==== 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 20-OCT-05 2BDG . COMPND 2 MOLECULE: KALLIKREIN-4; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.DEBELA,W.BODE,P.GOETTIG,STRUCTURAL PROTEOMICS IN EUROPE (S . 446 2 12 12 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19461.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 278 62.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 139 31.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 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 . 2 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 . 34 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 47 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 28 6.3 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 1 1 2 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 . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 5 6 2 10 5 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 1 0 1 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 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 3,-0.6 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 119.2 31.7 35.7 -7.2 2 17 A I B 3 -A 171 0A 11 169,-2.9 169,-1.1 1,-0.2 124,-0.1 -0.694 360.0 -13.5 -86.0 126.5 35.5 34.9 -7.3 3 18 A N T 3 S+ 0 0 78 -2,-0.5 -1,-0.2 167,-0.2 2,-0.1 0.808 100.5 125.4 56.3 38.4 36.5 31.3 -8.3 4 19 A G < - 0 0 25 -3,-0.6 2,-0.3 134,-0.1 134,-0.2 -0.241 53.3-119.1-104.9-162.1 33.0 29.8 -8.1 5 20 A E E -B 137 0B 153 132,-2.4 132,-3.0 -2,-0.1 2,-0.1 -0.878 39.3 -77.1-135.1 166.8 31.0 27.8 -10.6 6 21 A D E -B 136 0B 106 -2,-0.3 130,-0.2 130,-0.2 2,-0.1 -0.446 54.4-122.6 -61.1 139.7 27.6 28.3 -12.3 7 22 A a - 0 0 5 128,-2.9 3,-0.1 1,-0.1 -1,-0.1 -0.502 33.4 -95.1 -77.5 158.8 25.0 27.3 -9.7 8 23 A S > - 0 0 86 -2,-0.1 3,-2.2 1,-0.1 4,-0.2 -0.563 61.7 -83.5 -70.7 139.6 22.7 24.6 -10.9 9 24 A P T 3 S- 0 0 85 0, 0.0 -1,-0.1 0, 0.0 45,-0.1 -0.194 109.7 -2.4 -49.2 127.5 19.6 26.3 -12.3 10 25 A H T 3 S+ 0 0 55 43,-0.3 44,-0.1 2,-0.1 -2,-0.0 0.614 89.3 127.5 65.1 19.4 17.2 27.3 -9.5 11 26 A S S < S+ 0 0 45 -3,-2.2 -1,-0.1 1,-0.3 3,-0.1 0.603 75.0 47.6 -80.1 -10.1 19.2 25.7 -6.7 12 27 A Q S > S+ 0 0 25 -4,-0.2 3,-2.3 1,-0.1 -1,-0.3 -0.598 71.1 170.6-127.4 68.3 19.1 29.0 -4.7 13 28 A P T 3 S+ 0 0 6 0, 0.0 90,-1.2 0, 0.0 39,-0.2 0.611 71.8 60.8 -55.9 -17.8 15.4 29.8 -5.0 14 29 A W T 3 S+ 0 0 23 88,-0.2 16,-2.6 -3,-0.1 2,-0.2 0.488 77.2 117.8 -88.5 -7.6 15.5 32.6 -2.5 15 30 A Q E < -G 29 0C 7 -3,-2.3 37,-0.7 14,-0.2 2,-0.4 -0.417 44.5-170.8 -65.9 130.3 18.0 34.6 -4.7 16 31 A A E -GH 28 51C 0 12,-2.2 12,-2.0 -2,-0.2 2,-0.5 -0.965 14.4-143.0-123.7 141.1 16.6 38.0 -5.8 17 32 A A E -GH 27 50C 0 33,-2.8 33,-2.9 -2,-0.4 2,-0.8 -0.876 4.8-152.1-102.8 130.6 18.1 40.3 -8.4 18 33 A L E +GH 26 49C 1 8,-2.6 7,-1.5 -2,-0.5 8,-1.2 -0.910 36.1 177.7 -99.7 105.4 17.8 44.1 -7.7 19 34 A V E -GH 24 48C 25 29,-2.2 29,-0.7 -2,-0.8 5,-0.2 -0.766 30.7-160.5-120.8 163.4 17.9 45.4 -11.3 20 35 A M - 0 0 70 3,-3.3 27,-0.0 -2,-0.3 -1,-0.0 -0.408 51.7 -85.3-114.4-168.2 17.7 48.5 -13.4 21 36 A E S S+ 0 0 170 -2,-0.2 3,-0.0 1,-0.1 -2,-0.0 0.858 125.6 12.5 -72.2 -34.3 16.8 48.8 -17.1 22 37 A N S S+ 0 0 149 1,-0.1 2,-0.2 0, 0.0 -1,-0.1 0.806 123.9 43.0-109.4 -44.4 20.5 48.2 -18.0 23 38 A E - 0 0 104 2,-0.0 -3,-3.3 0, 0.0 2,-0.5 -0.519 57.7-136.2-110.3 172.8 22.3 47.0 -14.9 24 40 A L E +G 19 0C 20 -5,-0.2 -5,-0.2 -2,-0.2 3,-0.1 -0.998 26.6 172.1-121.4 115.5 22.2 44.7 -11.9 25 41 A F E - 0 0 34 -7,-1.5 2,-0.3 -2,-0.5 150,-0.3 0.659 59.2 -9.2-104.1 -17.3 23.5 46.6 -8.9 26 42 A b E -G 18 0C 5 -8,-1.2 -8,-2.6 150,-0.1 -1,-0.3 -0.974 56.1-129.3-164.9 171.2 22.8 44.2 -6.0 27 43 A S E -G 17 0C 0 150,-3.2 12,-0.5 -2,-0.3 2,-0.3 -0.707 20.4-169.4-121.0 176.5 21.0 41.0 -5.0 28 44 A G E -G 16 0C 0 -12,-2.0 -12,-2.2 -2,-0.2 2,-0.4 -0.860 19.3-114.9-152.3-176.7 18.7 40.4 -2.1 29 45 A V E -GI 15 37C 0 8,-2.9 8,-3.5 -2,-0.3 2,-0.7 -0.992 17.6-128.4-137.1 128.3 17.1 37.4 -0.4 30 46 A L E + I 0 36C 0 -16,-2.6 75,-2.1 -2,-0.4 6,-0.2 -0.625 36.0 162.6 -74.3 116.3 13.4 36.4 -0.2 31 47 A V E + 0 0 23 4,-2.0 -1,-0.2 -2,-0.7 5,-0.2 0.406 68.5 13.5-114.3 -0.9 12.8 35.8 3.5 32 48 A H E > S- I 0 35C 58 3,-1.2 3,-1.3 74,-0.1 -1,-0.3 -0.952 87.1 -99.4-165.5 154.3 9.0 36.0 3.4 33 49 A P T 3 S+ 0 0 35 0, 0.0 63,-2.8 0, 0.0 61,-0.1 0.791 125.3 29.7 -53.4 -28.5 6.5 36.0 0.6 34 50 A Q T 3 S+ 0 0 52 61,-0.2 58,-2.5 1,-0.1 2,-0.4 0.323 113.4 71.7-115.0 10.2 6.2 39.7 0.7 35 51 A W E < -IJ 32 91C 14 -3,-1.3 -4,-2.0 56,-0.2 -3,-1.2 -0.978 50.3-168.9-135.8 132.0 9.7 40.7 1.9 36 52 A V E -IJ 30 90C 1 54,-2.6 54,-3.2 -2,-0.4 2,-0.4 -0.947 16.7-147.5-113.3 133.4 13.2 40.7 0.3 37 53 A L E +IJ 29 89C 0 -8,-3.5 -8,-2.9 -2,-0.5 2,-0.3 -0.782 29.5 153.3 -98.8 139.6 16.2 41.3 2.6 38 54 A S E - J 0 88C 0 50,-2.5 50,-2.2 -2,-0.4 2,-0.3 -0.902 49.1 -70.7-151.3-178.8 19.2 43.1 1.2 39 55 A A > - 0 0 0 -12,-0.5 3,-2.0 -2,-0.3 48,-0.3 -0.593 39.6-128.4 -78.5 142.3 22.1 45.2 2.2 40 56 A A G > S+ 0 0 0 1,-0.3 3,-1.5 -2,-0.3 -1,-0.1 0.787 107.4 66.0 -62.8 -25.2 21.2 48.8 3.3 41 57 A H G 3 S+ 0 0 68 1,-0.3 -1,-0.3 42,-0.1 136,-0.0 0.519 90.0 67.3 -75.5 0.7 23.8 50.2 0.9 42 58 A b G < S+ 0 0 1 -3,-2.0 -1,-0.3 2,-0.0 -2,-0.2 0.276 76.5 143.8 -98.3 9.1 21.6 48.8 -2.0 43 59 A F < + 0 0 29 -3,-1.5 2,-0.3 403,-0.1 -3,-0.0 -0.123 18.6 164.4 -53.9 143.1 18.8 51.3 -1.2 44 60 A Q - 0 0 70 1,-0.0 3,-0.1 26,-0.0 -2,-0.0 -0.950 47.6-115.2-151.8 157.0 16.7 52.8 -3.9 45 61 A N S S+ 0 0 110 -2,-0.3 2,-0.3 1,-0.2 27,-0.1 0.822 101.9 2.0 -67.3 -30.8 13.4 54.7 -3.8 46 62 A S S S- 0 0 81 25,-0.1 2,-0.3 -3,-0.0 24,-0.3 -0.979 73.9-153.4-151.3 159.0 11.8 51.9 -5.8 47 63 A Y E - K 0 69C 10 22,-3.2 22,-1.6 -2,-0.3 2,-0.6 -0.952 20.0-144.9-138.3 156.1 13.0 48.6 -7.2 48 64 A T E -HK 19 68C 47 -29,-0.7 -29,-2.2 -2,-0.3 2,-0.5 -0.987 34.1-161.8-114.9 112.5 12.3 46.1 -9.9 49 65 A I E -HK 18 67C 0 18,-3.3 18,-3.2 -2,-0.6 2,-0.6 -0.895 6.3-153.1-107.0 123.6 13.1 42.8 -8.2 50 66 A G E +HK 17 66C 0 -33,-2.9 -33,-2.8 -2,-0.5 2,-0.3 -0.838 15.5 179.3-101.6 118.4 13.8 39.6 -10.1 51 67 A L E +HK 16 65C 0 14,-2.7 14,-2.5 -2,-0.6 -35,-0.1 -0.890 61.9 26.4-116.4 146.4 13.0 36.2 -8.6 52 69 A G S S+ 0 0 4 -37,-0.7 11,-0.2 -2,-0.3 -1,-0.2 0.694 87.2 143.1 79.0 23.9 13.4 32.7 -10.0 53 70 A L + 0 0 12 -38,-0.4 -43,-0.3 -3,-0.3 -1,-0.2 -0.485 30.3 166.3 -94.7 162.1 16.2 33.8 -12.3 54 71 A H S S+ 0 0 22 1,-1.4 81,-1.4 -2,-0.2 2,-0.2 0.358 85.3 28.3-134.3 -62.6 19.4 32.1 -13.4 55 72 A S B S-M 134 0D 13 79,-0.2 -1,-1.4 2,-0.2 79,-0.2 -0.551 97.4-113.6 -87.8 168.3 20.5 34.2 -16.4 56 73 A L S S+ 0 0 55 77,-0.6 2,-0.9 -2,-0.2 78,-0.1 0.455 89.4 102.4 -84.9 1.9 19.2 37.8 -15.8 57 74 A E > - 0 0 110 1,-0.2 3,-1.7 2,-0.0 4,-0.2 -0.763 59.9-158.4 -89.1 108.4 16.8 37.6 -18.8 58 74AA A G > S+ 0 0 31 -2,-0.9 3,-1.6 1,-0.3 6,-0.3 0.778 86.6 62.7 -54.6 -33.3 13.3 37.1 -17.4 59 75 A D G 3 S+ 0 0 131 1,-0.3 -1,-0.3 3,-0.0 -2,-0.0 0.690 92.6 65.9 -69.1 -16.9 11.9 35.6 -20.6 60 76 A Q G < S+ 0 0 108 -3,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.576 97.4 60.8 -80.6 -7.6 14.3 32.7 -20.4 61 77 A E X - 0 0 29 -3,-1.6 3,-2.1 -4,-0.2 -1,-0.2 -0.907 64.7-164.2-125.3 102.2 12.5 31.6 -17.2 62 78 A P T 3 S+ 0 0 136 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.707 94.6 45.1 -55.5 -22.8 8.8 30.6 -17.5 63 79 A G T 3 S+ 0 0 36 -11,-0.2 38,-0.1 2,-0.0 -10,-0.1 0.337 83.9 124.7-104.6 5.9 8.5 30.8 -13.7 64 80 A S < - 0 0 29 -3,-2.1 2,-0.5 -6,-0.3 -12,-0.2 -0.355 45.0-155.4 -69.1 148.0 10.4 34.0 -13.1 65 81 A Q E -K 51 0C 47 -14,-2.5 -14,-2.7 -2,-0.1 2,-0.7 -0.975 6.1-167.9-129.5 113.6 8.6 36.8 -11.2 66 82 A M E -K 50 0C 77 -2,-0.5 2,-0.3 -16,-0.2 -16,-0.2 -0.921 22.9-176.6-100.7 114.3 9.7 40.4 -11.8 67 83 A V E -K 49 0C 26 -18,-3.2 -18,-3.3 -2,-0.7 2,-0.2 -0.894 22.1-128.4-123.3 148.7 8.1 42.4 -9.0 68 84 A E E +K 48 0C 97 -2,-0.3 25,-2.5 -20,-0.2 26,-0.4 -0.602 26.6 173.1 -92.4 151.1 7.9 46.1 -8.1 69 85 A A E +KL 47 92C 1 -22,-1.6 -22,-3.2 23,-0.2 23,-0.2 -0.981 18.2 167.0-154.0 144.1 8.6 47.5 -4.6 70 86 A S E + 0 0 77 21,-0.6 2,-0.7 -2,-0.3 22,-0.1 0.390 56.1 88.8-137.7 -6.0 8.9 51.0 -3.2 71 87 A L E + L 0 91C 78 20,-0.8 20,-2.6 2,-0.0 2,-0.4 -0.866 50.5 176.8-102.8 116.6 8.9 50.6 0.6 72 88 A S E - L 0 90C 21 -2,-0.7 2,-0.6 18,-0.2 18,-0.2 -0.949 16.3-164.7-117.9 138.7 12.3 50.0 2.2 73 89 A V E - L 0 89C 45 16,-2.9 16,-3.1 -2,-0.4 2,-0.2 -0.921 13.7-166.7-122.4 101.1 13.0 49.7 5.9 74 90 A R E - L 0 88C 26 -2,-0.6 14,-0.3 14,-0.3 12,-0.1 -0.556 36.4 -95.6 -82.5 149.6 16.7 50.1 6.6 75 91 A H > - 0 0 26 12,-2.4 3,-1.8 10,-0.3 -1,-0.1 -0.493 34.6-127.4 -65.0 136.9 18.1 49.2 10.0 76 92 A P T 3 S+ 0 0 11 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.665 106.7 52.3 -60.8 -17.0 18.1 52.4 12.0 77 93 A E T > S+ 0 0 34 8,-0.1 3,-2.3 242,-0.0 7,-0.1 0.267 76.8 145.0-103.8 11.1 21.8 51.9 12.9 78 94 A Y T < S+ 0 0 37 -3,-1.8 7,-0.2 1,-0.3 8,-0.1 -0.237 74.4 7.4 -51.1 131.3 23.0 51.4 9.4 79 95 A N T 3 S+ 0 0 61 5,-3.0 -1,-0.3 2,-0.2 6,-0.1 0.612 93.6 141.0 69.6 13.3 26.5 52.9 8.8 80 96 A R S < S+ 0 0 55 -3,-2.3 2,-0.2 4,-0.3 -1,-0.1 -0.913 79.4 18.3-130.0 103.9 26.9 53.6 12.6 81 97 A P S > S- 0 0 73 0, 0.0 3,-2.6 0, 0.0 -2,-0.2 0.640 135.5 -68.4 -74.1-178.4 29.7 53.0 13.0 82 98 A L T 3 S- 0 0 101 1,-0.3 -2,-0.1 -2,-0.2 -3,-0.1 -0.018 115.9 -5.6 -41.3 125.1 31.1 53.0 9.5 83 99 A L T 3 S+ 0 0 54 1,-0.2 3,-0.3 -4,-0.1 -1,-0.3 0.286 102.3 130.3 71.7 -3.9 29.7 50.2 7.4 84 100 A A < + 0 0 1 -3,-2.6 -5,-3.0 1,-0.2 -4,-0.3 -0.255 54.2 26.9 -81.4 166.9 27.9 48.4 10.2 85 101 A N S S- 0 0 12 -7,-0.2 2,-1.7 1,-0.2 -10,-0.3 0.922 73.2-178.5 52.3 51.3 24.3 47.2 10.5 86 102 A D + 0 0 7 73,-0.3 2,-0.3 -3,-0.3 -1,-0.2 -0.476 32.7 105.6 -84.9 67.6 24.2 46.6 6.8 87 103 A L + 0 0 0 -2,-1.7 -12,-2.4 -48,-0.3 2,-0.3 -0.993 36.4 178.7-146.1 156.8 20.6 45.4 6.2 88 104 A M E -JL 38 74C 0 -50,-2.2 -50,-2.5 -2,-0.3 2,-0.5 -0.985 21.8-135.6-154.4 140.9 17.3 46.6 4.8 89 105 A L E -JL 37 73C 0 -16,-3.1 -16,-2.9 -2,-0.3 2,-0.6 -0.915 15.4-159.5-104.6 128.3 13.9 45.0 4.3 90 106 A I E -JL 36 72C 1 -54,-3.2 -54,-2.6 -2,-0.5 2,-0.7 -0.933 8.7-148.1-107.7 118.4 12.1 45.7 1.0 91 107 A K E -JL 35 71C 77 -20,-2.6 -20,-0.8 -2,-0.6 -21,-0.6 -0.792 17.3-135.4 -88.9 118.0 8.4 45.1 1.1 92 108 A L E - 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