==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 06-JUN-01 1JBU . COMPND 2 MOLECULE: COAGULATION FACTOR VII; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.EIGENBROT,D.KIRCHHOFER,M.S.DENNIS,L.SANTELL,R.A.LAZARUS,J. . 308 5 9 8 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14435.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 183 59.4 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 . 81 26.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 0.3 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 6.2 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 . 23 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 . 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 4 0 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 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 . 2 2 4 3 1 4 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 20 H K 0 0 192 0, 0.0 4,-0.1 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 131.2 20.1 14.4 18.7 2 21 H V + 0 0 28 2,-0.1 292,-0.1 4,-0.1 289,-0.1 0.948 360.0 48.7 -62.2 -51.8 23.0 14.1 16.3 3 22 H a S > S- 0 0 0 1,-0.1 3,-2.5 290,-0.1 5,-0.2 -0.722 106.1 -94.1 -93.4 142.4 21.4 16.2 13.6 4 23 H P G > S- 0 0 28 0, 0.0 3,-2.3 0, 0.0 -1,-0.1 -0.334 107.7 -10.6 -58.4 121.6 19.8 19.6 14.5 5 24 H K G 3 S- 0 0 141 1,-0.3 3,-0.1 -2,-0.1 124,-0.1 0.689 125.2 -69.1 59.6 19.8 16.1 19.2 15.2 6 25 H G G < S+ 0 0 3 -3,-2.5 2,-0.8 1,-0.2 -1,-0.3 0.632 105.4 129.9 74.9 14.5 16.6 15.7 13.8 7 26 H E < - 0 0 12 -3,-2.3 -1,-0.2 122,-0.1 124,-0.1 -0.848 45.9-156.2-105.3 98.4 17.2 17.1 10.3 8 27 H a > - 0 0 7 -2,-0.8 3,-1.9 -5,-0.2 45,-0.2 -0.576 17.7-132.2 -74.3 132.7 20.4 15.6 8.8 9 28 H P T 3 S+ 0 0 6 0, 0.0 92,-1.2 0, 0.0 44,-0.2 0.682 103.7 55.0 -59.7 -18.3 21.8 17.9 6.1 10 29 H W T 3 S+ 0 0 0 90,-0.2 16,-2.6 92,-0.1 93,-0.2 0.442 81.5 115.2 -92.6 -4.8 22.3 15.0 3.6 11 30 H Q E < -A 25 0A 5 -3,-1.9 42,-0.5 14,-0.2 2,-0.4 -0.477 47.4-164.6 -70.7 139.7 18.7 13.9 3.8 12 31 H V E -A 24 0A 0 12,-2.2 12,-1.5 -2,-0.2 2,-0.5 -0.949 11.7-151.3-126.5 141.4 16.6 14.2 0.6 13 32 H L E -AB 23 51A 21 38,-2.2 38,-2.8 -2,-0.4 2,-0.5 -0.971 13.5-151.3-111.8 125.6 12.9 14.1 0.1 14 33 H L E -AB 22 50A 0 8,-3.1 7,-3.0 -2,-0.5 8,-1.1 -0.876 16.3-173.9-101.1 127.3 11.7 12.8 -3.3 15 34 H L E -AB 20 49A 31 34,-3.0 34,-3.0 -2,-0.5 2,-0.4 -0.935 14.7-166.4-121.7 147.2 8.4 14.1 -4.6 16 35 H V E > S-A 19 0A 13 3,-2.4 3,-2.4 -2,-0.4 32,-0.1 -0.997 85.7 -11.1-130.9 121.5 6.3 13.2 -7.7 17 37 H N T 3 S- 0 0 52 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.847 129.9 -59.9 56.8 29.8 3.5 15.6 -8.6 18 38 H G T 3 S+ 0 0 60 1,-0.3 2,-0.3 31,-0.0 -1,-0.3 0.378 114.0 118.2 80.7 -4.5 4.2 17.2 -5.2 19 39 H A E < S-A 16 0A 54 -3,-2.4 -3,-2.4 1,-0.1 -1,-0.3 -0.722 74.8 -97.9 -97.8 146.1 3.4 14.0 -3.3 20 40 H Q E +A 15 0A 73 -2,-0.3 -5,-0.2 -5,-0.2 3,-0.1 -0.395 45.8 163.9 -63.1 126.5 5.9 12.1 -1.1 21 41 H L E - 0 0 38 -7,-3.0 2,-0.3 1,-0.5 -6,-0.2 0.811 56.6 -47.2-106.5 -53.8 7.5 9.2 -3.0 22 42 H b E -A 14 0A 5 -8,-1.1 -8,-3.1 155,-0.1 -1,-0.5 -0.931 51.1-100.2-168.1 179.3 10.6 8.3 -1.0 23 43 H G E +A 13 0A 0 156,-3.5 12,-0.4 153,-0.5 2,-0.3 -0.502 34.6 178.8-107.1-179.7 13.7 9.6 0.8 24 44 H G E -A 12 0A 0 -12,-1.5 -12,-2.2 -2,-0.2 2,-0.4 -0.967 24.6-110.8-168.9 178.4 17.3 9.6 -0.4 25 45 H T E -AC 11 33A 1 8,-2.4 8,-3.0 -2,-0.3 2,-0.3 -0.988 18.9-136.1-131.8 128.0 20.8 10.7 0.5 26 46 H L E + C 0 32A 0 -16,-2.6 77,-2.7 -2,-0.4 6,-0.2 -0.647 24.0 174.0 -77.6 130.1 22.9 13.4 -1.1 27 47 H I - 0 0 12 4,-2.6 78,-0.4 1,-0.4 2,-0.3 0.488 68.8 -14.1-114.8 -8.1 26.5 12.1 -1.7 28 48 H N S S- 0 0 49 3,-1.0 -1,-0.4 76,-0.1 3,-0.2 -0.922 92.8 -70.1-173.3 179.7 27.9 15.2 -3.6 29 49 H T S S+ 0 0 57 -2,-0.3 65,-2.2 1,-0.2 63,-0.1 0.693 128.5 25.7 -62.7 -16.8 26.4 18.3 -5.3 30 50 H I S S+ 0 0 52 63,-0.2 60,-2.8 1,-0.1 2,-0.4 0.600 108.0 73.5-122.6 -12.5 24.8 16.4 -8.1 31 51 H W E - D 0 89A 32 58,-0.2 -4,-2.6 -3,-0.2 -3,-1.0 -0.876 47.1-176.5-117.6 140.1 24.2 12.8 -7.0 32 52 H V E -CD 26 88A 0 56,-2.3 56,-3.2 -2,-0.4 2,-0.5 -0.974 15.4-145.6-128.9 138.5 21.6 11.3 -4.7 33 53 H V E +CD 25 87A 0 -8,-3.0 -8,-2.4 -2,-0.4 54,-0.2 -0.914 32.4 147.6-109.3 131.1 21.3 7.6 -3.6 34 54 H S E - D 0 86A 0 52,-2.8 52,-2.3 -2,-0.5 2,-0.4 -0.600 47.5 -71.5-138.9-163.5 17.9 6.1 -3.0 35 55 H A > - 0 0 0 -12,-0.4 3,-1.2 50,-0.3 50,-0.3 -0.862 25.0-137.8-106.2 141.3 16.2 2.7 -3.3 36 56 H A G > S+ 0 0 0 -2,-0.4 3,-2.4 1,-0.2 -1,-0.1 0.844 100.1 68.0 -61.5 -34.9 15.2 1.0 -6.6 37 57 H H G > S+ 0 0 51 1,-0.3 3,-1.6 2,-0.2 4,-0.3 0.707 82.8 75.4 -62.9 -16.3 11.8 -0.1 -5.2 38 58 H b G < S+ 0 0 8 -3,-1.2 -1,-0.3 1,-0.3 3,-0.2 0.655 98.1 47.2 -67.3 -15.2 10.8 3.5 -5.2 39 59 H F G < S+ 0 0 0 -3,-2.4 -1,-0.3 -4,-0.1 -2,-0.2 0.191 77.7 105.6-113.2 18.4 10.5 3.2 -8.9 40 60 H D S < S+ 0 0 18 -3,-1.6 2,-0.5 1,-0.2 -1,-0.1 0.829 84.7 38.7 -64.7 -37.4 8.5 -0.0 -9.1 41 60AH K + 0 0 163 -4,-0.3 2,-0.5 -3,-0.2 -1,-0.2 -0.958 67.6 168.5-123.0 114.2 5.2 1.7 -10.0 42 60BH I + 0 0 2 -2,-0.5 270,-2.0 -3,-0.1 2,-0.3 -0.972 10.7 145.1-129.6 119.7 5.2 4.7 -12.4 43 60CH K - 0 0 152 -2,-0.5 268,-0.1 268,-0.2 266,-0.1 -0.933 69.5 -4.8-156.8 124.4 2.1 6.2 -13.9 44 60DH N S S+ 0 0 110 266,-0.4 2,-0.4 -2,-0.3 264,-0.1 0.832 76.1 166.4 62.9 36.9 1.2 9.7 -14.7 45 61 H W - 0 0 19 262,-0.4 265,-0.3 265,-0.4 -1,-0.2 -0.717 19.7-176.1 -82.3 132.1 4.4 11.3 -13.3 46 62 H R - 0 0 162 -2,-0.4 2,-0.3 1,-0.2 262,-0.3 0.574 67.9 -20.8-101.7 -12.7 4.8 14.9 -14.4 47 63 H N - 0 0 32 260,-0.2 2,-0.3 259,-0.1 -1,-0.2 -0.947 51.4-126.5-172.8-177.7 8.1 15.2 -12.7 48 64 H L - 0 0 2 -2,-0.3 19,-2.9 -32,-0.1 2,-0.4 -0.860 31.5-171.3-152.3 110.2 10.5 13.9 -10.0 49 65 H I E -BE 15 66A 30 -34,-3.0 -34,-3.0 -2,-0.3 2,-0.5 -0.919 15.3-151.5-115.0 136.1 11.8 16.5 -7.6 50 66 H A E -BE 14 65A 0 15,-3.1 15,-2.4 -2,-0.4 2,-0.5 -0.902 14.8-162.1-103.7 126.9 14.5 16.3 -4.9 51 67 H V E +BE 13 64A 11 -38,-2.8 -38,-2.2 -2,-0.5 2,-0.3 -0.948 12.8 176.8-114.2 131.6 13.9 18.6 -1.9 52 68 H L E + E 0 63A 2 11,-3.0 11,-2.2 -2,-0.5 -40,-0.1 -0.870 32.5 23.4-129.5 163.2 16.8 19.4 0.5 53 69 H G E S+ E 0 62A 9 -42,-0.5 2,-0.4 46,-0.5 9,-0.2 -0.394 95.4 3.7 90.2-163.9 17.4 21.6 3.5 54 70 H E + 0 0 56 7,-2.1 -2,-0.1 1,-0.2 5,-0.1 -0.496 54.3 152.7 -68.5 119.6 15.4 23.2 6.3 55 71 H H 0 0 57 -2,-0.4 -1,-0.2 1,-0.2 6,-0.1 0.372 360.0 360.0-126.9 -3.5 11.8 22.2 6.1 56 72 H D 0 0 118 2,-0.0 -1,-0.2 72,-0.0 -49,-0.1 -0.961 360.0 360.0-162.1 360.0 10.8 22.5 9.7 57 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 58 76 H H 0 0 224 0, 0.0 2,-0.9 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 106.5 9.7 30.1 5.9 59 77 H D > + 0 0 163 1,-0.2 3,-1.3 -5,-0.1 -5,-0.1 0.008 360.0 147.8 71.5 -30.1 11.8 29.9 2.7 60 78 H G T 3 S- 0 0 37 -2,-0.9 -1,-0.2 1,-0.2 -6,-0.1 -0.122 73.3 -29.2 -46.1 109.3 14.8 29.5 5.0 61 79 H D T 3 S+ 0 0 46 1,-0.2 -7,-2.1 -3,-0.1 2,-0.4 0.819 92.9 140.1 49.0 48.8 17.5 27.2 3.5 62 80 H E E < -E 53 0A 97 -3,-1.3 2,-0.4 -9,-0.2 -9,-0.2 -0.973 25.8-175.9-121.6 132.7 15.4 25.0 1.3 63 81 H Q E -E 52 0A 26 -11,-2.2 -11,-3.0 -2,-0.4 2,-0.4 -0.972 7.5-162.5-128.8 143.3 16.4 23.9 -2.2 64 82 H S E -E 51 0A 60 -2,-0.4 2,-0.4 -13,-0.2 -13,-0.2 -0.950 7.0-174.0-125.3 145.3 14.6 21.9 -4.9 65 83 H R E -E 50 0A 54 -15,-2.4 -15,-3.1 -2,-0.4 2,-0.1 -0.991 25.6-125.2-143.5 129.6 16.0 20.1 -7.9 66 84 H R E -E 49 0A 152 -2,-0.4 25,-2.2 -17,-0.2 2,-0.7 -0.488 33.0-124.5 -66.4 139.9 14.5 18.3 -10.8 67 85 H V E -F 90 0A 1 -19,-2.9 23,-0.3 23,-0.2 3,-0.1 -0.831 22.7-169.2 -92.5 117.8 15.9 14.8 -11.1 68 86 H A E + 0 0 5 21,-1.8 2,-0.3 -2,-0.7 22,-0.2 0.871 64.5 4.1 -73.1 -38.9 17.4 14.2 -14.5 69 87 H Q E -F 89 0A 7 20,-1.5 20,-2.7 2,-0.0 2,-0.4 -0.999 50.7-156.8-156.1 146.6 18.0 10.5 -14.4 70 88 H V E -Fg 88 235A 0 164,-2.2 166,-2.6 -2,-0.3 2,-0.4 -0.990 14.7-168.0-123.9 129.5 17.5 7.4 -12.2 71 89 H I E -Fg 87 236A 1 16,-2.5 16,-2.5 -2,-0.4 166,-0.2 -0.977 4.6-177.0-123.8 127.2 19.7 4.3 -12.6 72 90 H I E - g 0 237A 1 164,-2.4 166,-2.6 -2,-0.4 14,-0.2 -0.887 33.7 -97.1-118.7 152.0 19.0 0.9 -11.1 73 91 H P E > - g 0 238A 0 0, 0.0 3,-1.6 0, 0.0 12,-0.1 -0.366 23.5-124.6 -71.1 150.7 21.1 -2.2 -11.2 74 92 H S T 3 S+ 0 0 36 164,-2.2 163,-0.0 1,-0.3 226,-0.0 0.796 110.2 61.2 -60.9 -27.7 20.5 -5.0 -13.8 75 93 H T T 3 S+ 0 0 43 163,-0.3 -1,-0.3 2,-0.0 2,-0.2 0.567 80.1 106.5 -76.7 -13.4 20.2 -7.4 -10.9 76 94 H Y < - 0 0 12 -3,-1.6 7,-0.1 7,-0.1 5,-0.1 -0.510 49.7-169.0 -70.6 138.6 17.3 -5.7 -9.2 77 95 H V > - 0 0 72 5,-0.4 3,-2.3 3,-0.3 5,-0.2 -0.984 27.5-114.5-130.9 120.2 13.9 -7.4 -9.5 78 96 H P T 3 S+ 0 0 67 0, 0.0 3,-0.1 0, 0.0 -41,-0.0 -0.232 102.6 23.0 -52.6 134.3 10.6 -5.6 -8.6 79 97 H G T 3 S+ 0 0 58 1,-0.2 2,-0.4 3,-0.0 75,-0.0 0.229 100.6 104.0 93.6 -15.6 9.0 -7.3 -5.5 80 98 H T S < S- 0 0 11 -3,-2.3 2,-1.7 2,-0.1 -3,-0.3 -0.862 71.2-133.5-104.0 134.4 12.3 -8.8 -4.3 81 99 H T S S+ 0 0 33 68,-0.5 2,-0.3 -2,-0.4 118,-0.1 -0.585 73.3 92.4 -84.4 75.0 14.1 -7.4 -1.3 82 100 H N S S+ 0 0 2 -2,-1.7 -5,-0.4 -5,-0.2 3,-0.1 -0.966 79.3 15.5-161.8 152.2 17.6 -7.5 -2.9 83 101 H H S S+ 0 0 5 -2,-0.3 2,-1.9 1,-0.2 -7,-0.1 0.798 74.9 170.5 48.7 35.1 19.9 -5.1 -4.9 84 102 H D + 0 0 2 77,-0.1 2,-0.3 -49,-0.1 129,-0.2 -0.485 25.0 115.9 -82.6 80.8 17.6 -2.3 -3.7 85 103 H I - 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