 37,-2.1 -2,-0.6 2,-0.4 -0.746 14.7-148.8-108.1 156.6 7.6 66.2 97.4 20 35 A T E -JK 26 55C 6 6,-2.2 6,-2.0 -2,-0.3 35,-0.2 -0.921 5.3-154.0-116.8 146.7 4.6 68.2 98.5 21 36 A T + 0 0 42 33,-2.1 4,-0.2 -2,-0.4 34,-0.1 0.444 51.8 129.7 -99.6 -1.2 2.1 66.6 100.9 22 37 A S S S- 0 0 65 32,-0.3 2,-0.2 4,-0.1 4,-0.1 -0.904 84.6 -10.9-112.1 129.3 -0.8 68.8 99.8 23 37AA P S S- 0 0 117 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.872 144.4 -22.6 -73.7 -38.4 -3.4 67.7 99.0 24 37BA T S S- 0 0 105 -2,-0.2 -4,-0.1 -4,-0.1 -2,-0.1 -0.891 90.5 -75.7-126.7 159.6 -1.9 64.2 99.0 25 37CA Q + 0 0 70 -2,-0.3 2,-0.3 -4,-0.2 -4,-0.2 -0.284 62.3 145.5 -65.3 136.7 1.8 63.4 98.7 26 37DA R E -J 20 0C 130 -6,-2.0 -6,-2.2 -4,-0.1 2,-0.2 -0.980 53.4 -85.1-163.2 155.4 3.4 63.6 95.2 27 38 A H E +J 19 0C 7 -2,-0.3 -8,-0.3 -8,-0.2 3,-0.1 -0.453 41.3 173.3 -64.9 135.0 6.7 64.5 93.6 28 39 A L E - 0 0 32 -10,-3.4 2,-0.3 1,-0.4 -9,-0.2 0.777 54.7 -24.2-110.1 -50.9 6.9 68.3 92.9 29 40 A a E -J 18 0C 6 -11,-1.7 -11,-3.2 158,-0.1 -1,-0.4 -0.954 56.6-105.1-157.0 171.9 10.4 69.0 91.7 30 41 A G E +J 17 0C 1 158,-2.9 12,-0.4 -2,-0.3 2,-0.3 -0.434 36.3 173.9 -95.2 176.1 14.0 67.9 91.5 31 42 A G E -J 16 0C 1 -15,-1.0 -15,-2.3 -2,-0.2 2,-0.4 -0.961 23.7-119.4-170.9 170.7 16.8 69.5 93.5 32 43 A S E -JL 15 40C 1 8,-2.2 8,-2.9 -2,-0.3 2,-0.5 -0.985 18.7-125.9-130.7 137.1 20.5 69.1 94.3 33 44 A I E + L 0 39C 1 -19,-2.3 79,-2.3 -2,-0.4 6,-0.2 -0.679 39.0 158.0 -77.4 121.4 22.3 68.6 97.5 34 45 A I E + 0 0 29 4,-2.4 2,-0.3 -2,-0.5 5,-0.2 0.473 65.7 12.5-121.3 -7.5 25.0 71.3 97.8 35 46 A G E > S- L 0 38C 16 3,-1.4 3,-1.2 75,-0.0 -1,-0.4 -0.963 86.9 -93.5-159.5 165.2 25.5 71.4 101.5 36 47 A N T 3 S+ 0 0 77 -2,-0.3 67,-3.4 1,-0.3 65,-0.1 0.730 128.1 21.0 -60.6 -21.6 24.7 69.3 104.6 37 48 A Q T 3 S+ 0 0 53 65,-0.2 62,-2.6 63,-0.0 2,-0.4 0.152 113.1 90.7-129.9 17.0 21.6 71.4 105.2 38 51 A W E < -LM 35 98C 35 -3,-1.2 -4,-2.4 60,-0.2 -3,-1.4 -0.955 43.4-176.7-130.8 130.5 21.1 72.9 101.7 39 52 A I E -LM 33 97C 3 58,-2.0 58,-2.4 -2,-0.4 2,-0.5 -0.957 17.4-149.8-115.5 130.9 19.2 71.9 98.6 40 53 A L E +LM 32 96C 0 -8,-2.9 -8,-2.2 -2,-0.4 2,-0.2 -0.895 36.0 141.6-101.7 129.9 19.5 74.1 95.5 41 54 A T E - M 0 95C 0 54,-2.8 54,-2.2 -2,-0.5 2,-0.4 -0.740 50.4 -62.9-148.4-166.4 16.4 74.1 93.2 42 55 A A > - 0 0 0 -12,-0.4 3,-1.4 52,-0.3 52,-0.2 -0.780 29.0-143.0 -97.4 136.0 14.2 76.2 91.0 43 56 A A G > S+ 0 0 2 -2,-0.4 3,-1.8 1,-0.3 -1,-0.1 0.835 98.2 64.1 -61.9 -35.7 12.2 79.2 92.4 44 57 A H G > S+ 0 0 46 1,-0.3 3,-1.1 2,-0.1 -1,-0.3 0.633 83.8 78.5 -68.2 -9.4 9.2 78.5 90.2 45 58 A a G < S+ 0 0 7 -3,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.670 87.1 60.7 -69.9 -15.9 8.7 75.1 91.9 46 59 A F G X + 0 0 14 -3,-1.8 3,-2.1 -4,-0.2 -1,-0.2 0.142 66.4 140.0-102.7 23.1 7.1 77.0 94.8 47 59AA Y T < S+ 0 0 215 -3,-1.1 3,-0.1 1,-0.3 -3,-0.0 -0.478 81.8 8.8 -64.3 128.1 4.2 78.6 93.0 48 59BA G T 3 S+ 0 0 61 1,-0.2 2,-0.8 -2,-0.2 -1,-0.3 0.564 95.5 131.5 78.1 7.0 1.2 78.3 95.4 49 59CA V < + 0 0 27 -3,-2.1 -1,-0.2 1,-0.2 -3,-0.0 -0.851 25.1 170.3 -97.9 109.3 3.4 77.1 98.3 50 60 A E + 0 0 188 -2,-0.8 -1,-0.2 1,-0.2 -2,-0.0 0.675 64.5 29.4 -90.8 -21.7 2.5 79.2 101.4 51 61 A S > - 0 0 35 1,-0.1 3,-0.9 27,-0.0 -1,-0.2 -0.996 60.3-139.7-144.1 147.7 4.5 77.1 103.9 52 62 A P G > S+ 0 0 35 0, 0.0 3,-1.8 0, 0.0 24,-0.5 0.622 92.4 86.1 -76.3 -13.3 7.6 74.9 104.0 53 63 A K G 3 S+ 0 0 179 1,-0.3 24,-0.0 22,-0.1 -33,-0.0 0.710 84.1 53.4 -61.5 -22.8 5.6 72.6 106.3 54 64 A I G < S+ 0 0 46 -3,-0.9 -33,-2.1 -34,-0.0 -32,-0.3 0.399 92.6 96.7 -94.0 3.6 4.1 70.7 103.3 55 65 A L E < -K 20 0C 4 -3,-1.8 21,-0.6 -35,-0.2 2,-0.4 -0.699 47.7-176.9 -97.3 146.5 7.5 70.0 101.8 56 66 A R E -KN 19 75C 65 -37,-2.1 -37,-3.3 -2,-0.3 2,-0.5 -0.993 11.7-154.0-140.5 129.8 9.5 66.8 102.1 57 67 A V E -KN 18 74C 0 17,-2.5 17,-2.8 -2,-0.4 2,-0.5 -0.929 9.0-165.5-109.0 124.0 13.0 66.2 100.6 58 68 A Y E -K 17 0C 1 -41,-2.4 -41,-2.0 -2,-0.5 3,-0.3 -0.939 6.6-171.7-111.6 126.2 14.0 62.6 99.9 59 69 A S + 0 0 18 -2,-0.5 -43,-0.1 -43,-0.2 50,-0.1 -0.698 62.5 33.4-110.5 164.5 17.6 61.8 99.2 60 70 A G S S+ 0 0 22 -45,-0.5 2,-0.4 48,-0.4 -1,-0.2 0.817 83.2 146.5 62.2 33.8 19.2 58.6 98.0 61 71 A I + 0 0 21 -46,-0.4 -1,-0.2 -3,-0.3 3,-0.1 -0.840 25.9 162.3-107.6 138.5 16.3 57.7 95.8 62 72 A L S S+ 0 0 20 -2,-0.4 83,-2.1 1,-0.4 2,-0.4 0.706 75.3 34.8-110.5 -55.8 16.2 55.8 92.5 63 73 A N B > -P 144 0D 35 81,-0.2 3,-2.2 1,-0.1 -1,-0.4 -0.852 68.9-139.7-106.1 134.8 12.6 54.7 92.2 64 74 A Q G > S+ 0 0 30 79,-2.5 3,-2.0 -2,-0.4 -1,-0.1 0.803 102.9 72.6 -58.7 -26.6 9.7 56.8 93.5 65 75 A A G 3 S+ 0 0 78 1,-0.3 -1,-0.3 78,-0.1 79,-0.1 0.708 82.9 68.5 -61.0 -20.3 8.3 53.4 94.6 66 76 A E G < S+ 0 0 55 -3,-2.2 2,-0.7 1,-0.1 -1,-0.3 0.731 83.6 87.5 -70.1 -22.2 11.0 53.4 97.4 67 77 A I < + 0 0 24 -3,-2.0 2,-0.2 -4,-0.3 -1,-0.1 -0.721 55.0 151.6 -87.3 112.1 9.1 56.3 99.0 68 78 A A > - 0 0 46 -2,-0.7 3,-2.1 4,-0.1 -2,-0.0 -0.744 63.2 -89.0-127.2 176.2 6.4 55.1 101.3 69 79 A E T 3 S+ 0 0 193 1,-0.3 -2,-0.0 -2,-0.2 -1,-0.0 0.784 128.3 51.7 -60.3 -23.9 4.7 56.5 104.4 70 80 A D T 3 S+ 0 0 145 2,-0.1 2,-0.4 0, 0.0 -1,-0.3 0.338 84.7 111.9 -95.4 8.1 7.5 54.9 106.5 71 81 A T S < S- 0 0 31 -3,-2.1 2,-0.1 1,-0.1 -4,-0.1 -0.655 70.4-119.5 -84.5 134.6 10.4 56.3 104.5 72 81AA S + 0 0 109 -2,-0.4 2,-0.3 1,-0.0 -1,-0.1 -0.368 38.9 172.0 -70.7 151.3 12.6 58.9 106.2 73 82 A F - 0 0 77 -15,-0.1 2,-0.5 -2,-0.1 -15,-0.2 -0.923 33.5-104.1-150.7 172.5 12.8 62.4 104.7 74 83 A F E -N 57 0C 28 -17,-2.8 -17,-2.5 -2,-0.3 2,-0.1 -0.911 30.4-139.4-107.7 128.2 14.2 65.8 105.4 75 84 A G E -N 56 0C 8 -2,-0.5 25,-2.3 -19,-0.2 2,-0.5 -0.428 19.3-120.5 -78.7 161.5 11.8 68.5 106.5 76 85 A V E -O 99 0C 3 -21,-0.6 23,-0.2 -24,-0.5 -21,-0.2 -0.926 25.3-178.6-108.8 124.0 12.2 72.0 105.1 77 86 A Q E S+ 0 0 95 21,-3.0 2,-0.3 -2,-0.5 22,-0.2 0.794 71.0 7.2 -88.2 -32.9 12.8 74.8 107.6 78 87 A E E -O 98 0C 86 20,-1.5 20,-2.6 -26,-0.1 2,-0.5 -0.992 54.9-147.5-155.2 143.1 13.0 77.7 105.1 79 88 A I E -O 97 0C 38 -2,-0.3 2,-0.6 18,-0.2 18,-0.2 -0.957 18.7-165.1-109.0 120.9 12.4 78.4 101.4 80 89 A I E -O 96 0C 16 16,-3.2 16,-2.6 -2,-0.5 2,-0.4 -0.920 6.0-173.2-113.1 109.3 14.7 81.1 100.1 81 90 A I E -O 95 0C 67 -2,-0.6 14,-0.2 14,-0.2 12,-0.1 -0.831 37.5-100.4-101.6 136.6 13.7 82.5 96.7 82 91 A H > - 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