==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 11-AUG-07 2QXJ . COMPND 2 MOLECULE: KALLIKREIN-7; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.DEBELA,P.HESS,V.MAGDOLEN,N.M.SCHECHTER,W.BODE,P.GOETTIG . 225 2 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10346.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 140 62.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 73 32.4 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 . 4 1.8 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 . 1 0.4 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 . 16 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 15 6.7 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 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 2 2 3 4 2 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 1 0 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 1 0, 0.0 2,-0.4 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 128.4 -3.1 1.2 7.2 2 17 A I B -A 170 0A 7 168,-3.3 168,-1.3 1,-0.2 122,-0.1 -0.808 360.0 -5.0 -99.0 132.3 -6.8 1.9 7.3 3 18 A D S S+ 0 0 87 120,-0.5 -1,-0.2 -2,-0.4 166,-0.1 0.854 103.4 123.4 59.6 39.2 -8.3 5.3 8.4 4 19 A G - 0 0 38 -3,-0.4 133,-0.2 133,-0.1 -1,-0.1 -0.207 52.7-126.2-109.7-157.7 -4.8 6.6 9.3 5 20 A A E -B 136 0B 55 131,-2.4 131,-3.4 -2,-0.1 3,-0.1 -0.971 40.1 -73.8-150.7 158.6 -2.7 9.6 8.3 6 21 A P E -B 135 0B 86 0, 0.0 129,-0.3 0, 0.0 3,-0.1 -0.325 55.7-115.3 -57.1 131.5 0.9 10.2 7.0 7 22 A a - 0 0 11 127,-3.1 2,-0.2 1,-0.1 127,-0.1 -0.369 38.5 -92.4 -66.2 149.8 3.4 9.6 9.8 8 23 A A > - 0 0 71 1,-0.1 3,-2.1 2,-0.1 4,-0.2 -0.454 56.4 -94.1 -64.4 130.3 5.3 12.7 10.8 9 24 A R T 3 S+ 0 0 137 1,-0.3 -1,-0.1 -2,-0.2 44,-0.0 -0.125 106.0 8.2 -47.9 134.9 8.6 12.7 8.8 10 25 A G T 3 S+ 0 0 31 2,-0.1 -1,-0.3 1,-0.1 -2,-0.1 0.531 93.0 112.7 71.1 6.3 11.5 11.1 10.6 11 26 A S S < S+ 0 0 50 -3,-2.1 -2,-0.1 1,-0.2 3,-0.1 0.517 78.3 47.3 -87.1 -2.7 9.4 9.8 13.5 12 27 A H > + 0 0 20 -4,-0.2 3,-1.1 1,-0.1 -1,-0.2 -0.432 57.3 148.2-136.1 63.2 10.0 6.2 12.3 13 28 A P T 3 S+ 0 0 19 0, 0.0 87,-0.8 0, 0.0 39,-0.3 0.651 77.1 55.2 -70.4 -16.0 13.7 5.7 11.6 14 29 A W T 3 S+ 0 0 45 85,-0.2 16,-2.5 87,-0.1 2,-0.3 0.440 84.6 103.7 -95.2 -2.8 13.5 2.0 12.7 15 30 A Q E < +I 29 0C 5 -3,-1.1 37,-0.4 14,-0.2 2,-0.3 -0.626 48.8 176.2 -80.1 135.3 10.7 1.2 10.3 16 31 A V E -I 28 0C 0 12,-2.7 12,-1.2 -2,-0.3 2,-0.4 -0.846 19.9-136.7-131.7 170.9 11.8 -0.7 7.2 17 32 A A E -IJ 27 50C 0 33,-1.6 33,-2.6 -2,-0.3 2,-0.6 -0.987 8.4-139.4-132.3 141.9 10.1 -2.2 4.2 18 33 A L E -IJ 26 49C 0 8,-2.8 7,-2.8 -2,-0.4 8,-1.5 -0.899 28.8-167.9-100.8 123.3 10.5 -5.6 2.5 19 34 A L E -IJ 24 48C 6 29,-1.9 29,-1.4 -2,-0.6 2,-0.9 -0.842 30.6-143.6-116.6 150.4 10.4 -5.2 -1.2 20 35 A S E > S-I 23 0C 75 3,-2.6 2,-1.2 -2,-0.3 3,-1.1 -0.742 86.0 -57.4-105.1 75.0 10.1 -7.7 -4.1 21 36 A G T 3 S- 0 0 50 -2,-0.9 -2,-0.1 1,-0.2 3,-0.0 -0.729 123.8 -15.1 88.9 -94.9 12.3 -5.6 -6.3 22 38 A N T 3 S+ 0 0 112 -2,-1.2 2,-0.4 2,-0.1 -1,-0.2 0.508 117.5 92.3-118.0 -14.2 10.4 -2.3 -6.3 23 39 A Q E < S-I 20 0C 134 -3,-1.1 -3,-2.6 1,-0.1 0, 0.0 -0.725 79.6-113.5 -92.9 131.5 7.0 -3.4 -5.0 24 40 A L E +I 19 0C 32 -2,-0.4 -5,-0.2 -5,-0.2 3,-0.1 -0.301 38.7 166.1 -58.4 136.5 6.2 -3.3 -1.3 25 41 A H E - 0 0 74 -7,-2.8 2,-0.3 1,-0.5 149,-0.2 0.692 60.6 -24.6-117.5 -49.7 5.7 -6.8 0.3 26 42 A b E -I 18 0C 5 -8,-1.5 -8,-2.8 149,-0.1 -1,-0.5 -0.910 56.1-115.6-154.2 177.5 5.8 -6.2 4.1 27 43 A G E +I 17 0C 1 149,-3.5 12,-0.4 -2,-0.3 2,-0.3 -0.465 34.1 163.8-109.5-173.5 7.0 -3.8 6.8 28 44 A G E -I 16 0C 0 -12,-1.2 -12,-2.7 -2,-0.2 2,-0.4 -0.961 30.3-106.2 174.5 176.0 9.5 -4.6 9.5 29 45 A V E -IK 15 37C 0 8,-2.6 8,-3.2 -2,-0.3 2,-0.6 -0.977 24.7-121.4-130.2 142.9 11.8 -3.0 12.1 30 46 A L E - K 0 36C 1 -16,-2.5 72,-1.8 -2,-0.4 6,-0.3 -0.714 25.0-179.7 -82.5 120.1 15.6 -2.7 12.3 31 47 A V E - 0 0 12 4,-3.6 2,-0.3 -2,-0.6 -1,-0.2 0.903 66.9 -29.2 -83.8 -49.6 16.9 -4.4 15.4 32 48 A N E > S- K 0 35C 29 3,-1.2 3,-1.0 69,-0.1 -1,-0.4 -0.886 88.0 -61.2-153.4-178.0 20.6 -3.5 14.7 33 49 A E T 3 S+ 0 0 68 -2,-0.3 60,-1.0 1,-0.3 3,-0.1 0.645 134.8 22.6 -46.9 -19.3 23.0 -2.9 11.9 34 50 A R T 3 S+ 0 0 121 58,-0.2 55,-2.5 1,-0.1 2,-0.5 0.447 108.6 79.2-131.2 -0.7 22.3 -6.4 10.5 35 51 A W E < -KL 32 88C 2 -3,-1.0 -4,-3.6 53,-0.2 -3,-1.2 -0.941 44.7-175.7-122.8 129.3 19.0 -7.6 11.8 36 52 A V E -KL 30 87C 0 51,-1.9 51,-2.7 -2,-0.5 2,-0.5 -0.947 15.4-150.2-114.9 134.2 15.5 -6.8 10.7 37 53 A L E +KL 29 86C 0 -8,-3.2 -8,-2.6 -2,-0.4 2,-0.2 -0.922 33.6 144.1-106.1 129.8 12.5 -8.2 12.6 38 54 A T E - L 0 85C 0 47,-3.0 47,-2.9 -2,-0.5 2,-0.2 -0.811 51.9 -61.7-148.0-173.3 9.4 -8.9 10.6 39 55 A A > - 0 0 0 -12,-0.4 3,-1.5 45,-0.3 45,-0.3 -0.553 36.9-132.7 -81.0 144.6 6.5 -11.4 10.3 40 56 A A G > S+ 0 0 0 1,-0.3 3,-1.4 -2,-0.2 -1,-0.1 0.814 107.4 59.9 -65.7 -29.9 7.2 -15.0 9.6 41 57 A H G 3 S+ 0 0 42 1,-0.3 -1,-0.3 39,-0.1 135,-0.0 0.493 91.3 72.1 -78.3 2.9 4.5 -15.1 6.9 42 58 A b G < S+ 0 0 0 -3,-1.5 -1,-0.3 2,-0.1 -2,-0.2 0.370 71.4 141.8 -93.8 2.4 6.5 -12.3 5.1 43 59 A K < + 0 0 87 -3,-1.4 2,-0.3 2,-0.0 -3,-0.0 -0.070 24.9 177.1 -47.7 140.6 9.2 -14.8 4.2 44 60 A M - 0 0 25 1,-0.0 3,-0.2 23,-0.0 -2,-0.1 -0.942 41.8-121.0-142.1 159.9 10.8 -14.4 0.7 45 61 A N S S+ 0 0 157 1,-0.3 2,-0.3 -2,-0.3 -2,-0.0 0.707 102.8 1.7 -76.1 -19.0 13.6 -16.2 -1.1 46 62 A E S S- 0 0 124 22,-0.0 2,-0.3 2,-0.0 -1,-0.3 -0.913 74.9-150.5-165.9 137.7 15.4 -12.8 -1.3 47 63 A Y E - M 0 66C 1 19,-2.9 19,-1.9 -2,-0.3 2,-0.6 -0.844 13.8-152.9-119.2 155.1 14.6 -9.3 -0.0 48 64 A T E -JM 19 65C 44 -29,-1.4 -29,-1.9 -2,-0.3 2,-0.5 -0.943 29.5-152.8-121.1 100.1 15.3 -5.7 -1.0 49 65 A V E -JM 18 64C 0 15,-2.9 15,-2.1 -2,-0.6 2,-0.4 -0.687 3.2-151.2 -86.4 124.5 15.1 -3.9 2.3 50 66 A H E +JM 17 63C 2 -33,-2.6 -33,-1.6 -2,-0.5 2,-0.3 -0.780 24.9 164.3 -93.0 131.8 14.1 -0.2 2.3 51 67 A L E + M 0 62C 1 11,-2.1 11,-3.1 -2,-0.4 -35,-0.1 -0.976 44.7 38.0-144.4 154.3 15.6 2.0 5.1 52 69 A G S S+ 0 0 15 -37,-0.4 2,-0.3 46,-0.4 47,-0.1 0.525 94.7 68.9 87.7 6.0 16.0 5.7 5.8 53 70 A S - 0 0 10 -38,-0.2 -1,-0.1 -41,-0.1 4,-0.1 -0.989 61.3-142.6-159.1 149.4 12.8 7.3 4.4 54 71 A D S S+ 0 0 6 -2,-0.3 80,-1.8 1,-0.1 2,-0.6 0.603 92.0 73.2 -82.3 -12.6 9.1 7.6 4.9 55 72 A T B > S-O 133 0D 26 78,-0.2 3,-1.6 -3,-0.0 2,-0.3 -0.913 80.9-136.1-110.0 119.3 8.6 7.6 1.2 56 73 A L T 3 S+ 0 0 33 76,-2.8 3,-0.1 -2,-0.6 -2,-0.1 -0.539 95.6 29.6 -68.9 130.4 9.1 4.3 -0.7 57 74 A G T 3 S+ 0 0 48 1,-0.3 -1,-0.3 -2,-0.3 2,-0.1 0.462 82.4 156.8 97.1 1.4 11.1 5.0 -3.9 58 75 A D X - 0 0 25 -3,-1.6 3,-0.7 1,-0.2 -1,-0.3 -0.415 43.0-140.9 -61.7 133.0 13.0 7.9 -2.2 59 78 A R T 3 S+ 0 0 215 1,-0.2 -1,-0.2 -2,-0.1 -3,-0.0 0.799 103.2 53.0 -66.9 -28.2 16.3 8.5 -4.0 60 79 A R T 3 S+ 0 0 166 2,-0.1 -1,-0.2 -8,-0.0 -2,-0.1 0.639 89.8 108.9 -80.9 -15.8 18.0 9.1 -0.7 61 80 A A S < S- 0 0 10 -3,-0.7 2,-0.4 -6,-0.1 -9,-0.2 -0.198 71.2-118.5 -64.0 152.3 16.7 5.8 0.8 62 81 A Q E -M 51 0C 22 -11,-3.1 -11,-2.1 32,-0.1 2,-0.5 -0.755 21.8-166.6 -93.6 137.7 18.9 2.8 1.5 63 82 A R E -M 50 0C 133 -2,-0.4 2,-0.4 -13,-0.2 -13,-0.2 -0.884 11.8-179.5-128.6 99.6 18.2 -0.4 -0.4 64 83 A I E -M 49 0C 10 -15,-2.1 -15,-2.9 -2,-0.5 2,-0.2 -0.796 23.7-124.1-103.6 140.9 20.1 -3.5 1.1 65 84 A K E -M 48 0C 117 -2,-0.4 25,-2.4 -17,-0.2 26,-0.6 -0.514 25.0-172.0 -82.0 147.3 20.0 -7.0 -0.2 66 85 A A E +MN 47 89C 0 -19,-1.9 -19,-2.9 23,-0.2 23,-0.1 -0.995 22.3 159.0-142.1 133.6 18.9 -9.9 2.1 67 86 A S E + 0 0 62 21,-0.6 2,-0.5 -2,-0.3 22,-0.1 0.484 60.0 77.1-128.1 -15.4 19.1 -13.7 1.4 68 87 A K E + N 0 88C 95 20,-0.7 20,-2.1 -21,-0.1 2,-0.4 -0.885 51.5 170.7-106.5 128.1 19.0 -15.1 5.0 69 88 A S E - N 0 87C 15 -2,-0.5 2,-0.5 18,-0.2 18,-0.2 -0.994 15.6-161.6-135.7 140.7 15.8 -15.3 7.0 70 89 A F E - N 0 86C 47 16,-3.6 16,-2.4 -2,-0.4 2,-0.1 -0.882 9.2-163.9-128.5 101.1 15.2 -17.1 10.3 71 90 A R E - N 0 85C 91 -2,-0.5 14,-0.2 14,-0.3 12,-0.1 -0.454 38.4 -91.2 -80.4 153.0 11.6 -17.8 11.3 72 91 A H > - 0 0 33 12,-2.0 3,-2.2 10,-0.3 -1,-0.1 -0.433 36.9-124.5 -60.1 134.9 10.7 -18.8 14.8 73 92 A P T 3 S+ 0 0 112 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.725 109.2 56.6 -57.5 -20.2 10.9 -22.6 15.0 74 93 A G T 3 S+ 0 0 32 8,-0.1 2,-0.1 2,-0.1 7,-0.1 0.345 74.8 131.3 -94.4 7.3 7.3 -22.6 16.3 75 94 A Y < - 0 0 31 -3,-2.2 2,-0.5 9,-0.1 7,-0.2 -0.382 42.3-155.9 -63.6 133.7 5.7 -20.7 13.3 76 95 A S > - 0 0 28 5,-1.7 4,-2.1 -2,-0.1 5,-0.1 -0.952 16.4-161.7-115.6 122.4 2.6 -22.4 12.0 77 96 A T T 4 S+ 0 0 91 -2,-0.5 -1,-0.1 1,-0.2 -2,-0.0 0.547 95.8 51.0 -76.2 -4.8 1.5 -21.8 8.4 78 97 A Q T 4 S+ 0 0 172 3,-0.1 -1,-0.2 -3,-0.0 -3,-0.0 0.812 128.6 14.0 -99.9 -37.4 -1.9 -23.1 9.4 79 98 A T T 4 S- 0 0 48 2,-0.1 -2,-0.2 76,-0.0 77,-0.2 0.509 89.7-134.9-113.6 -12.1 -2.6 -21.1 12.5 80 99 A H >< + 0 0 39 -4,-2.1 3,-0.6 1,-0.2 -3,-0.1 0.646 46.6 158.8 64.5 16.4 0.1 -18.4 12.1 81 100 A V T 3 + 0 0 13 1,-0.2 -5,-1.7 -7,-0.1 -1,-0.2 -0.359 64.1 25.1 -65.0 152.3 1.0 -18.7 15.8 82 101 A N T 3 S+ 0 0 23 75,-0.6 2,-2.2 -7,-0.2 -10,-0.3 0.884 79.0 179.9 57.5 44.9 4.5 -17.4 16.4 83 102 A D < + 0 0 1 -3,-0.6 2,-0.3 -8,-0.1 124,-0.2 -0.439 35.4 108.5 -78.9 72.0 4.4 -15.1 13.4 84 103 A L + 0 0 2 -2,-2.2 -12,-2.0 -45,-0.3 2,-0.3 -0.997 36.9 175.2-147.0 150.0 7.9 -13.6 13.6 85 104 A M E -LN 38 71C 0 -47,-2.9 -47,-3.0 -2,-0.3 2,-0.4 -0.993 22.5-136.6-156.5 144.5 11.1 -13.8 11.7 86 105 A L E -LN 37 70C 0 -16,-2.4 -16,-3.6 -2,-0.3 2,-0.5 -0.868 16.9-158.1-104.6 137.1 14.6 -12.3 11.7 87 106 A V E -LN 36 69C 0 -51,-2.7 -51,-1.9 -2,-0.4 2,-0.4 -0.971 12.6-137.2-119.5 122.6 16.1 -11.3 8.3 88 107 A K E -LN 35 68C 30 -20,-2.1 -20,-0.7 -2,-0.5 -21,-0.6 -0.640 17.4-129.2 -81.8 127.6 19.9 -11.0 8.1 89 108 A L E - 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