==== 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 4JZE . COMPND 2 MOLECULE: FACTOR VIIA (HEAVY CHAIN); . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.WEI,R.ANUMULA . 309 2 8 7 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13818.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 179 57.9 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 . 85 27.5 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 . 18 5.8 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 . 17 5.5 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 2 0 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 6 1 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 3 0, 0.0 2,-0.4 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 125.3 18.8 33.8 29.5 2 17 H V B +A 186 0A 14 184,-3.2 184,-1.8 1,-0.2 134,-0.1 -0.885 360.0 0.8-103.0 128.6 18.9 34.4 33.3 3 18 H G S S+ 0 0 47 132,-0.5 -1,-0.2 -2,-0.4 2,-0.1 0.656 102.6 111.3 71.9 24.1 21.4 32.5 35.5 4 19 H G - 0 0 39 -3,-0.2 2,-0.3 182,-0.1 144,-0.2 -0.011 61.4-114.9-101.0-152.2 23.0 30.5 32.8 5 20 H K E -B 147 0B 123 142,-2.3 142,-2.9 -3,-0.1 2,-0.2 -0.877 38.3 -77.4-142.1 170.0 26.6 30.7 31.3 6 21 H V E -B 146 0B 51 -2,-0.3 140,-0.3 140,-0.2 139,-0.1 -0.549 46.2-123.7 -68.7 134.7 28.1 31.7 27.9 7 22 H a - 0 0 4 138,-3.0 138,-0.2 -2,-0.2 5,-0.1 -0.742 35.1-112.1 -78.8 116.9 27.7 28.9 25.5 8 23 H P > - 0 0 48 0, 0.0 3,-2.7 0, 0.0 4,-0.3 -0.295 48.2 -84.8 -52.9 134.6 31.3 28.2 24.4 9 24 H K T 3 S+ 0 0 60 1,-0.3 50,-0.1 2,-0.1 49,-0.0 -0.225 116.4 13.4 -44.7 122.2 31.6 29.2 20.7 10 25 H G T 3 S+ 0 0 11 48,-0.2 296,-0.4 95,-0.2 -1,-0.3 0.307 98.4 100.3 89.5 -4.5 30.5 26.3 18.5 11 26 H E S < S+ 0 0 42 -3,-2.7 -2,-0.1 1,-0.2 3,-0.1 0.595 87.7 42.0 -86.5 -11.0 28.8 24.3 21.3 12 27 H a S > S+ 0 0 13 -4,-0.3 3,-1.4 -5,-0.1 -1,-0.2 -0.591 73.7 156.4-122.0 58.7 25.3 25.5 20.3 13 28 H P T 3 + 0 0 3 0, 0.0 94,-1.5 0, 0.0 44,-0.3 0.612 67.4 56.4 -72.0 -8.5 25.8 25.2 16.5 14 29 H W T 3 S+ 0 0 9 92,-0.2 16,-2.6 94,-0.1 95,-0.2 0.489 79.3 118.2 -93.6 -9.5 22.0 24.8 15.7 15 30 H Q E < -J 29 0C 3 -3,-1.4 42,-0.5 14,-0.2 43,-0.4 -0.391 48.3-161.9 -63.0 134.4 21.2 28.2 17.4 16 31 H V E -JK 28 56C 0 12,-2.7 12,-1.2 40,-0.1 2,-0.5 -0.921 10.1-150.2-115.8 146.1 19.7 30.7 15.0 17 32 H L E -JK 27 55C 6 38,-2.3 38,-2.5 -2,-0.4 2,-0.5 -0.967 14.0-152.3-112.5 124.2 19.4 34.5 15.5 18 33 H L E -JK 26 54C 0 8,-3.2 7,-2.8 -2,-0.5 8,-1.3 -0.882 14.5-172.7-100.7 131.8 16.5 36.1 13.8 19 34 H L E -JK 24 53C 31 34,-3.0 34,-2.7 -2,-0.5 2,-0.4 -0.914 15.6-162.7-122.5 146.9 16.8 39.8 12.7 20 35 H V E > S-JK 23 52C 18 3,-2.3 3,-2.3 -2,-0.3 32,-0.2 -0.997 87.6 -13.4-130.4 119.0 14.3 42.3 11.3 21 37 H N T 3 S- 0 0 101 30,-1.7 -1,-0.1 -2,-0.4 31,-0.1 0.860 130.9 -57.1 55.9 34.8 15.9 45.4 9.6 22 38 H G T 3 S+ 0 0 63 29,-0.5 2,-0.3 1,-0.2 -1,-0.3 0.321 113.1 120.5 80.6 -4.3 19.1 44.3 11.3 23 39 H A E < S-J 20 0C 60 -3,-2.3 -3,-2.3 1,-0.1 -1,-0.2 -0.728 74.1 -96.8 -97.3 145.3 17.6 44.4 14.8 24 40 H Q E +J 19 0C 65 -2,-0.3 -5,-0.2 -5,-0.2 -1,-0.1 -0.261 50.5 158.9 -56.7 126.0 17.4 41.4 17.2 25 41 H L E - 0 0 46 -7,-2.8 2,-0.3 1,-0.4 -6,-0.2 0.743 54.0 -42.6-113.4 -57.7 13.9 39.8 17.0 26 42 H b E -J 18 0C 7 -8,-1.3 -8,-3.2 165,-0.1 -1,-0.4 -0.930 51.6-101.2-162.8 176.9 14.0 36.2 18.3 27 43 H G E -J 17 0C 3 165,-3.3 12,-0.4 -2,-0.3 2,-0.3 -0.485 32.4-179.2-102.8-176.9 16.0 32.9 18.3 28 44 H G E -J 16 0C 0 -12,-1.2 -12,-2.7 -2,-0.2 2,-0.4 -0.947 24.1-114.5-168.8 175.7 15.3 29.8 16.2 29 45 H T E -JL 15 37C 0 8,-2.4 8,-2.8 -2,-0.3 2,-0.3 -0.988 18.7-135.5-131.6 125.3 16.7 26.2 15.7 30 46 H L E + L 0 36C 0 -16,-2.6 79,-3.1 -2,-0.4 6,-0.2 -0.609 24.3 174.9 -75.2 128.9 18.3 24.9 12.5 31 47 H I - 0 0 6 4,-2.5 80,-0.4 -2,-0.3 2,-0.2 0.552 68.7 -13.5-114.4 -9.3 16.9 21.4 11.8 32 48 H N S S- 0 0 51 3,-1.0 -1,-0.3 78,-0.1 68,-0.1 -0.876 94.8 -68.3-166.6-170.2 18.5 20.8 8.3 33 49 H T S S+ 0 0 57 -2,-0.2 67,-2.5 1,-0.2 65,-0.1 0.665 128.6 22.1 -71.5 -15.2 20.3 23.1 5.7 34 50 H I S S+ 0 0 45 65,-0.2 62,-3.1 1,-0.1 2,-0.4 0.568 107.4 78.1-126.3 -7.7 17.2 25.1 4.7 35 51 H W E - M 0 95C 12 60,-0.2 -4,-2.5 -3,-0.0 -3,-1.0 -0.891 47.4-175.6-114.0 138.1 14.6 24.8 7.6 36 52 H V E -LM 30 94C 0 58,-2.4 58,-3.4 -2,-0.4 2,-0.4 -0.983 15.0-146.3-127.8 136.6 14.5 26.7 10.9 37 53 H V E +LM 29 93C 0 -8,-2.8 -8,-2.4 -2,-0.4 56,-0.2 -0.875 33.5 148.8-102.7 134.2 12.0 26.2 13.7 38 54 H S E - M 0 92C 0 54,-3.0 54,-2.3 -2,-0.4 2,-0.4 -0.667 48.5 -70.4-142.1-163.5 11.0 29.2 15.8 39 55 H A > - 0 0 0 -12,-0.4 3,-1.4 52,-0.3 52,-0.3 -0.863 27.5-139.3-101.9 135.0 8.0 30.7 17.7 40 56 H A G > S+ 0 0 0 -2,-0.4 3,-2.0 1,-0.2 4,-0.1 0.859 100.8 64.9 -55.4 -38.0 4.8 31.9 15.9 41 57 H H G > S+ 0 0 47 1,-0.3 3,-1.3 2,-0.2 4,-0.3 0.694 84.2 73.3 -63.7 -21.5 4.6 34.9 18.3 42 58 H b G < S+ 0 0 9 -3,-1.4 -1,-0.3 1,-0.2 3,-0.2 0.651 98.8 49.0 -61.4 -20.9 7.9 36.3 16.9 43 59 H F G X S+ 0 0 8 -3,-2.0 3,-1.2 -4,-0.2 -1,-0.2 0.343 78.1 101.4-104.1 2.9 6.0 37.3 13.7 44 60 H D T < S+ 0 0 63 -3,-1.3 -1,-0.1 1,-0.2 -2,-0.1 0.814 92.8 32.8 -56.7 -35.7 2.9 39.0 15.3 45 60AH K T 3 S+ 0 0 194 -4,-0.3 2,-0.3 -3,-0.2 -1,-0.2 0.199 85.6 129.0-112.1 15.1 4.2 42.5 14.7 46 60BH I < + 0 0 22 -3,-1.2 3,-0.1 1,-0.2 -3,-0.1 -0.589 11.7 153.3 -77.5 129.4 6.2 42.0 11.4 47 60CH K + 0 0 188 -2,-0.3 2,-1.3 1,-0.1 3,-0.2 0.601 69.9 65.5-116.2 -35.1 5.3 44.5 8.5 48 60DH N > + 0 0 73 1,-0.2 3,-1.8 2,-0.1 -27,-0.2 -0.551 58.2 162.4 -92.2 67.4 8.8 44.2 6.7 49 61 H W G > S+ 0 0 62 -2,-1.3 3,-0.8 1,-0.3 -1,-0.2 0.754 73.1 57.0 -58.2 -28.3 8.5 40.5 5.7 50 62 H R G 3 S+ 0 0 80 1,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.525 99.5 59.6 -80.8 -10.7 11.3 41.1 3.1 51 63 H N G < S+ 0 0 69 -3,-1.8 -30,-1.7 21,-0.1 2,-0.5 0.131 74.0 119.6-106.9 21.3 13.8 42.3 5.8 52 64 H L E < -K 20 0C 1 -3,-0.8 21,-2.2 21,-0.2 2,-0.4 -0.766 40.9-178.6 -90.7 121.3 13.7 39.1 7.9 53 65 H I E -KN 19 72C 45 -34,-2.7 -34,-3.0 -2,-0.5 2,-0.4 -0.973 18.9-152.8-125.7 139.2 17.2 37.5 8.2 54 66 H A E -KN 18 71C 1 17,-3.1 17,-2.6 -2,-0.4 2,-0.5 -0.927 11.9-159.1-107.7 136.7 18.4 34.3 9.9 55 67 H V E -KN 17 70C 4 -38,-2.5 -38,-2.3 -2,-0.4 2,-0.3 -0.979 7.5-171.6-119.4 126.4 22.0 34.2 11.1 56 68 H L E +KN 16 69C 0 13,-2.8 13,-2.6 -2,-0.5 -40,-0.1 -0.814 69.2 31.7-108.0 155.1 23.7 30.8 11.7 57 69 H G S S+ 0 0 7 -42,-0.5 10,-0.2 48,-0.3 2,-0.2 0.628 83.7 150.8 72.7 14.7 27.2 30.3 13.3 58 70 H E + 0 0 34 -43,-0.4 -1,-0.3 -3,-0.2 -48,-0.2 -0.490 8.7 145.0 -78.4 148.5 26.6 33.4 15.4 59 71 H H + 0 0 18 1,-0.3 86,-1.8 4,-0.2 2,-0.5 0.384 65.4 32.4-142.5 -61.4 28.2 33.7 18.9 60 72 H D B > -Q 144 0D 36 3,-0.2 3,-1.1 84,-0.2 -1,-0.3 -0.947 59.9-158.1-113.7 117.8 29.3 37.3 19.8 61 73 H L T 3 S+ 0 0 57 82,-3.0 83,-0.1 -2,-0.5 -1,-0.1 0.564 87.9 63.0 -69.6 -12.7 27.1 40.1 18.4 62 74 H S T 3 S+ 0 0 86 81,-0.3 2,-0.3 1,-0.1 -1,-0.2 0.609 105.1 41.1 -90.4 -14.0 29.9 42.7 18.7 63 75 H E < - 0 0 119 -3,-1.1 2,-0.6 0, 0.0 -3,-0.2 -0.982 66.4-137.6-137.3 149.4 32.4 41.1 16.2 64 76 H H + 0 0 145 -2,-0.3 -3,-0.1 1,-0.1 -6,-0.0 -0.928 24.7 172.0-102.4 115.7 32.3 39.4 12.8 65 77 H D - 0 0 61 -2,-0.6 -1,-0.1 -5,-0.1 -7,-0.0 0.484 52.0-107.2-107.3 2.2 34.6 36.4 13.0 66 78 H G S S+ 0 0 48 -9,-0.0 -2,-0.1 0, 0.0 -9,-0.0 0.260 101.3 92.6 94.8 -11.3 33.8 34.8 9.6 67 79 H D + 0 0 49 -10,-0.2 2,-0.2 2,-0.0 -9,-0.1 0.569 62.3 102.7 -86.4 -13.6 31.8 31.8 10.9 68 80 H E - 0 0 22 -13,-0.1 2,-0.4 38,-0.0 -11,-0.2 -0.492 51.6-168.5 -70.7 143.9 28.4 33.7 10.6 69 81 H Q E -N 56 0C 28 -13,-2.6 -13,-2.8 -2,-0.2 2,-0.4 -0.989 5.0-159.3-135.5 121.6 26.2 32.9 7.7 70 82 H S E +N 55 0C 70 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.857 11.5 178.2-104.0 139.1 23.2 35.1 6.9 71 83 H R E -N 54 0C 38 -17,-2.6 -17,-3.1 -2,-0.4 2,-0.2 -0.998 29.7-119.1-139.1 141.6 20.2 34.0 4.9 72 84 H R E -N 53 0C 144 -2,-0.4 25,-3.1 -19,-0.2 2,-0.7 -0.505 32.9-120.0 -71.5 143.5 16.9 35.8 3.9 73 85 H V E -O 96 0C 8 -21,-2.2 23,-0.2 23,-0.2 -21,-0.2 -0.821 28.5-174.4 -88.0 114.6 13.8 34.0 5.3 74 86 H A E + 0 0 38 21,-2.3 2,-0.3 -2,-0.7 22,-0.2 0.778 66.7 13.2 -78.3 -34.5 11.8 33.1 2.2 75 87 H Q E -O 95 0C 4 20,-1.4 20,-2.2 2,-0.0 2,-0.5 -0.994 52.7-160.1-149.0 144.0 8.7 31.7 4.0 76 88 H V E -Op 94 248C 0 171,-2.4 173,-2.7 -2,-0.3 2,-0.5 -0.992 19.0-164.3-123.2 116.5 7.3 31.7 7.5 77 89 H I E -Op 93 249C 1 16,-2.9 16,-2.6 -2,-0.5 173,-0.2 -0.915 8.8-179.0-110.4 124.2 4.7 28.9 8.1 78 90 H I E - p 0 250C 12 171,-2.7 173,-2.3 -2,-0.5 14,-0.2 -0.947 33.0-103.5-122.6 142.3 2.4 29.1 11.1 79 91 H P E > - p 0 251C 0 0, 0.0 3,-1.6 0, 0.0 12,-0.1 -0.342 25.6-127.7 -63.5 143.7 -0.3 26.6 12.2 80 92 H S T 3 S+ 0 0 40 171,-2.4 170,-0.0 1,-0.3 -2,-0.0 0.770 108.8 63.4 -58.9 -26.9 -3.9 27.7 11.4 81 93 H T T 3 S+ 0 0 51 170,-0.3 2,-0.3 2,-0.1 -1,-0.3 0.617 79.8 100.9 -74.4 -17.7 -4.7 27.1 15.1 82 94 H Y < - 0 0 9 -3,-1.6 7,-0.1 7,-0.1 8,-0.1 -0.561 59.0-159.1 -72.2 133.5 -2.3 29.8 16.3 83 95 H V > - 0 0 84 5,-0.5 3,-1.7 -2,-0.3 5,-0.1 -0.959 23.6-114.5-114.2 118.4 -4.0 33.1 17.2 84 96 H P T 3 S+ 0 0 91 0, 0.0 3,-0.1 0, 0.0 -43,-0.1 -0.157 101.4 24.8 -53.5 137.6 -1.8 36.3 17.2 85 97 H G T 3 S+ 0 0 68 1,-0.3 2,-0.2 -44,-0.1 -44,-0.0 0.486 110.0 89.7 85.3 4.2 -1.5 37.9 20.7 86 98 H T S < S- 0 0 68 -3,-1.7 -1,-0.3 2,-0.1 -45,-0.0 -0.640 73.3-129.1-121.3-178.6 -2.1 34.5 22.4 87 99 H T > + 0 0 35 -2,-0.2 3,-0.5 -3,-0.1 -46,-0.1 0.658 65.7 104.2-109.2 -23.0 0.2 31.6 23.5 88 100 H N T 3 S+ 0 0 44 1,-0.2 -5,-0.5 -5,-0.1 3,-0.1 -0.363 87.5 12.0 -69.8 147.4 -1.2 28.3 22.2 89 101 H H T 3 S+ 0 0 15 1,-0.2 2,-1.9 -7,-0.1 -1,-0.2 0.905 77.8 179.7 57.1 46.7 0.4 26.5 19.2 90 102 H D < + 0 0 2 -3,-0.5 2,-0.3 84,-0.2 136,-0.2 -0.510 32.2 115.3 -84.8 75.0 3.4 28.8 19.4 91 103 H I - 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