==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 02-APR-13 4JZD . COMPND 2 MOLECULE: FACTOR VIIA (HEAVY CHAIN); . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR B.L.JACOBSON,R.ANUMULA . 309 2 8 7 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13981.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 181 58.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 2.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 84 27.2 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 . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 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 . 19 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 19 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 1 0 1 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 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 PARALLEL BRIDGES PER LADDER . 4 4 1 7 0 3 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 . 2 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 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 H I 0 0 1 0, 0.0 2,-0.5 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 127.3 81.9 29.1 58.9 2 17 H V B -A 186 0A 13 184,-3.4 184,-1.7 1,-0.2 134,-0.1 -0.886 360.0 -1.3-103.0 127.7 82.5 29.3 62.7 3 18 H G S S+ 0 0 48 132,-0.5 -1,-0.2 -2,-0.5 2,-0.1 0.675 102.7 115.8 70.6 22.8 80.7 26.8 64.9 4 19 H G - 0 0 29 -3,-0.3 2,-0.3 182,-0.1 144,-0.2 -0.061 58.2-115.3 -98.8-154.5 78.8 25.1 62.2 5 20 H K E -B 147 0B 124 142,-2.3 142,-3.1 -3,-0.1 2,-0.2 -0.919 36.9 -78.1-141.6 165.3 78.9 21.5 60.9 6 21 H V E -B 146 0B 54 -2,-0.3 140,-0.3 140,-0.2 139,-0.1 -0.457 44.0-128.3 -63.3 130.1 79.8 19.7 57.7 7 22 H a - 0 0 3 138,-3.2 138,-0.2 -2,-0.2 5,-0.2 -0.769 33.7-113.6 -77.0 115.9 76.9 20.1 55.2 8 23 H P > - 0 0 47 0, 0.0 3,-2.8 0, 0.0 4,-0.3 -0.270 45.8 -85.7 -53.7 135.5 76.3 16.4 54.1 9 24 H K T 3 S+ 0 0 63 1,-0.3 50,-0.1 2,-0.1 49,-0.0 -0.190 117.8 17.8 -45.2 122.7 77.3 16.0 50.4 10 25 H G T 3 S+ 0 0 10 48,-0.2 296,-0.4 95,-0.2 -1,-0.3 0.221 98.6 98.6 94.8 -11.3 74.3 17.0 48.2 11 26 H E S < S+ 0 0 56 -3,-2.8 -2,-0.1 1,-0.2 3,-0.1 0.566 88.0 40.6 -84.1 -9.0 72.5 18.9 51.0 12 27 H a S > S+ 0 0 15 -4,-0.3 3,-1.5 -5,-0.2 -1,-0.2 -0.601 72.8 156.3-128.6 59.8 73.7 22.4 49.9 13 28 H P T 3 + 0 0 2 0, 0.0 94,-1.2 0, 0.0 44,-0.3 0.634 68.4 57.7 -72.6 -8.0 73.3 21.8 46.1 14 29 H W T 3 S+ 0 0 9 92,-0.2 16,-2.7 94,-0.1 95,-0.2 0.451 79.2 119.2 -92.9 -7.2 73.0 25.5 45.2 15 30 H Q E < -J 29 0C 3 -3,-1.5 42,-0.5 14,-0.2 2,-0.4 -0.415 47.1-162.8 -65.1 132.7 76.4 26.3 46.8 16 31 H V E -J 28 0C 0 12,-2.3 12,-1.2 -2,-0.2 2,-0.5 -0.915 10.8-150.0-115.7 143.8 78.9 27.7 44.3 17 32 H L E -JK 27 55C 8 38,-2.4 38,-2.6 -2,-0.4 2,-0.5 -0.957 14.1-153.4-108.4 126.3 82.7 27.9 44.8 18 33 H L E -JK 26 54C 0 8,-2.9 7,-2.8 -2,-0.5 8,-1.0 -0.889 14.2-170.7-104.3 131.1 84.3 30.9 43.0 19 34 H L E -JK 24 53C 31 34,-3.0 34,-2.7 -2,-0.5 2,-0.4 -0.941 17.5-163.3-123.3 145.1 87.9 30.5 42.0 20 35 H V E > S-JK 23 52C 31 3,-2.5 3,-2.1 -2,-0.4 32,-0.2 -0.994 88.5 -16.5-126.7 114.7 90.5 33.0 40.6 21 37 H N T 3 S- 0 0 115 30,-1.8 -1,-0.1 -2,-0.4 31,-0.1 0.863 129.2 -56.7 53.7 37.9 93.5 31.2 39.0 22 38 H G T 3 S+ 0 0 62 29,-0.4 2,-0.3 1,-0.2 -1,-0.3 0.268 113.7 121.3 80.7 -7.7 92.4 28.1 40.8 23 39 H A E < S-J 20 0C 58 -3,-2.1 -3,-2.5 1,-0.1 -1,-0.2 -0.675 74.7 -96.0 -92.4 143.0 92.5 29.8 44.2 24 40 H Q E +J 19 0C 64 -2,-0.3 -5,-0.2 -5,-0.2 -1,-0.1 -0.296 50.5 160.7 -55.7 123.5 89.5 30.2 46.6 25 41 H L E - 0 0 47 -7,-2.8 2,-0.3 1,-0.4 -6,-0.2 0.817 53.6 -45.0-107.9 -58.5 87.9 33.6 46.1 26 42 H b E -J 18 0C 7 -8,-1.0 -8,-2.9 165,-0.1 -1,-0.4 -0.919 51.9 -98.9-163.2 176.3 84.3 33.6 47.5 27 43 H G E -J 17 0C 1 165,-3.6 12,-0.4 -2,-0.3 2,-0.3 -0.477 33.6-175.8-101.7-179.2 81.1 31.6 47.6 28 44 H G E -J 16 0C 0 -12,-1.2 -12,-2.3 -2,-0.2 2,-0.4 -0.957 21.9-117.5-164.9 174.1 77.9 32.1 45.5 29 45 H T E -JL 15 37C 0 8,-2.5 8,-3.0 -2,-0.3 2,-0.4 -0.988 17.3-136.9-130.5 126.3 74.4 30.8 45.0 30 46 H L E + L 0 36C 0 -16,-2.7 79,-3.2 -2,-0.4 6,-0.2 -0.625 25.4 171.9 -75.1 127.6 73.0 29.1 41.9 31 47 H I - 0 0 7 4,-2.5 80,-0.4 1,-0.4 2,-0.2 0.512 69.2 -13.6-116.0 -9.9 69.4 30.5 41.2 32 48 H N S S- 0 0 52 3,-1.0 -1,-0.4 78,-0.1 68,-0.1 -0.899 91.2 -72.0-168.4-175.1 68.9 28.8 37.8 33 49 H T S S+ 0 0 49 -2,-0.2 67,-2.6 1,-0.2 65,-0.1 0.725 129.1 25.9 -63.7 -23.7 71.1 26.9 35.2 34 50 H I S S+ 0 0 48 65,-0.2 62,-3.1 1,-0.1 2,-0.4 0.610 109.1 76.4-112.4 -25.0 72.9 30.1 33.9 35 51 H W E - M 0 95C 13 60,-0.2 -4,-2.5 58,-0.0 -3,-1.0 -0.849 45.7-178.9-110.9 138.0 72.8 32.5 36.9 36 52 H V E -LM 30 94C 0 58,-2.3 58,-3.6 -2,-0.4 2,-0.5 -0.981 16.7-146.2-129.0 134.4 74.7 32.8 40.2 37 53 H V E +LM 29 93C 0 -8,-3.0 -8,-2.5 -2,-0.4 56,-0.2 -0.904 32.5 152.2-101.7 130.7 74.2 35.4 42.9 38 54 H S E - M 0 92C 0 54,-2.9 54,-2.3 -2,-0.5 2,-0.4 -0.609 47.9 -75.9-135.9-164.6 77.4 36.5 44.8 39 55 H A > - 0 0 0 -12,-0.4 3,-1.3 52,-0.3 52,-0.3 -0.869 28.2-137.3-103.8 134.7 78.7 39.6 46.7 40 56 H A G > S+ 0 0 0 -2,-0.4 3,-1.8 1,-0.2 4,-0.1 0.859 101.2 65.9 -56.1 -38.4 80.0 42.6 44.7 41 57 H H G > S+ 0 0 48 1,-0.3 3,-1.3 2,-0.2 4,-0.2 0.698 84.5 74.0 -59.1 -22.6 83.0 43.0 47.1 42 58 H b G < S+ 0 0 8 -3,-1.3 -1,-0.3 1,-0.2 3,-0.2 0.691 98.5 47.2 -59.8 -24.9 84.5 39.6 45.9 43 59 H F G X S+ 0 0 9 -3,-1.8 3,-1.0 -4,-0.2 -1,-0.2 0.308 77.2 104.0-104.9 4.8 85.4 41.3 42.6 44 60 H D T < S+ 0 0 62 -3,-1.3 -1,-0.1 1,-0.2 -2,-0.1 0.785 90.5 35.9 -56.5 -32.4 87.2 44.5 44.0 45 60AH K T 3 S+ 0 0 202 -4,-0.2 2,-0.3 -3,-0.2 -1,-0.2 0.296 82.0 128.8-110.8 11.6 90.7 43.2 43.2 46 60BH I < + 0 0 27 -3,-1.0 3,-0.2 1,-0.2 -3,-0.0 -0.524 23.3 170.6 -73.7 123.9 90.2 41.2 40.0 47 60CH K S S+ 0 0 97 -2,-0.3 2,-0.6 1,-0.3 -1,-0.2 0.879 73.2 36.0 -95.4 -54.4 92.7 42.2 37.2 48 60DH N > - 0 0 66 1,-0.1 3,-1.4 3,-0.0 -1,-0.3 -0.902 64.2-167.9-108.9 107.9 92.0 39.4 34.5 49 61 H W G > S+ 0 0 35 -2,-0.6 3,-1.3 1,-0.3 24,-0.2 0.708 81.7 72.2 -65.7 -23.1 88.3 38.5 34.4 50 62 H R G 3 S+ 0 0 163 1,-0.2 -1,-0.3 22,-0.1 23,-0.1 0.570 87.1 64.0 -70.6 -12.9 89.1 35.4 32.2 51 63 H N G < S+ 0 0 56 -3,-1.4 -30,-1.8 21,-0.1 2,-0.5 0.326 76.9 109.8 -94.4 6.7 90.6 33.6 35.3 52 64 H L E < +K 20 0C 2 -3,-1.3 21,-1.2 -32,-0.2 2,-0.4 -0.745 45.1 179.7 -88.5 120.8 87.3 33.5 37.1 53 65 H I E -KN 19 72C 46 -34,-2.7 -34,-3.0 -2,-0.5 2,-0.4 -0.975 17.6-152.0-125.3 137.7 85.7 30.0 37.5 54 66 H A E -KN 18 71C 0 17,-2.7 17,-2.4 -2,-0.4 2,-0.5 -0.915 12.5-160.1-107.2 132.6 82.4 29.0 39.2 55 67 H V E -KN 17 70C 6 -38,-2.6 -38,-2.4 -2,-0.4 2,-0.3 -0.973 7.3-173.2-118.5 126.3 82.2 25.4 40.5 56 68 H L E + N 0 69C 0 13,-3.1 13,-2.6 -2,-0.5 -40,-0.1 -0.770 68.1 30.1-110.9 156.5 78.9 23.6 41.2 57 69 H G S S+ 0 0 8 -42,-0.5 10,-0.2 48,-0.4 2,-0.2 0.559 82.9 147.2 71.9 10.1 78.4 20.2 42.9 58 70 H E + 0 0 17 -43,-0.4 -1,-0.2 -3,-0.2 -48,-0.2 -0.494 11.5 152.4 -79.3 146.8 81.6 20.7 45.0 59 71 H H + 0 0 21 4,-0.3 86,-1.7 1,-0.3 2,-0.5 0.461 64.5 32.5-133.3 -62.6 81.8 19.2 48.5 60 72 H D B > -Q 144 0D 25 3,-0.3 3,-1.4 84,-0.2 -1,-0.3 -0.947 60.9-156.2-114.2 115.8 85.4 18.4 49.6 61 73 H L T 3 S+ 0 0 48 82,-2.9 83,-0.1 -2,-0.5 -1,-0.1 0.635 91.2 61.8 -65.9 -19.0 88.2 20.7 48.2 62 74 H S T 3 S+ 0 0 85 81,-0.3 2,-0.3 1,-0.1 -1,-0.3 0.611 110.2 37.3 -84.4 -10.9 90.8 18.0 48.6 63 75 H E < - 0 0 105 -3,-1.4 2,-0.4 0, 0.0 -3,-0.3 -0.984 62.0-141.9-142.2 155.6 89.1 15.6 46.1 64 76 H H + 0 0 151 -2,-0.3 -6,-0.1 1,-0.1 -3,-0.0 -0.937 15.8 175.4-111.9 130.4 87.1 15.3 42.9 65 77 H D - 0 0 63 -2,-0.4 -1,-0.1 -5,-0.1 -7,-0.0 0.325 55.8-102.8-113.2 3.5 84.3 12.7 42.8 66 78 H G S S+ 0 0 66 -9,-0.0 -2,-0.0 0, 0.0 -9,-0.0 0.336 102.7 97.6 91.0 -6.0 82.8 13.6 39.3 67 79 H D + 0 0 52 -10,-0.2 2,-0.1 2,-0.0 38,-0.1 0.559 60.6 103.5 -87.8 -9.5 79.8 15.5 40.6 68 80 H E - 0 0 31 -13,-0.0 2,-0.4 -11,-0.0 -11,-0.2 -0.455 52.3-165.4 -74.8 145.0 81.6 18.9 40.1 69 81 H Q E -N 56 0C 26 -13,-2.6 -13,-3.1 -2,-0.1 2,-0.4 -0.992 5.1-161.0-135.1 122.1 80.7 21.1 37.2 70 82 H S E +N 55 0C 69 -2,-0.4 2,-0.3 -15,-0.2 -15,-0.2 -0.862 11.5 179.2-105.4 137.8 83.1 24.0 36.3 71 83 H R E -N 54 0C 39 -17,-2.4 -17,-2.7 -2,-0.4 2,-0.1 -0.996 27.9-121.7-139.1 145.4 82.1 27.0 34.2 72 84 H R E -N 53 0C 152 -2,-0.3 25,-3.0 -19,-0.2 2,-0.7 -0.466 33.5-118.7 -76.3 150.9 83.7 30.2 33.0 73 85 H V E -O 96 0C 9 -21,-1.2 23,-0.2 -24,-0.2 -21,-0.2 -0.887 27.8-177.0 -99.4 112.5 82.0 33.4 34.0 74 86 H A E + 0 0 33 21,-2.1 2,-0.3 -2,-0.7 22,-0.2 0.685 69.9 16.7 -80.8 -23.8 80.8 35.3 31.0 75 87 H Q E -O 95 0C 3 20,-1.4 20,-2.4 168,-0.1 2,-0.5 -0.972 51.3-162.4-155.3 139.5 79.5 38.3 33.0 76 88 H V E -Op 94 248C 0 171,-2.4 173,-2.9 -2,-0.3 2,-0.5 -0.980 22.4-163.5-121.0 107.6 79.8 39.9 36.5 77 89 H I E +Op 93 249C 0 16,-3.1 16,-2.7 -2,-0.5 173,-0.2 -0.877 11.0 176.8-103.8 123.4 76.9 42.3 37.0 78 90 H I E - p 0 250C 11 171,-2.5 173,-2.4 -2,-0.5 14,-0.1 -0.946 33.8-105.4-125.9 138.2 77.2 44.9 39.9 79 91 H P E > - p 0 251C 0 0, 0.0 3,-1.5 0, 0.0 12,-0.1 -0.338 24.6-126.6 -64.0 145.3 74.7 47.7 40.9 80 92 H S T 3 S+ 0 0 43 171,-2.1 170,-0.0 1,-0.3 -2,-0.0 0.741 108.9 63.7 -60.2 -25.3 75.8 51.2 40.0 81 93 H T T 3 S+ 0 0 55 170,-0.3 2,-0.3 2,-0.1 -1,-0.3 0.600 79.8 100.5 -78.0 -13.4 75.3 52.1 43.7 82 94 H Y < - 0 0 7 -3,-1.5 7,-0.1 7,-0.1 8,-0.0 -0.598 58.0-160.1 -76.4 135.4 78.0 49.8 44.8 83 95 H V > - 0 0 85 5,-0.4 3,-1.7 -2,-0.3 5,-0.1 -0.965 24.8-115.3-115.3 117.1 81.4 51.5 45.6 84 96 H P T 3 S+ 0 0 92 0, 0.0 3,-0.1 0, 0.0 -43,-0.1 -0.207 102.6 27.5 -51.3 138.3 84.5 49.2 45.7 85 97 H G T 3 S+ 0 0 69 1,-0.3 2,-0.2 -44,-0.1 -44,-0.0 0.458 109.4 90.1 86.1 1.9 86.1 49.0 49.2 86 98 H T S < S- 0 0 69 -3,-1.7 -1,-0.3 2,-0.1 -45,-0.1 -0.670 72.1-130.2-121.5 178.2 82.7 49.7 50.9 87 99 H T > + 0 0 34 -2,-0.2 3,-0.6 -3,-0.1 -46,-0.1 0.678 67.3 99.7-104.3 -27.1 79.8 47.5 52.2 88 100 H N T 3 S+ 0 0 44 1,-0.2 -5,-0.4 -7,-0.1 3,-0.1 -0.364 88.3 16.0 -70.7 149.3 76.5 48.8 50.8 89 101 H H T 3 S+ 0 0 17 1,-0.2 2,-1.9 -7,-0.1 -1,-0.2 0.883 78.1 176.8 57.9 41.6 74.8 47.2 47.8 90 102 H D < + 0 0 2 -3,-0.6 2,-0.3 84,-0.2 136,-0.2 -0.480 32.3 112.5 -82.3 73.1 77.0 44.1 48.2 91 103 H I - 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