==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 20-OCT-05 2BDH . COMPND 2 MOLECULE: KALLIKREIN-4; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.DEBELA,W.BODE,P.GOETTIG,STRUCTURAL PROTEOMICS IN EUROPE . 892 4 24 24 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37583.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 535 60.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 0.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 255 28.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 15 1.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 3 0.3 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 . 74 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 86 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 55 6.2 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 1 3 1 3 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 . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 16 13 6 19 5 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 . 0 1 3 1 2 4 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 2,-0.5 0, 0.0 3,-0.5 0.000 360.0 360.0 360.0 124.0 22.2 34.8 27.5 2 17 A I B -A 171 0A 12 169,-2.7 169,-1.1 1,-0.2 124,-0.1 -0.821 360.0 -6.2-100.0 128.9 24.4 37.9 27.9 3 18 A N S S+ 0 0 79 -2,-0.5 -1,-0.2 167,-0.2 2,-0.1 0.857 101.3 126.8 59.3 39.8 22.8 41.2 29.2 4 19 A G - 0 0 22 -3,-0.5 2,-0.3 134,-0.1 134,-0.2 -0.023 48.2-131.5-101.9-150.9 19.3 39.8 29.2 5 20 A E E -B 137 0B 146 132,-1.5 132,-2.6 -2,-0.1 2,-0.7 -0.873 36.9 -65.9-153.9-177.9 16.7 39.7 32.0 6 21 A D E -B 136 0B 106 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.708 54.1-126.9 -82.9 116.5 14.3 37.3 33.7 7 22 A a - 0 0 4 128,-2.3 3,-0.1 -2,-0.7 -1,-0.1 -0.221 37.1 -90.0 -56.3 152.7 11.7 36.2 31.2 8 23 A S > - 0 0 85 1,-0.2 3,-2.2 2,-0.1 4,-0.3 -0.509 66.0 -79.0 -64.7 130.0 8.1 36.8 32.5 9 24 A P T 3 S- 0 0 98 0, 0.0 -1,-0.2 0, 0.0 45,-0.1 -0.008 114.4 -10.2 -33.8 106.3 7.2 33.5 34.2 10 25 A H T 3 S+ 0 0 48 2,-0.1 -2,-0.1 -3,-0.1 44,-0.1 0.845 87.8 140.8 64.9 39.1 6.3 31.2 31.3 11 26 A S S < S+ 0 0 40 -3,-2.2 -1,-0.1 1,-0.3 43,-0.0 0.623 74.5 47.6 -82.1 -17.7 6.3 33.9 28.7 12 27 A Q > + 0 0 24 -4,-0.3 3,-1.8 1,-0.1 -1,-0.3 -0.653 69.4 171.5-123.5 72.4 8.0 31.4 26.3 13 28 A P T 3 S+ 0 0 22 0, 0.0 90,-2.7 0, 0.0 39,-0.2 0.375 74.0 60.3 -63.2 2.0 5.8 28.3 26.7 14 29 A W T 3 S+ 0 0 42 88,-0.2 16,-2.4 37,-0.1 91,-0.1 0.563 77.3 116.7-104.8 -13.9 7.5 26.5 23.8 15 30 A Q E < -G 29 0C 7 -3,-1.8 37,-0.6 14,-0.2 38,-0.3 -0.241 44.5-172.7 -58.5 137.0 10.9 26.6 25.4 16 31 A A E -GH 28 51C 0 12,-1.9 12,-1.9 35,-0.1 2,-0.4 -0.921 12.8-142.8-132.2 157.9 12.4 23.2 26.2 17 32 A A E -GH 27 50C 5 33,-1.0 33,-2.1 -2,-0.3 2,-0.6 -0.978 3.0-149.9-127.6 138.0 15.5 22.1 28.1 18 33 A L E -GH 26 49C 0 8,-3.5 7,-2.2 -2,-0.4 8,-1.5 -0.925 19.9-170.9-107.2 119.6 17.9 19.2 27.4 19 34 A V E -G 24 0C 34 29,-1.5 5,-0.2 -2,-0.6 29,-0.1 -0.924 13.3-178.2-119.2 137.3 19.5 17.6 30.5 20 35 A M - 0 0 72 3,-0.7 -1,-0.1 -2,-0.4 4,-0.0 0.592 68.7 -25.7 -92.2-116.1 22.3 15.0 30.8 21 36 A E S S- 0 0 145 1,-0.1 -2,-0.0 3,-0.0 0, 0.0 0.919 123.1 -34.6 -66.2 -95.3 23.4 13.9 34.2 22 37 A N S S+ 0 0 167 2,-0.0 2,-0.1 -3,-0.0 -1,-0.1 0.436 123.9 73.7-109.2 -5.3 22.6 16.5 36.8 23 38 A E S S- 0 0 112 0, 0.0 -3,-0.7 0, 0.0 2,-0.4 -0.343 76.4-118.6-102.9-176.4 23.3 19.5 34.6 24 40 A L E +G 19 0C 14 -5,-0.2 -5,-0.2 -2,-0.1 3,-0.1 -0.994 30.2 166.5-125.2 127.3 21.6 21.3 31.6 25 41 A F E + 0 0 41 -7,-2.2 150,-0.3 -2,-0.4 2,-0.3 0.708 58.4 12.6-114.8 -30.8 23.4 21.4 28.3 26 42 A b E -G 18 0C 7 -8,-1.5 -8,-3.5 150,-0.1 -1,-0.2 -0.920 55.7-138.4-142.4 169.6 20.9 22.6 25.6 27 43 A S E -G 17 0C 0 150,-2.6 12,-0.4 -2,-0.3 -10,-0.3 -0.661 20.6-169.5-116.5 178.8 17.5 24.1 25.0 28 44 A G E -G 16 0C 0 -12,-1.9 -12,-1.9 -2,-0.2 2,-0.4 -0.917 18.8-117.1-157.5 179.6 14.9 23.2 22.4 29 45 A V E -GI 15 37C 0 8,-2.6 8,-3.2 -2,-0.3 2,-1.0 -0.987 18.6-131.6-136.1 125.7 11.6 24.3 20.9 30 46 A L E + I 0 36C 4 -16,-2.4 75,-2.2 -2,-0.4 6,-0.2 -0.630 37.0 160.4 -76.2 103.4 8.3 22.5 21.0 31 47 A V E S+ 0 0 20 4,-1.3 -1,-0.2 -2,-1.0 5,-0.2 0.316 70.4 15.0-105.1 4.3 7.2 22.6 17.4 32 48 A H E > S- I 0 35C 65 3,-1.2 3,-1.3 74,-0.1 -1,-0.3 -0.908 82.5-106.7-173.5 145.8 4.7 19.7 17.8 33 49 A P T 3 S+ 0 0 33 0, 0.0 63,-0.5 0, 0.0 61,-0.1 0.681 126.1 27.3 -54.8 -16.7 3.1 17.9 20.7 34 50 A Q T 3 S+ 0 0 44 61,-0.2 58,-2.7 1,-0.1 2,-0.4 0.307 116.1 72.7-126.0 3.9 5.4 15.0 20.0 35 51 A W E < -IJ 32 91C 18 -3,-1.3 -4,-1.3 56,-0.3 -3,-1.2 -0.978 52.2-168.8-132.0 134.6 8.3 16.8 18.4 36 52 A V E -IJ 30 90C 0 54,-3.3 54,-3.7 -2,-0.4 2,-0.4 -0.943 13.9-147.2-117.9 136.8 11.1 19.1 19.7 37 53 A L E +IJ 29 89C 0 -8,-3.2 -8,-2.6 -2,-0.4 2,-0.2 -0.871 31.8 144.5-106.0 137.4 13.4 21.1 17.5 38 54 A S E - J 0 88C 0 50,-2.9 50,-2.4 -2,-0.4 2,-0.4 -0.844 50.4 -66.7-152.5-171.5 17.0 21.8 18.5 39 55 A A > - 0 0 0 -12,-0.4 3,-2.1 48,-0.3 48,-0.2 -0.769 38.1-131.5 -92.6 132.6 20.5 22.2 17.3 40 56 A A G > S+ 0 0 1 -2,-0.4 3,-2.4 1,-0.3 -1,-0.1 0.839 103.8 67.3 -48.7 -41.3 22.2 19.2 15.8 41 57 A H G 3 S+ 0 0 45 1,-0.3 -1,-0.3 42,-0.1 136,-0.0 0.464 90.9 68.1 -65.5 6.7 25.4 19.6 17.9 42 58 A b G < S+ 0 0 1 -3,-2.1 -1,-0.3 2,-0.1 -2,-0.2 0.185 74.2 147.3-105.9 13.5 23.1 18.8 20.8 43 59 A F < + 0 0 74 -3,-2.4 2,-0.3 2,-0.0 3,-0.1 -0.152 18.9 172.2 -52.8 142.1 22.7 15.2 19.6 44 60 A Q - 0 0 50 26,-0.1 3,-0.1 1,-0.1 -2,-0.1 -0.980 42.1-128.8-153.9 141.5 22.2 12.5 22.3 45 61 A N S S+ 0 0 126 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.809 101.4 11.6 -61.0 -28.5 21.4 8.8 22.1 46 62 A S S S- 0 0 80 -3,-0.1 24,-0.3 25,-0.0 2,-0.2 -0.994 76.3-155.7-149.9 146.1 18.7 9.5 24.6 47 63 A Y E - K 0 69C 2 22,-2.9 22,-1.1 -2,-0.3 2,-0.3 -0.701 17.0-154.8-122.3 174.1 17.2 12.7 26.0 48 64 A T E - K 0 68C 40 -2,-0.2 -29,-1.5 20,-0.2 2,-0.5 -0.790 24.7-163.7-147.2 92.7 15.3 14.1 29.0 49 65 A I E -HK 18 67C 0 18,-1.2 2,-0.6 -2,-0.3 18,-0.6 -0.729 6.6-155.0 -91.1 127.9 13.3 17.1 28.0 50 66 A G E -HK 17 66C 2 -33,-2.1 -33,-1.0 -2,-0.5 3,-0.3 -0.882 17.8-175.3-102.4 115.3 11.9 19.6 30.6 51 67 A L E +H 16 0C 1 14,-1.6 14,-0.4 -2,-0.6 -35,-0.1 -0.700 58.1 21.7-108.3 159.4 8.8 21.5 29.5 52 69 A G S S+ 0 0 4 -37,-0.6 2,-0.5 -2,-0.2 -1,-0.2 0.875 85.2 141.7 56.0 42.3 6.8 24.3 31.1 53 70 A L + 0 0 15 -38,-0.3 -1,-0.2 -3,-0.3 3,-0.1 -0.959 34.7 174.3-121.6 121.8 9.7 25.4 33.3 54 71 A H S S+ 0 0 25 -2,-0.5 81,-2.6 1,-0.2 2,-0.3 0.780 89.1 25.5 -86.2 -33.4 10.6 29.0 34.2 55 72 A S B S-M 134 0D 11 79,-0.2 2,-0.5 2,-0.2 -1,-0.2 -0.904 92.8-110.6-124.6 154.8 13.2 27.6 36.5 56 73 A L S S+ 0 0 77 77,-0.9 2,-0.7 -2,-0.3 3,-0.1 0.020 87.1 109.9 -76.9 32.6 14.9 24.2 36.2 57 74 A E > - 0 0 84 -2,-0.5 4,-0.6 1,-0.1 3,-0.2 -0.848 47.3-173.5-111.8 93.1 13.0 23.1 39.4 58 74AA A T 4 S+ 0 0 47 -2,-0.7 3,-0.2 1,-0.2 -1,-0.1 0.761 88.1 54.2 -56.4 -24.6 10.4 20.5 38.3 59 75 A D T 4 S+ 0 0 116 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.0 0.903 104.4 49.6 -77.2 -44.6 9.1 20.7 41.9 60 76 A Q T 4 S+ 0 0 118 -3,-0.2 -1,-0.2 1,-0.2 -2,-0.2 0.467 103.6 75.0 -73.5 -0.2 8.6 24.5 42.0 61 77 A E < - 0 0 22 -4,-0.6 3,-0.3 -3,-0.2 -1,-0.2 -0.808 58.1-177.9-118.8 90.2 6.7 24.0 38.8 62 78 A P S S+ 0 0 130 0, 0.0 2,-1.0 0, 0.0 -1,-0.2 0.894 83.1 49.0 -50.7 -45.7 3.2 22.5 39.3 63 79 A G S S+ 0 0 36 -11,-0.1 2,-0.3 2,-0.0 36,-0.0 -0.703 86.7 108.7-102.7 83.8 2.6 22.5 35.6 64 80 A S - 0 0 26 -2,-1.0 2,-0.5 -3,-0.3 -12,-0.2 -0.969 48.5-151.6-155.9 136.9 5.7 20.9 34.0 65 81 A Q - 0 0 73 -14,-0.4 -14,-1.6 -2,-0.3 2,-1.5 -0.938 3.6-160.7-118.0 116.1 6.4 17.6 32.3 66 82 A M E +K 50 0C 84 -2,-0.5 -16,-0.2 -16,-0.2 -17,-0.0 -0.482 32.1 174.6 -87.6 64.7 9.9 16.0 32.4 67 83 A V E -K 49 0C 22 -2,-1.5 -18,-1.2 -18,-0.6 2,-0.3 -0.121 16.6-144.7 -67.6 169.5 9.3 13.7 29.4 68 84 A E E +K 48 0C 110 -20,-0.2 25,-2.5 -18,-0.0 2,-0.3 -0.829 18.9 169.7-131.6 168.2 11.9 11.5 27.8 69 85 A A E -K 47 0C 2 -22,-1.1 -22,-2.9 -2,-0.3 23,-0.1 -0.967 23.0-168.0-168.4 170.7 12.8 10.3 24.3 70 86 A S + 0 0 70 21,-0.5 2,-0.6 -2,-0.3 22,-0.1 0.441 62.6 92.8-144.3 -20.9 15.4 8.5 22.3 71 87 A L E +L 91 0C 89 20,-0.6 20,-2.6 2,-0.0 2,-0.4 -0.747 47.8 163.8 -88.1 119.0 14.6 9.0 18.6 72 88 A S E -L 90 0C 16 -2,-0.6 2,-0.6 18,-0.2 18,-0.2 -0.981 24.0-154.2-140.0 124.8 16.3 12.1 17.2 73 89 A V E -L 89 0C 49 16,-3.0 16,-2.4 -2,-0.4 2,-0.3 -0.876 9.5-160.3-103.8 114.4 16.8 13.0 13.5 74 90 A R E -L 88 0C 104 -2,-0.6 14,-0.2 14,-0.2 12,-0.1 -0.629 37.1 -92.3 -88.8 147.7 19.8 15.2 12.6 75 91 A H > - 0 0 25 12,-1.8 3,-2.4 -2,-0.3 -1,-0.1 -0.391 30.1-129.8 -61.1 132.1 19.8 17.0 9.3 76 92 A P T 3 S+ 0 0 96 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.719 108.9 50.4 -52.2 -27.2 21.6 14.9 6.6 77 93 A E T > S+ 0 0 91 8,-0.1 3,-1.6 2,-0.0 -2,-0.1 0.088 78.9 143.9-101.3 19.6 23.7 17.9 5.7 78 94 A Y T < S+ 0 0 56 -3,-2.4 7,-0.2 1,-0.3 8,-0.1 -0.352 74.8 2.9 -62.8 139.0 24.8 18.8 9.3 79 95 A N T 3 S+ 0 0 34 5,-2.1 -1,-0.3 2,-0.1 6,-0.1 0.524 96.0 130.7 63.1 9.2 28.3 20.1 9.5 80 96 A R S < S+ 0 0 139 -3,-1.6 2,-0.2 4,-0.2 -1,-0.1 -0.831 82.8 26.6-134.7 95.4 28.7 20.0 5.7 81 97 A P S > S- 0 0 57 0, 0.0 3,-2.4 0, 0.0 -1,-0.1 0.485 134.1 -86.4 -59.6 165.6 29.8 22.8 5.3 82 98 A L T 3 S+ 0 0 9 1,-0.3 -2,-0.2 -2,-0.2 3,-0.1 -0.166 111.1 1.6 -50.6 130.1 31.3 23.1 8.7 83 99 A L T 3 S+ 0 0 3 1,-0.2 3,-0.4 2,-0.1 -1,-0.3 0.284 106.5 128.9 73.0 -9.7 28.8 24.3 11.3 84 100 A A < + 0 0 0 -3,-2.4 -5,-2.1 1,-0.2 -1,-0.2 -0.089 58.0 21.4 -74.5 172.0 26.2 24.4 8.6 85 101 A N S S+ 0 0 14 -7,-0.2 2,-1.7 1,-0.2 -10,-0.2 0.828 75.3 177.6 38.9 47.6 22.7 23.0 8.6 86 102 A D + 0 0 4 -3,-0.4 2,-0.3 73,-0.3 -1,-0.2 -0.556 31.0 106.3 -84.6 82.1 22.7 22.9 12.4 87 103 A L - 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