==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 20-FEB-02 1L2E . COMPND 2 MOLECULE: KALLIKREIN 6; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.J.BERNETT,S.I.BLABER,I.A.SCARISBRICK,M.BLABER . 221 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10529.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 138 62.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 76 34.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.9 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 . 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 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 14 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 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 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 . 3 1 3 6 1 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 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 L 0 0 1 0, 0.0 3,-0.4 0, 0.0 125,-0.4 0.000 360.0 360.0 360.0 123.9 -39.0 -48.8 35.7 2 17 A V B +A 170 0A 7 168,-2.4 168,-1.5 123,-0.3 123,-0.1 -0.725 360.0 5.9 -97.6 140.9 -41.1 -49.5 38.8 3 18 A H S S+ 0 0 87 -2,-0.3 -1,-0.2 166,-0.2 166,-0.2 0.649 102.2 106.4 70.1 19.2 -40.5 -48.3 42.4 4 19 A G - 0 0 33 -3,-0.4 133,-0.2 166,-0.1 -1,-0.2 -0.020 58.8-130.2-103.4-149.3 -37.5 -46.1 41.4 5 20 A G E -B 136 0B 23 131,-2.0 131,-3.3 -3,-0.1 2,-0.1 -0.957 38.5 -56.9-158.1 172.4 -37.2 -42.4 41.2 6 21 A P E -B 135 0B 94 0, 0.0 129,-0.2 0, 0.0 128,-0.1 -0.330 56.2-123.7 -61.3 133.3 -35.9 -39.6 38.9 7 22 A a - 0 0 10 127,-2.3 2,-0.3 47,-0.1 127,-0.0 -0.293 30.6 -95.4 -70.8 161.0 -32.3 -40.0 37.9 8 23 A D > - 0 0 116 1,-0.1 3,-1.5 2,-0.0 4,-0.3 -0.606 39.0-120.4 -73.9 140.9 -29.8 -37.2 38.5 9 24 A K T 3 S+ 0 0 53 1,-0.3 3,-0.3 -2,-0.3 -1,-0.1 0.740 108.3 41.7 -57.3 -27.6 -29.6 -35.2 35.3 10 25 A T T 3 S+ 0 0 81 1,-0.2 -1,-0.3 2,-0.1 -2,-0.0 0.341 94.1 82.2-104.6 8.7 -25.9 -35.8 34.7 11 26 A S S < S+ 0 0 42 -3,-1.5 -1,-0.2 1,-0.2 -2,-0.1 0.462 87.4 50.9 -93.1 -0.3 -25.7 -39.5 35.6 12 27 A H > + 0 0 10 -3,-0.3 3,-1.7 -4,-0.3 -1,-0.2 -0.239 51.8 142.4-133.6 51.3 -26.8 -41.1 32.4 13 28 A P T 3 S+ 0 0 21 0, 0.0 89,-1.5 0, 0.0 39,-0.3 0.698 77.5 56.2 -63.5 -17.2 -24.8 -39.6 29.4 14 29 A Y T 3 S+ 0 0 19 87,-0.2 16,-2.7 -3,-0.1 2,-0.3 0.494 81.6 112.2 -92.1 -6.3 -24.9 -43.1 27.8 15 30 A Q E < -J 29 0C 1 -3,-1.7 37,-0.5 14,-0.2 38,-0.4 -0.542 46.4-169.5 -75.8 127.8 -28.7 -43.4 27.7 16 31 A A E -JK 28 51C 0 12,-2.5 12,-1.3 -2,-0.3 2,-0.5 -0.850 13.5-144.0-113.9 150.2 -30.4 -43.4 24.4 17 32 A A E -JK 27 50C 0 33,-2.2 33,-2.6 -2,-0.3 2,-0.5 -0.967 12.9-151.9-112.4 129.9 -34.1 -43.1 23.7 18 33 A L E -JK 26 49C 0 8,-3.3 7,-3.5 -2,-0.5 8,-1.7 -0.918 17.3-172.9-106.9 125.3 -35.5 -45.1 20.7 19 34 A Y E +JK 24 48C 42 29,-3.0 29,-2.5 -2,-0.5 2,-0.3 -0.833 14.6 175.1-117.7 154.2 -38.6 -43.8 19.0 20 35 A T E > S+J 23 0C 25 3,-2.1 3,-2.0 -2,-0.3 27,-0.1 -0.962 74.9 4.0-154.8 137.9 -40.9 -45.0 16.3 21 36 A S T 3 S- 0 0 116 -2,-0.3 3,-0.1 25,-0.3 26,-0.1 0.802 131.2 -59.2 54.6 31.0 -44.2 -43.3 15.1 22 38 A G T 3 S+ 0 0 64 1,-0.2 2,-0.4 26,-0.0 -1,-0.3 0.510 116.9 99.7 80.1 6.0 -43.5 -40.4 17.4 23 39 A H E < S-J 20 0C 143 -3,-2.0 -3,-2.1 0, 0.0 -1,-0.2 -0.946 79.2-104.0-128.3 147.0 -43.4 -42.4 20.6 24 40 A L E +J 19 0C 38 -2,-0.4 -5,-0.3 -5,-0.2 3,-0.1 -0.466 38.7 169.7 -66.4 134.3 -40.7 -43.9 22.8 25 41 A L E - 0 0 51 -7,-3.5 2,-0.3 1,-0.4 149,-0.3 0.670 58.1 -11.7-114.4 -35.1 -40.4 -47.6 22.2 26 42 A b E -J 18 0C 3 -8,-1.7 -8,-3.3 149,-0.1 -1,-0.4 -0.957 57.2-113.6-158.6 172.6 -37.2 -48.5 24.0 27 43 A G E -J 17 0C 1 149,-2.9 12,-0.4 -2,-0.3 2,-0.3 -0.498 33.1-174.7-103.3 178.5 -34.0 -47.4 25.7 28 44 A G E -J 16 0C 0 -12,-1.3 -12,-2.5 -2,-0.2 2,-0.4 -0.959 20.8-117.5-164.7 171.1 -30.6 -48.0 24.3 29 45 A V E -JL 15 37C 0 8,-3.1 8,-3.2 -2,-0.3 2,-0.6 -0.976 14.9-137.2-128.9 123.2 -26.9 -47.6 25.2 30 46 A L E + L 0 36C 0 -16,-2.7 74,-2.1 -2,-0.4 6,-0.2 -0.638 33.2 162.5 -73.9 119.7 -24.3 -45.5 23.4 31 47 A I E + 0 0 24 4,-2.3 -1,-0.2 -2,-0.6 5,-0.2 0.400 67.8 9.4-117.9 -0.5 -21.2 -47.7 23.3 32 48 A H E > S- L 0 35C 66 3,-1.2 3,-2.3 70,-0.1 -1,-0.5 -0.907 84.8 -99.6-173.0 146.0 -19.4 -45.9 20.5 33 49 A P T 3 S+ 0 0 39 0, 0.0 62,-2.9 0, 0.0 60,-0.1 0.778 125.7 33.6 -44.4 -33.0 -19.9 -42.6 18.7 34 50 A L T 3 S+ 0 0 37 60,-0.2 57,-2.1 1,-0.1 2,-0.4 0.365 113.5 70.2-107.0 4.6 -21.5 -44.5 15.7 35 51 A W E < -LM 32 90C 2 -3,-2.3 -4,-2.3 55,-0.2 -3,-1.2 -0.971 48.0-173.2-137.6 133.3 -23.2 -47.3 17.7 36 52 A V E -LM 30 89C 0 53,-2.5 53,-2.8 -2,-0.4 2,-0.4 -0.966 18.4-149.2-117.2 126.3 -26.1 -47.8 20.0 37 53 A L E +LM 29 88C 0 -8,-3.2 -8,-3.1 -2,-0.5 2,-0.2 -0.771 32.1 145.0 -95.6 139.8 -26.6 -51.2 21.7 38 54 A T E - M 0 87C 0 49,-2.4 49,-2.4 -2,-0.4 2,-0.3 -0.873 50.0 -64.0-156.1-173.5 -30.2 -52.2 22.5 39 55 A A > - 0 0 0 -12,-0.4 3,-1.8 -2,-0.2 47,-0.3 -0.626 37.1-129.0 -86.1 145.6 -32.5 -55.2 22.6 40 56 A A G > S+ 0 0 2 1,-0.3 3,-1.4 -2,-0.3 -1,-0.1 0.787 106.2 65.7 -62.5 -28.0 -33.4 -57.1 19.5 41 57 A H G 3 S+ 0 0 65 1,-0.3 -1,-0.3 41,-0.1 135,-0.1 0.487 85.6 73.1 -76.3 2.5 -37.1 -56.9 20.3 42 58 A b G < + 0 0 0 -3,-1.8 2,-0.3 2,-0.0 -1,-0.3 0.315 68.8 128.1 -93.2 7.3 -36.9 -53.1 19.8 43 59 A K < + 0 0 107 -3,-1.4 -3,-0.0 4,-0.0 28,-0.0 -0.495 25.2 144.4 -69.8 126.8 -36.5 -53.6 16.1 44 60 A K > - 0 0 103 -2,-0.3 3,-0.6 0, 0.0 2,-0.1 -0.965 53.7 -91.2-154.0 155.3 -39.1 -51.5 14.1 45 61 A P T 3 S+ 0 0 91 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.497 104.9 14.6 -75.0 145.7 -38.8 -49.7 10.8 46 62 A N T 3 S- 0 0 135 1,-0.2 -25,-0.3 -2,-0.1 2,-0.1 0.911 80.6-171.0 62.8 48.2 -37.7 -46.1 10.9 47 63 A L < - 0 0 10 -3,-0.6 21,-0.7 -27,-0.1 2,-0.4 -0.441 9.4-150.7 -70.0 144.3 -36.2 -46.0 14.4 48 64 A Q E -KN 19 67C 57 -29,-2.5 -29,-3.0 19,-0.1 2,-0.5 -0.966 7.1-152.2-116.9 131.9 -35.3 -42.6 15.7 49 65 A V E -KN 18 66C 0 17,-2.9 17,-1.8 -2,-0.4 2,-0.5 -0.919 8.4-167.9-111.3 128.6 -32.4 -42.3 18.2 50 66 A F E -KN 17 65C 35 -33,-2.6 -33,-2.2 -2,-0.5 2,-0.3 -0.958 4.4-173.6-117.8 126.7 -32.2 -39.5 20.8 51 67 A L E +KN 16 64C 4 13,-3.2 13,-2.3 -2,-0.5 -35,-0.1 -0.768 65.0 31.4-113.1 160.1 -29.1 -38.8 22.9 52 69 A G S S+ 0 0 7 -37,-0.5 2,-0.3 48,-0.4 10,-0.2 0.741 82.9 142.9 67.8 23.4 -28.7 -36.4 25.7 53 70 A K + 0 0 13 -38,-0.4 -1,-0.2 -3,-0.3 3,-0.1 -0.708 16.2 152.5 -97.2 149.9 -32.3 -36.6 26.8 54 71 A H S S+ 0 0 35 1,-0.4 80,-2.2 -2,-0.3 2,-0.5 0.465 73.1 33.8-134.6 -59.3 -33.5 -36.5 30.4 55 72 A N B > -P 133 0D 33 78,-0.2 3,-1.1 3,-0.2 -1,-0.4 -0.927 65.3-157.5-108.2 121.3 -37.0 -35.1 30.5 56 73 A L T 3 S+ 0 0 44 76,-3.1 -1,-0.1 -2,-0.5 77,-0.1 0.702 90.1 57.3 -71.8 -19.6 -39.1 -36.1 27.4 57 74 A R T 3 S+ 0 0 198 75,-0.1 2,-0.4 2,-0.0 -1,-0.2 0.337 100.1 67.0 -94.8 7.7 -41.5 -33.2 27.8 58 75 A Q S < S- 0 0 116 -3,-1.1 2,-0.6 74,-0.2 -4,-0.2 -0.990 81.3-123.6-132.3 135.3 -38.8 -30.5 27.6 59 76 A R - 0 0 223 -2,-0.4 2,-0.4 -6,-0.1 -3,-0.1 -0.667 36.7-154.8 -75.8 117.8 -36.5 -29.4 24.8 60 77 A E > - 0 0 26 -2,-0.6 3,-1.8 -5,-0.1 -1,-0.0 -0.808 20.6-134.4-103.8 135.4 -33.1 -29.8 26.2 61 78 A S T 3 S+ 0 0 132 -2,-0.4 -1,-0.1 1,-0.3 -2,-0.0 0.739 106.2 49.9 -54.8 -25.0 -30.0 -27.9 25.1 62 79 A S T 3 S+ 0 0 21 -10,-0.2 -1,-0.3 2,-0.0 2,-0.1 0.493 82.0 116.4 -95.5 -4.9 -28.0 -31.2 25.1 63 80 A Q < - 0 0 56 -3,-1.8 2,-0.4 -11,-0.1 -11,-0.2 -0.423 39.5-174.9 -72.9 139.9 -30.3 -33.4 23.1 64 81 A E E -N 51 0C 78 -13,-2.3 -13,-3.2 -2,-0.1 2,-0.3 -0.993 9.5-151.1-132.5 138.0 -29.2 -34.8 19.7 65 82 A Q E +N 50 0C 122 -2,-0.4 2,-0.3 -15,-0.2 -15,-0.2 -0.765 15.2 178.9-108.9 155.7 -31.3 -36.8 17.2 66 83 A S E -N 49 0C 18 -17,-1.8 -17,-2.9 -2,-0.3 2,-0.2 -0.988 21.9-133.3-157.1 146.3 -30.1 -39.4 14.7 67 84 A S E -N 48 0C 56 -2,-0.3 25,-1.9 -19,-0.2 2,-0.5 -0.534 30.7-113.9 -92.9 164.5 -31.4 -41.7 12.1 68 85 A V E -O 91 0C 38 -21,-0.7 23,-0.2 23,-0.2 3,-0.1 -0.889 26.5-178.5-102.8 126.4 -30.4 -45.4 11.9 69 86 A V E S+ 0 0 81 21,-2.3 2,-0.3 -2,-0.5 22,-0.1 0.665 73.7 8.0 -94.9 -20.2 -28.5 -46.3 8.8 70 87 A R E -O 90 0C 112 20,-1.0 20,-3.1 2,-0.0 2,-0.5 -0.934 58.4-158.1-163.4 136.0 -28.2 -50.0 9.7 71 88 A A E -O 89 0C 47 -2,-0.3 2,-0.7 18,-0.2 18,-0.2 -0.975 6.6-163.7-120.6 126.7 -29.5 -52.4 12.3 72 89 A V E -O 88 0C 32 16,-3.1 16,-2.4 -2,-0.5 2,-0.3 -0.876 7.4-168.6-113.5 99.4 -27.7 -55.6 13.2 73 90 A I E -O 87 0C 51 -2,-0.7 14,-0.2 14,-0.2 12,-0.1 -0.644 40.2 -93.1 -84.0 142.1 -29.9 -58.1 15.1 74 91 A H > - 0 0 20 12,-2.3 3,-2.1 -2,-0.3 -1,-0.1 -0.318 32.4-128.4 -57.2 131.9 -28.0 -61.0 16.6 75 92 A P T 3 S+ 0 0 101 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.740 106.9 44.2 -53.2 -26.2 -28.2 -63.9 14.0 76 93 A D T 3 S+ 0 0 102 8,-0.1 -2,-0.1 2,-0.1 9,-0.1 0.168 77.6 141.2-108.8 18.3 -29.5 -66.3 16.7 77 94 A Y < - 0 0 53 -3,-2.1 2,-0.5 9,-0.1 7,-0.2 -0.372 34.7-159.9 -60.9 134.4 -32.1 -64.0 18.4 78 95 A D > - 0 0 75 5,-2.3 4,-2.0 1,-0.1 5,-0.4 -0.958 9.3-163.9-122.6 111.6 -35.2 -65.9 19.4 79 96 A A T 4 S+ 0 0 70 -2,-0.5 -1,-0.1 2,-0.2 -2,-0.0 0.510 87.5 53.8 -71.9 -7.4 -38.3 -63.8 19.9 80 97 A A T 4 S+ 0 0 85 3,-0.1 -1,-0.2 1,-0.0 -2,-0.0 0.916 123.2 22.2 -89.3 -57.4 -40.1 -66.6 21.8 81 98 A S T 4 S- 0 0 52 2,-0.1 -2,-0.2 1,-0.0 3,-0.1 0.577 99.2-128.2 -85.0 -13.5 -37.6 -67.4 24.5 82 99 A H >< + 0 0 57 -4,-2.0 3,-0.9 1,-0.2 -3,-0.2 0.530 49.9 162.4 76.6 7.4 -35.8 -64.0 24.3 83 100 A D T 3 + 0 0 33 -5,-0.4 -5,-2.3 1,-0.2 -1,-0.2 -0.375 65.4 7.9 -63.4 134.2 -32.5 -65.8 23.8 84 101 A Q T 3 S+ 0 0 30 -7,-0.2 2,-2.0 1,-0.2 -10,-0.2 0.894 78.8 179.8 60.8 45.9 -29.7 -63.6 22.4 85 102 A D < + 0 0 0 -3,-0.9 2,-0.3 73,-0.2 -1,-0.2 -0.522 33.6 119.4 -78.1 78.8 -31.9 -60.4 22.7 86 103 A I + 0 0 0 -2,-2.0 -12,-2.3 -47,-0.3 2,-0.3 -0.999 33.3 174.1-149.3 143.1 -29.3 -58.0 21.4 87 104 A M E -MO 38 73C 0 -49,-2.4 -49,-2.4 -2,-0.3 2,-0.4 -0.994 19.6-142.2-150.0 141.9 -29.1 -55.6 18.4 88 105 A L E -MO 37 72C 0 -16,-2.4 -16,-3.1 -2,-0.3 2,-0.5 -0.893 12.4-157.9-107.8 136.3 -26.6 -53.0 17.3 89 106 A L E -MO 36 71C 0 -53,-2.8 -53,-2.5 -2,-0.4 2,-0.5 -0.961 6.2-149.8-117.1 120.9 -27.8 -49.7 15.7 90 107 A R E -MO 35 70C 74 -20,-3.1 -21,-2.3 -2,-0.5 -20,-1.0 -0.762 19.0-134.9 -89.7 129.8 -25.4 -47.7 13.5 91 108 A L E - 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