==== 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 10-MAY-05 1ZMJ . COMPND 2 MOLECULE: COAGULATION FACTOR XI; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR T.I.LAZAROVA,L.JIN,M.J.RYNKIEWICZ,J.C.GORGA,F.BIBBINS, . 237 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11752.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 152 64.1 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 . 72 30.4 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 . 28 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 11 4.6 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 . 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 2 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 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,-0.5 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 126.4 13.2 63.5 80.9 2 17 A V B +A 182 0A 20 180,-3.4 180,-1.6 1,-0.2 134,-0.1 -0.779 360.0 4.3 -96.2 137.5 12.5 63.0 77.2 3 18 A G S S+ 0 0 44 -2,-0.4 -1,-0.2 132,-0.3 2,-0.1 0.707 102.4 122.7 66.6 22.3 14.7 60.5 75.2 4 19 A G - 0 0 22 -3,-0.5 2,-0.3 178,-0.1 144,-0.2 -0.269 51.1-129.6-103.1-169.6 16.6 59.4 78.3 5 20 A T E -B 147 0B 84 142,-2.3 142,-2.4 -2,-0.1 2,-0.1 -0.901 36.6 -75.1-137.7 167.3 17.3 56.1 80.0 6 21 A A E -B 146 0B 56 -2,-0.3 140,-0.2 140,-0.2 2,-0.1 -0.373 49.4-130.2 -63.3 136.9 17.1 54.6 83.5 7 22 A S - 0 0 10 138,-2.5 2,-0.3 55,-0.1 -1,-0.1 -0.465 20.9-107.9 -85.3 161.9 19.9 55.8 85.8 8 23 A V > - 0 0 96 -2,-0.1 3,-2.3 1,-0.1 4,-0.3 -0.700 48.3 -91.4 -86.7 142.3 22.0 53.4 87.8 9 24 A R T 3 S+ 0 0 136 -2,-0.3 -1,-0.1 1,-0.3 53,-0.1 -0.290 113.1 11.9 -55.2 132.3 21.3 53.5 91.6 10 25 A G T 3 S+ 0 0 40 98,-0.2 -1,-0.3 2,-0.1 4,-0.1 0.480 91.1 121.0 78.4 1.7 23.6 56.1 93.2 11 26 A E S < S+ 0 0 63 -3,-2.3 -2,-0.1 1,-0.3 3,-0.1 0.791 83.9 29.4 -67.1 -29.9 24.7 57.4 89.9 12 27 A W S > S+ 0 0 11 -4,-0.3 3,-2.1 1,-0.1 -1,-0.3 -0.579 73.0 170.0-130.9 67.2 23.5 61.0 90.7 13 28 A P T 3 S+ 0 0 10 0, 0.0 97,-0.8 0, 0.0 47,-0.3 0.603 74.8 58.3 -55.2 -17.2 23.9 61.1 94.6 14 29 A W T 3 S+ 0 0 3 95,-0.2 19,-2.6 97,-0.1 2,-0.3 0.628 83.4 102.5 -90.0 -14.3 23.2 64.8 94.7 15 30 A Q E < -J 32 0C 4 -3,-2.1 45,-0.5 17,-0.2 46,-0.4 -0.516 50.0-179.2 -72.9 130.7 19.8 64.5 93.0 16 31 A V E -J 31 0C 1 15,-2.1 15,-1.0 -2,-0.3 2,-0.5 -0.878 24.9-131.6-126.0 159.7 16.8 64.7 95.4 17 32 A T E -JK 30 58C 0 41,-2.1 41,-2.3 -2,-0.3 2,-0.6 -0.968 19.5-151.4-112.6 123.7 13.1 64.4 94.8 18 33 A L E -JK 29 57C 3 11,-3.3 10,-3.5 -2,-0.5 11,-1.8 -0.870 16.4-169.6 -99.8 120.2 11.0 67.2 96.4 19 34 A H E -JK 27 56C 10 37,-3.1 37,-2.1 -2,-0.6 2,-0.4 -0.736 15.0-149.8-108.1 156.5 7.5 66.3 97.4 20 35 A T E -JK 26 55C 6 6,-2.1 6,-1.9 -2,-0.3 35,-0.2 -0.930 7.1-151.8-117.8 146.7 4.5 68.3 98.5 21 36 A T + 0 0 43 33,-2.2 4,-0.3 -2,-0.4 34,-0.1 0.367 52.5 130.5 -99.5 4.6 2.0 66.7 100.9 22 37 A S S S- 0 0 60 32,-0.3 2,-0.2 2,-0.2 4,-0.1 -0.935 84.4 -11.1-116.9 129.8 -0.9 68.8 99.7 23 37AA P S S- 0 0 105 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.863 144.7 -22.6 -72.7 -38.7 -3.5 67.7 98.9 24 37BA T S S- 0 0 105 -2,-0.2 -2,-0.2 -4,-0.1 -4,-0.1 -0.905 90.5 -76.0-126.7 157.4 -1.9 64.2 98.9 25 37CA Q + 0 0 68 -2,-0.3 2,-0.3 -4,-0.3 -4,-0.2 -0.259 62.4 147.8 -61.8 135.2 1.8 63.4 98.6 26 37DA R E -J 20 0C 125 -6,-1.9 -6,-2.1 -4,-0.1 2,-0.2 -0.981 52.9 -86.0-160.8 156.2 3.4 63.7 95.2 27 38 A H E +J 19 0C 14 -2,-0.3 -8,-0.3 -8,-0.2 3,-0.1 -0.499 42.6 171.9 -66.8 131.9 6.7 64.5 93.5 28 39 A L E - 0 0 39 -10,-3.5 2,-0.3 1,-0.4 -9,-0.2 0.794 54.3 -18.7-107.5 -54.8 6.9 68.3 92.9 29 40 A a E -J 18 0C 6 -11,-1.8 -11,-3.3 158,-0.1 -1,-0.4 -0.928 55.9-111.2-150.2 171.1 10.4 69.1 91.7 30 41 A G E +J 17 0C 1 158,-3.4 12,-0.4 -2,-0.3 2,-0.3 -0.506 36.5 172.9 -97.4 174.2 14.0 67.9 91.5 31 42 A G E -J 16 0C 1 -15,-1.0 -15,-2.1 -2,-0.2 2,-0.4 -0.964 25.1-117.4-170.6 171.1 16.8 69.5 93.4 32 43 A S E -JL 15 40C 0 8,-2.3 8,-3.1 -2,-0.3 2,-0.5 -0.983 18.5-127.8-129.7 133.6 20.5 69.2 94.2 33 44 A I E + L 0 39C 1 -19,-2.6 79,-2.2 -2,-0.4 6,-0.2 -0.645 38.5 158.5 -74.5 121.8 22.3 68.6 97.5 34 45 A I E + 0 0 29 4,-2.5 2,-0.3 -2,-0.5 -1,-0.2 0.488 64.1 15.5-120.7 -9.6 24.9 71.3 97.7 35 46 A G E > S- L 0 38C 15 3,-1.5 3,-1.2 75,-0.0 -1,-0.3 -0.964 87.0 -93.3-155.7 165.9 25.5 71.4 101.4 36 47 A N T 3 S+ 0 0 68 -2,-0.3 67,-3.2 1,-0.3 65,-0.1 0.753 128.4 18.2 -56.5 -26.4 24.8 69.4 104.6 37 48 A Q T 3 S+ 0 0 56 65,-0.2 62,-2.4 63,-0.0 2,-0.4 0.117 113.2 91.9-131.2 20.3 21.6 71.3 105.1 38 51 A W E < -LM 35 98C 19 -3,-1.2 -4,-2.5 60,-0.2 -3,-1.5 -0.957 43.5-175.1-131.3 129.8 21.1 72.9 101.7 39 52 A I E -LM 33 97C 3 58,-1.9 58,-2.1 -2,-0.4 2,-0.5 -0.947 17.2-149.3-113.7 131.3 19.2 71.9 98.5 40 53 A L E +LM 32 96C 0 -8,-3.1 -8,-2.3 -2,-0.4 2,-0.2 -0.897 36.4 140.7-102.3 128.0 19.5 74.0 95.4 41 54 A T E - M 0 95C 0 54,-2.7 54,-2.2 -2,-0.5 2,-0.4 -0.723 50.4 -63.9-146.1-165.5 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 -0.786 28.6-142.3 -99.3 137.1 14.2 76.3 91.0 43 56 A A G > S+ 0 0 3 -2,-0.4 3,-2.0 1,-0.3 -1,-0.1 0.861 99.0 61.8 -60.7 -41.7 12.2 79.2 92.4 44 57 A H G > S+ 0 0 45 1,-0.3 3,-0.8 2,-0.1 -1,-0.3 0.521 86.1 80.0 -66.7 -2.5 9.2 78.6 90.2 45 58 A a G < S+ 0 0 7 -3,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.625 86.1 58.5 -77.0 -12.0 8.8 75.3 91.9 46 59 A F G X + 0 0 17 -3,-2.0 3,-1.8 -4,-0.1 2,-0.5 0.023 68.4 142.7-109.2 26.9 7.2 76.9 94.9 47 59AA Y T < S+ 0 0 214 -3,-0.8 3,-0.1 1,-0.3 -3,-0.0 -0.561 80.3 9.8 -70.8 119.3 4.2 78.5 93.1 48 59BA G T 3 S+ 0 0 66 -2,-0.5 2,-0.8 1,-0.2 -1,-0.3 0.459 98.2 126.3 91.0 2.2 1.2 78.3 95.4 49 59CA V < + 0 0 29 -3,-1.8 -1,-0.2 1,-0.1 -3,-0.0 -0.832 25.8 166.9 -98.0 109.1 3.4 77.1 98.3 50 60 A E + 0 0 194 -2,-0.8 -1,-0.1 1,-0.2 -3,-0.0 0.466 64.0 35.4-101.4 -2.9 2.9 79.3 101.3 51 61 A S > - 0 0 35 1,-0.1 3,-1.1 27,-0.0 -1,-0.2 -0.986 61.4-141.2-153.3 140.7 4.7 77.1 103.9 52 62 A P G > S+ 0 0 31 0, 0.0 3,-2.0 0, 0.0 24,-0.6 0.631 91.6 86.7 -70.9 -15.4 7.7 74.8 104.0 53 63 A K G 3 S+ 0 0 179 1,-0.3 24,-0.0 22,-0.1 -33,-0.0 0.727 84.2 52.6 -58.6 -26.1 5.6 72.5 106.2 54 64 A I G < S+ 0 0 47 -3,-1.1 -33,-2.2 -34,-0.1 -32,-0.3 0.349 94.0 96.2 -93.5 6.7 4.1 70.7 103.3 55 65 A L E < -K 20 0C 5 -3,-2.0 21,-0.6 -35,-0.2 2,-0.4 -0.740 47.7-177.0-101.1 146.9 7.5 70.0 101.7 56 66 A R E -KN 19 75C 65 -37,-2.1 -37,-3.1 -2,-0.3 2,-0.5 -0.984 11.9-153.7-141.7 126.1 9.5 66.8 102.1 57 67 A V E -KN 18 74C 0 17,-2.6 17,-3.0 -2,-0.4 2,-0.5 -0.898 9.2-166.3-104.8 125.8 12.9 66.2 100.6 58 68 A Y E -K 17 0C 2 -41,-2.3 -41,-2.1 -2,-0.5 3,-0.3 -0.949 6.5-174.0-113.7 125.0 14.0 62.6 99.8 59 69 A S + 0 0 16 -2,-0.5 -43,-0.1 -43,-0.2 50,-0.1 -0.678 62.7 35.2-110.5 166.1 17.6 61.8 99.1 60 70 A G S S+ 0 0 24 -45,-0.5 2,-0.4 48,-0.4 -1,-0.2 0.805 83.2 146.5 63.0 30.6 19.2 58.6 97.9 61 71 A I + 0 0 23 -46,-0.4 -1,-0.2 -3,-0.3 3,-0.1 -0.835 25.2 161.8-105.3 137.0 16.2 57.7 95.8 62 72 A L S S+ 0 0 19 -2,-0.4 83,-2.4 1,-0.4 2,-0.4 0.721 74.9 33.8-109.5 -54.8 16.2 55.9 92.4 63 73 A N B > -P 144 0D 36 81,-0.2 3,-2.4 1,-0.1 -1,-0.4 -0.871 69.1-139.1-108.1 135.4 12.6 54.8 92.1 64 74 A Q G > S+ 0 0 30 79,-2.6 3,-2.1 -2,-0.4 -1,-0.1 0.812 102.7 73.2 -58.5 -27.0 9.6 56.8 93.4 65 75 A A G 3 S+ 0 0 78 1,-0.3 -1,-0.3 78,-0.1 79,-0.1 0.714 82.7 68.6 -60.1 -20.1 8.3 53.4 94.6 66 76 A E G < S+ 0 0 56 -3,-2.4 2,-0.7 2,-0.0 -1,-0.3 0.712 83.0 87.7 -71.3 -20.1 10.9 53.5 97.3 67 77 A I < + 0 0 24 -3,-2.1 2,-0.2 -4,-0.3 -1,-0.0 -0.732 55.2 152.4 -87.7 116.1 9.0 56.3 98.9 68 78 A A > - 0 0 45 -2,-0.7 3,-2.0 4,-0.1 -2,-0.0 -0.759 62.6 -88.6-130.3 177.6 6.3 55.1 101.3 69 79 A E T 3 S+ 0 0 195 1,-0.3 -2,-0.0 -2,-0.2 -1,-0.0 0.799 129.0 50.3 -60.6 -26.3 4.6 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 0.295 85.6 113.0 -95.3 10.1 7.4 54.9 106.5 71 81 A T < - 0 0 30 -3,-2.0 2,-0.1 1,-0.1 -4,-0.1 -0.675 69.7-118.7 -86.1 135.9 10.2 56.3 104.4 72 81AA S + 0 0 109 -2,-0.4 2,-0.3 -14,-0.0 -1,-0.1 -0.387 39.2 171.3 -71.5 148.0 12.5 58.9 106.1 73 82 A F - 0 0 76 -15,-0.1 2,-0.5 -2,-0.1 -15,-0.2 -0.929 34.2-105.2-149.2 170.9 12.7 62.4 104.6 74 83 A F E -N 57 0C 29 -17,-3.0 -17,-2.6 -2,-0.3 2,-0.1 -0.897 30.6-139.1-105.3 125.7 14.1 65.8 105.4 75 84 A G E -N 56 0C 9 -2,-0.5 25,-2.5 -19,-0.2 2,-0.6 -0.422 20.2-119.5 -76.9 160.0 11.7 68.5 106.5 76 85 A V E -O 99 0C 4 -21,-0.6 23,-0.3 -24,-0.6 -21,-0.2 -0.912 25.7-177.6-105.7 122.5 12.2 72.0 105.0 77 86 A Q E S+ 0 0 98 21,-3.0 2,-0.3 -2,-0.6 22,-0.2 0.805 70.5 5.8 -85.7 -33.2 12.9 74.7 107.6 78 87 A E E -O 98 0C 83 20,-1.5 20,-2.8 -26,-0.1 2,-0.6 -0.982 55.3-146.4-157.0 141.1 13.0 77.6 105.1 79 88 A I E -O 97 0C 36 -2,-0.3 2,-0.7 18,-0.2 18,-0.2 -0.939 18.7-165.4-107.2 118.8 12.4 78.4 101.4 80 89 A I E -O 96 0C 17 16,-3.4 16,-2.8 -2,-0.6 2,-0.4 -0.909 5.9-173.6-112.1 109.0 14.7 81.1 100.1 81 90 A I E -O 95 0C 59 -2,-0.7 14,-0.2 14,-0.2 12,-0.1 -0.804 37.1-100.5 -99.4 139.6 13.7 82.5 96.7 82 91 A H > - 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