==== 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 SERINE PROTEASE 16-JUL-97 1AO5 . COMPND 2 MOLECULE: GLANDULAR KALLIKREIN-13; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR D.E.TIMM . 472 4 10 6 4 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20667.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 290 61.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 142 30.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 1.7 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 . 36 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 28 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 2 0 0 2 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 . 4 5 6 9 2 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 . 0 0 0 0 0 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 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 V 0 0 1 0, 0.0 2,-0.4 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 156.2 29.7 10.8 96.1 2 17 A V B +A 183 0A 15 181,-2.6 181,-1.5 1,-0.2 135,-0.1 -0.838 360.0 3.6-105.5 135.3 27.2 13.2 97.6 3 18 A G S S+ 0 0 41 -2,-0.4 -1,-0.2 133,-0.4 2,-0.1 0.778 101.0 116.6 66.2 29.5 28.3 16.0 100.0 4 19 A G - 0 0 29 -3,-0.3 2,-0.3 146,-0.1 146,-0.2 -0.065 56.5-117.8-103.7-148.4 32.0 15.2 99.9 5 20 A F E -B 149 0B 95 144,-2.7 144,-3.0 -3,-0.1 2,-0.3 -0.963 38.3 -77.3-153.1 161.3 35.1 17.0 98.8 6 21 A N E -B 148 0B 91 -2,-0.3 142,-0.2 142,-0.2 3,-0.1 -0.484 54.9-120.2 -66.4 119.7 37.8 16.7 96.2 7 22 A a - 0 0 13 140,-2.5 3,-0.1 -2,-0.3 140,-0.1 -0.428 37.4 -95.8 -58.6 143.1 40.2 14.1 97.6 8 23 A E > - 0 0 147 1,-0.2 3,-1.6 2,-0.1 4,-0.4 -0.253 58.8 -75.3 -59.5 152.9 43.6 15.5 98.1 9 24 A K T 3 S- 0 0 162 1,-0.3 -1,-0.2 2,-0.1 45,-0.1 -0.273 107.9 -14.2 -59.7 121.1 46.0 14.9 95.2 10 25 A N T 3 S+ 0 0 52 -3,-0.1 -1,-0.3 -2,-0.1 -2,-0.1 0.512 92.9 129.0 64.3 11.6 47.3 11.3 95.0 11 26 A S S < S+ 0 0 35 -3,-1.6 -2,-0.1 1,-0.3 3,-0.1 0.810 71.8 46.1 -64.2 -31.2 46.1 10.6 98.6 12 27 A Q > + 0 0 34 -4,-0.4 3,-1.8 1,-0.1 -1,-0.3 -0.571 61.1 164.1-113.8 71.2 44.3 7.4 97.5 13 28 A P T 3 S+ 0 0 12 0, 0.0 39,-0.3 0, 0.0 -1,-0.1 0.659 75.9 61.7 -60.9 -14.4 46.8 5.5 95.2 14 29 A W T 3 S+ 0 0 49 98,-0.2 16,-2.0 -3,-0.1 2,-0.2 0.636 73.8 111.2 -85.3 -18.6 44.6 2.4 95.6 15 30 A Q E < -I 29 0C 3 -3,-1.8 37,-0.6 14,-0.2 38,-0.4 -0.409 55.0-157.2 -60.9 123.8 41.4 3.9 94.1 16 31 A V E -IJ 28 51C 0 12,-2.9 12,-1.0 -2,-0.2 2,-0.7 -0.866 10.8-149.3-109.6 138.1 40.7 2.1 90.8 17 32 A A E -IJ 27 50C 0 33,-2.2 33,-1.1 -2,-0.4 2,-0.7 -0.900 15.8-155.5-107.1 100.9 38.6 3.6 87.9 18 33 A V E -IJ 26 49C 0 8,-1.7 7,-2.9 -2,-0.7 8,-1.9 -0.718 17.1-173.1 -83.3 113.2 37.0 0.7 86.1 19 34 A Y E -IJ 24 48C 20 29,-2.7 29,-1.6 -2,-0.7 2,-0.3 -0.561 23.0-158.4-100.5 167.8 36.1 1.6 82.5 20 35 A Y E > S-I 23 0C 9 3,-2.2 3,-1.4 -2,-0.2 2,-0.3 -0.867 75.9 -37.9-148.6 104.9 34.2 -0.0 79.7 21 36 A Q T 3 S- 0 0 92 -2,-0.3 -2,-0.1 1,-0.2 27,-0.0 -0.605 126.9 -24.5 73.5-129.6 35.2 1.4 76.3 22 38 A K T 3 S+ 0 0 190 -2,-0.3 2,-0.4 -3,-0.1 -1,-0.2 0.462 122.5 84.7 -92.4 -1.2 35.8 5.1 76.8 23 39 A E E < S-I 20 0C 149 -3,-1.4 -3,-2.2 2,-0.0 2,-0.2 -0.855 72.9-126.0-116.2 139.8 33.5 5.5 79.8 24 40 A H E +I 19 0C 12 -2,-0.4 -5,-0.3 -5,-0.2 3,-0.1 -0.491 31.9 164.8 -70.0 139.7 34.0 5.0 83.5 25 41 A I E + 0 0 23 -7,-2.9 2,-0.3 1,-0.3 164,-0.2 0.622 56.4 0.2-127.9 -28.3 31.4 2.7 85.1 26 42 A b E -I 18 0C 8 -8,-1.9 -8,-1.7 162,-0.1 -1,-0.3 -0.870 58.2-119.2-152.3-179.9 32.6 1.7 88.5 27 43 A G E +I 17 0C 1 162,-2.6 12,-0.4 -2,-0.3 2,-0.3 -0.655 28.5 172.6-119.8 178.3 35.3 2.0 91.2 28 44 A G E -I 16 0C 0 -12,-1.0 -12,-2.9 -2,-0.2 2,-0.4 -0.980 28.2-102.7-173.8 177.0 37.5 -0.6 92.8 29 45 A V E -IK 15 37C 0 8,-2.4 8,-2.6 -2,-0.3 2,-0.7 -0.964 22.7-131.2-126.1 129.3 40.5 -1.3 95.1 30 46 A L E + K 0 36C 3 -16,-2.0 85,-1.0 -2,-0.4 6,-0.2 -0.658 33.3 163.8 -75.9 113.5 44.1 -2.2 94.2 31 47 A L E - 0 0 23 4,-2.2 2,-0.3 -2,-0.7 5,-0.2 0.642 62.8 -3.4-106.4 -14.3 45.1 -5.3 96.2 32 48 A D E > S- K 0 35C 64 3,-1.4 3,-0.6 82,-0.1 -1,-0.1 -0.895 83.0 -84.2-160.9-179.8 48.2 -6.5 94.4 33 49 A R T 3 S+ 0 0 125 -2,-0.3 73,-3.4 1,-0.2 -1,-0.0 0.831 130.4 20.4 -67.2 -31.9 50.3 -5.8 91.3 34 50 A N T 3 S+ 0 0 30 71,-0.2 68,-1.3 1,-0.1 2,-0.3 -0.090 111.5 83.1-130.2 38.6 47.9 -7.9 89.2 35 51 A W E < +KL 32 101C 5 -3,-0.6 -4,-2.2 66,-0.2 -3,-1.4 -0.948 44.1 178.7-148.8 123.0 44.7 -7.9 91.3 36 52 A V E -KL 30 100C 0 64,-1.6 64,-2.9 -2,-0.3 2,-0.4 -0.963 15.5-148.3-123.1 138.5 41.7 -5.4 91.5 37 53 A L E +KL 29 99C 0 -8,-2.6 -8,-2.4 -2,-0.4 2,-0.2 -0.843 29.2 144.4-109.1 144.4 38.6 -5.8 93.6 38 54 A T E - L 0 98C 0 60,-2.2 60,-2.2 -2,-0.4 2,-0.4 -0.859 49.7 -58.2-157.8-172.9 35.1 -4.5 92.7 39 55 A A > - 0 0 0 -12,-0.4 3,-2.5 -2,-0.2 58,-0.3 -0.693 32.7-137.1 -86.0 134.7 31.4 -5.1 92.8 40 56 A A T 3 S+ 0 0 0 -2,-0.4 -1,-0.1 1,-0.3 57,-0.1 0.815 104.3 65.1 -56.7 -29.8 29.9 -8.2 91.2 41 57 A H T 3 S+ 0 0 33 1,-0.2 2,-1.3 55,-0.1 -1,-0.3 0.495 74.7 88.8 -75.4 -0.3 27.2 -6.1 89.9 42 58 A b < + 0 0 2 -3,-2.5 2,-0.5 280,-0.0 -1,-0.2 -0.406 67.3 166.6 -89.6 58.1 29.6 -4.1 87.7 43 59 A Y + 0 0 73 -2,-1.3 280,-3.8 278,-0.2 281,-0.6 -0.682 6.8 136.8 -86.7 117.7 29.0 -6.8 85.1 44 60 A V - 0 0 4 -2,-0.5 3,-0.1 278,-0.2 281,-0.1 -0.856 56.3-113.2-142.9 173.4 30.1 -6.1 81.5 45 61 A D S S+ 0 0 79 -2,-0.3 2,-0.3 279,-0.2 -1,-0.1 0.932 97.7 32.3 -81.0 -47.0 31.9 -8.3 78.9 46 63 A Q S S- 0 0 117 2,-0.0 2,-0.4 21,-0.0 -1,-0.2 -0.866 73.8-153.3-111.7 146.6 35.3 -6.6 78.6 47 64 A Y + 0 0 16 -2,-0.3 21,-1.7 21,-0.3 2,-0.3 -0.969 13.7 176.6-126.7 139.7 37.1 -4.8 81.4 48 65 A E E -J 19 0C 53 -29,-1.6 -29,-2.7 -2,-0.4 2,-0.3 -0.988 10.6-159.7-136.7 141.8 39.6 -2.0 81.5 49 66 A V E -J 18 0C 0 -2,-0.3 17,-2.0 17,-0.3 2,-0.4 -0.862 7.2-158.9-125.1 155.2 41.2 -0.2 84.6 50 67 A W E -JM 17 65C 57 -33,-1.1 -33,-2.2 -2,-0.3 2,-0.3 -0.999 15.4-164.9-130.0 133.3 43.0 3.1 85.1 51 68 A L E +JM 16 64C 0 13,-2.9 13,-2.7 -2,-0.4 -35,-0.1 -0.926 65.2 24.1-125.7 143.0 45.2 3.6 88.1 52 69 A G S S+ 0 0 5 -37,-0.6 2,-0.3 -2,-0.3 11,-0.2 0.793 84.2 154.6 78.9 26.0 46.7 6.8 89.8 53 70 A K + 0 0 15 -38,-0.4 -1,-0.3 -3,-0.2 3,-0.1 -0.666 22.0 159.9 -89.3 145.1 43.9 8.7 88.3 54 71 A N + 0 0 21 1,-0.4 93,-1.6 -2,-0.3 2,-0.2 0.521 69.7 46.6-125.8 -50.2 42.7 12.0 89.9 55 72 A K B -O 146 0D 57 3,-0.2 -1,-0.4 91,-0.2 3,-0.3 -0.640 62.9-155.8 -95.4 152.9 40.8 13.6 87.1 56 73 A L S S+ 0 0 14 89,-0.9 -1,-0.1 -2,-0.2 89,-0.1 0.673 95.5 45.1 -99.4 -22.0 38.4 11.7 84.9 57 74 A F S S+ 0 0 142 88,-0.1 2,-0.3 2,-0.1 -1,-0.2 -0.347 101.0 80.1-115.8 48.8 38.8 14.1 82.0 58 75 A Q S S- 0 0 106 -3,-0.3 2,-0.3 87,-0.1 -3,-0.2 -0.875 74.0-120.2-161.9 128.9 42.6 14.5 81.9 59 76 A E - 0 0 160 -2,-0.3 -2,-0.1 -6,-0.1 -3,-0.0 -0.455 33.3-173.2 -65.4 121.1 45.7 12.6 80.6 60 77 A E - 0 0 22 -2,-0.3 3,-0.4 1,-0.1 -2,-0.0 -0.986 16.9-159.9-121.5 119.4 47.8 11.9 83.7 61 78 A P S S+ 0 0 111 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.678 94.3 59.5 -70.7 -22.3 51.2 10.4 82.9 62 79 A S S S+ 0 0 58 -10,-0.1 49,-0.1 2,-0.1 -9,-0.1 0.833 92.8 96.0 -72.7 -28.9 51.6 9.1 86.5 63 80 A A - 0 0 13 -3,-0.4 2,-0.5 -11,-0.2 -11,-0.2 -0.248 67.5-146.7 -63.7 143.5 48.4 7.2 85.7 64 81 A Q E -M 51 0C 21 -13,-2.7 -13,-2.9 43,-0.0 2,-0.3 -0.940 6.0-159.0-118.6 130.1 48.6 3.6 84.5 65 82 A H E +M 50 0C 75 -2,-0.5 2,-0.2 -15,-0.2 -15,-0.2 -0.819 22.8 157.2-104.2 147.4 46.2 2.1 82.0 66 83 A R - 0 0 32 -17,-2.0 2,-0.3 -2,-0.3 -17,-0.3 -0.715 30.4-122.0-146.3-162.4 45.7 -1.7 81.8 67 84 A L - 0 0 82 -2,-0.2 36,-3.1 -19,-0.2 2,-0.5 -0.954 22.6-119.1-150.7 157.5 43.4 -4.5 80.8 68 85 A V E -N 102 0C 24 -21,-1.7 -21,-0.3 -2,-0.3 34,-0.3 -0.895 16.0-171.1-108.0 128.2 41.8 -7.5 82.6 69 86 A S E S+ 0 0 73 32,-2.7 2,-0.3 -2,-0.5 33,-0.2 0.941 73.6 3.3 -80.4 -52.6 42.5 -11.1 81.6 70 87 A K E -N 101 0C 127 31,-0.6 31,-3.1 2,-0.0 2,-0.4 -0.994 62.4-151.9-137.8 143.0 39.9 -13.0 83.7 71 88 A S E -N 100 0C 43 -2,-0.3 29,-0.2 29,-0.2 -3,-0.0 -0.946 4.8-163.9-118.7 134.5 37.2 -11.9 86.1 72 89 A F E -N 99 0C 38 27,-3.0 27,-2.2 -2,-0.4 2,-0.2 -0.844 4.0-165.7-122.7 96.3 35.9 -13.9 89.0 73 90 A P E -N 98 0C 51 0, 0.0 25,-0.3 0, 0.0 23,-0.1 -0.564 41.9 -89.6 -75.6 142.6 32.6 -12.9 90.6 74 91 A H > - 0 0 27 23,-3.1 3,-1.3 21,-0.3 23,-0.1 -0.280 30.5-126.6 -56.8 131.5 31.9 -14.4 94.0 75 92 A P T 3 S+ 0 0 106 0, 0.0 -1,-0.2 0, 0.0 20,-0.0 0.516 105.1 58.7 -56.9 -5.9 30.0 -17.8 93.7 76 93 A G T 3 S+ 0 0 36 19,-0.2 2,-0.3 21,-0.1 18,-0.1 0.779 73.0 104.2 -98.3 -28.3 27.4 -16.5 96.1 77 94 A F S < S- 0 0 12 -3,-1.3 2,-1.6 18,-0.5 18,-0.1 -0.368 72.2-131.4 -61.8 115.1 26.1 -13.4 94.2 78 95 A N > - 0 0 80 14,-0.4 3,-1.5 -2,-0.3 4,-0.4 -0.498 23.8-174.2 -70.3 89.3 22.7 -14.2 92.7 79 95AA M G > S+ 0 0 38 -2,-1.6 3,-1.6 1,-0.3 4,-0.4 0.774 74.0 76.2 -55.3 -29.6 23.2 -12.9 89.2 80 95BA S G >> S+ 0 0 67 1,-0.3 3,-1.7 2,-0.2 4,-1.0 0.841 82.7 65.7 -52.1 -38.7 19.6 -13.6 88.4 81 95CA L G X4 S+ 0 0 14 -3,-1.5 3,-0.7 1,-0.3 -1,-0.3 0.860 92.1 65.0 -53.7 -33.3 18.5 -10.5 90.3 82 95DA L G <4 S+ 0 0 33 -3,-1.6 -1,-0.3 -4,-0.4 -2,-0.2 0.702 99.8 49.1 -64.0 -25.4 20.3 -8.4 87.7 83 95EA M G <4 S+ 0 0 24 -3,-1.7 198,-0.4 -4,-0.4 -1,-0.2 0.699 87.9 102.1 -86.3 -25.9 18.0 -9.4 84.9 84 95FA L << - 0 0 22 -4,-1.0 198,-0.2 -3,-0.7 3,-0.1 -0.341 68.7-142.6 -60.5 139.8 14.8 -8.7 86.9 85 95GA Q S S+ 0 0 59 196,-2.8 2,-0.3 1,-0.2 -1,-0.1 0.768 86.2 24.5 -75.6 -26.0 13.2 -5.4 85.9 86 95HA T S S- 0 0 19 195,-0.4 -1,-0.2 -5,-0.0 -3,-0.0 -0.995 85.9-112.4-138.7 146.2 12.3 -4.6 89.6 87 95IA I - 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