==== 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 2QXG . COMPND 2 MOLECULE: KALLIKREIN-7; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.DEBELA,P.HESS,V.MAGDOLEN,W.BODE,T.STEINER,P.GOETTIG . 450 4 12 12 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20409.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 282 62.7 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 . 146 32.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 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 1.8 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 . 36 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 52 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 26 5.8 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 2 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 . 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 . 4 4 6 8 4 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 I 0 0 2 0, 0.0 2,-0.5 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 133.5 -5.8 5.6 41.3 2 17 A I B -A 170 0A 8 168,-2.6 168,-1.4 1,-0.2 122,-0.1 -0.900 360.0 -0.2-111.0 129.5 -4.6 6.3 44.8 3 18 A D S S+ 0 0 85 -2,-0.5 -1,-0.2 120,-0.4 166,-0.1 0.907 105.9 112.5 66.1 44.2 -2.9 9.5 45.8 4 19 A G - 0 0 41 -3,-0.4 133,-0.2 133,-0.1 -1,-0.1 -0.181 55.6-128.8-119.4-147.3 -3.2 11.0 42.4 5 20 A A E -B 136 0B 52 131,-2.1 131,-4.0 -2,-0.1 2,-0.1 -0.971 38.5 -68.0-166.1 161.7 -5.2 13.8 40.7 6 21 A P E -B 135 0B 90 0, 0.0 129,-0.3 0, 0.0 128,-0.1 -0.351 55.4-118.3 -59.5 131.1 -7.5 14.5 37.7 7 22 A a - 0 0 17 127,-2.5 2,-0.3 1,-0.1 3,-0.1 -0.362 35.4 -93.2 -70.2 152.3 -5.6 14.3 34.4 8 23 A A > - 0 0 71 1,-0.1 3,-1.8 2,-0.1 4,-0.2 -0.520 55.8 -99.7 -66.7 124.3 -5.4 17.4 32.3 9 24 A R T 3 S+ 0 0 174 -2,-0.3 -1,-0.1 1,-0.2 44,-0.0 -0.044 102.4 14.0 -46.2 143.0 -8.3 17.2 29.9 10 25 A G T 3 S+ 0 0 31 2,-0.1 -1,-0.2 1,-0.1 -2,-0.1 0.447 93.1 107.6 70.3 1.6 -7.5 15.9 26.4 11 26 A S S < S+ 0 0 53 -3,-1.8 3,-0.1 1,-0.2 -2,-0.1 0.627 77.6 49.4 -85.5 -12.9 -4.1 14.5 27.3 12 27 A H > + 0 0 27 -4,-0.2 3,-1.7 1,-0.1 -1,-0.2 -0.434 58.3 150.4-123.7 61.0 -5.1 10.9 27.1 13 28 A P T 3 S+ 0 0 17 0, 0.0 87,-1.4 0, 0.0 39,-0.3 0.620 75.7 55.1 -66.5 -11.2 -7.0 10.5 23.8 14 29 A W T 3 S+ 0 0 44 85,-0.2 16,-2.2 -3,-0.1 2,-0.4 0.340 85.0 103.5-102.5 5.8 -5.9 6.8 23.6 15 30 A Q E < +I 29 0C 8 -3,-1.7 37,-0.4 14,-0.2 38,-0.3 -0.739 48.7 178.4 -91.0 133.1 -7.3 5.9 27.0 16 31 A V E -I 28 0C 3 12,-2.6 12,-1.1 -2,-0.4 2,-0.4 -0.709 19.6-134.9-126.0 179.0 -10.6 3.9 27.0 17 32 A A E -IJ 27 50C 0 33,-1.4 33,-2.7 10,-0.2 2,-0.5 -0.999 7.2-144.5-140.7 135.1 -13.0 2.3 29.5 18 33 A L E -IJ 26 49C 0 8,-1.8 7,-2.7 -2,-0.4 8,-1.6 -0.872 27.3-176.0 -99.5 126.1 -14.7 -1.1 29.6 19 34 A L E -IJ 24 48C 13 29,-1.5 29,-1.6 -2,-0.5 2,-0.8 -0.898 31.0-141.5-125.0 153.1 -18.2 -0.9 31.0 20 35 A S E > S-I 23 0C 56 3,-2.0 2,-1.6 -2,-0.3 3,-1.1 -0.869 86.9 -47.9-109.9 90.4 -20.8 -3.5 31.8 21 36 A G T 3 S- 0 0 34 -2,-0.8 -2,-0.1 1,-0.2 3,-0.0 -0.657 125.7 -25.3 83.4 -89.8 -23.9 -1.5 30.8 22 38 A N T 3 S+ 0 0 124 -2,-1.6 2,-0.5 2,-0.1 -1,-0.2 0.182 114.7 99.0-141.6 13.3 -23.0 1.8 32.6 23 39 A Q E < S-I 20 0C 139 -3,-1.1 -3,-2.0 1,-0.0 -1,-0.0 -0.932 77.6-111.2-112.9 123.8 -20.7 0.6 35.5 24 40 A L E +I 19 0C 36 -2,-0.5 -5,-0.2 -5,-0.2 3,-0.1 -0.179 40.8 164.9 -50.7 132.2 -16.9 0.8 35.2 25 41 A H E - 0 0 63 -7,-2.7 2,-0.2 1,-0.5 151,-0.2 0.718 59.2 -34.2-116.6 -47.1 -15.2 -2.6 34.9 26 42 A b E -I 18 0C 2 -8,-1.6 -8,-1.8 149,-0.1 -1,-0.5 -0.855 55.1-113.2-158.2-169.3 -11.7 -1.9 33.7 27 43 A G E +I 17 0C 3 149,-3.4 12,-0.4 -10,-0.2 2,-0.3 -0.623 30.0 161.4-127.2-172.8 -9.6 0.4 31.5 28 44 A G E -I 16 0C 0 -12,-1.1 -12,-2.6 -2,-0.2 2,-0.3 -0.981 29.5-103.1 174.8-176.1 -7.6 0.0 28.3 29 45 A V E -IK 15 37C 0 8,-2.3 8,-3.1 -2,-0.3 2,-0.7 -0.966 28.0-114.7-135.3 152.7 -5.9 1.8 25.3 30 46 A L E - K 0 36C 1 -16,-2.2 72,-2.2 -2,-0.3 6,-0.2 -0.777 23.7-178.1 -91.0 115.3 -6.8 2.1 21.6 31 47 A V E - 0 0 12 4,-2.4 2,-0.2 -2,-0.7 -1,-0.2 0.946 67.6 -39.8 -73.8 -51.0 -4.4 0.4 19.3 32 48 A N E > S- K 0 35C 35 3,-1.3 3,-1.6 69,-0.1 -1,-0.3 -0.870 85.5 -52.5-158.0-170.6 -6.1 1.6 16.2 33 49 A E T 3 S+ 0 0 59 1,-0.3 60,-3.6 -2,-0.2 58,-0.1 0.774 133.8 21.1 -46.3 -37.2 -9.6 2.1 14.6 34 50 A R T 3 S+ 0 0 95 58,-0.2 55,-0.8 1,-0.1 2,-0.4 0.121 110.5 80.0-124.8 25.4 -10.8 -1.4 15.5 35 51 A W E < -KL 32 88C 9 -3,-1.6 -4,-2.4 53,-0.2 -3,-1.3 -0.974 45.7-173.4-142.0 130.2 -8.6 -2.6 18.3 36 52 A V E -KL 30 87C 0 51,-2.8 51,-3.2 -2,-0.4 2,-0.4 -0.914 12.9-151.8-115.5 140.1 -8.5 -2.1 22.0 37 53 A L E +KL 29 86C 1 -8,-3.1 -8,-2.3 -2,-0.4 2,-0.3 -0.881 33.7 130.3-110.8 144.9 -5.7 -3.4 24.3 38 54 A T E - L 0 85C 0 47,-1.9 47,-2.5 -2,-0.4 2,-0.2 -0.928 53.8 -46.7-169.0-169.2 -6.3 -4.3 27.9 39 55 A A > - 0 0 0 -12,-0.4 3,-1.1 -2,-0.3 45,-0.3 -0.543 34.0-140.0 -82.7 144.7 -5.9 -6.9 30.7 40 56 A A G > S+ 0 0 0 1,-0.2 3,-1.1 -2,-0.2 -1,-0.1 0.761 102.6 61.6 -72.7 -25.8 -6.8 -10.5 30.3 41 57 A H G 3 S+ 0 0 36 1,-0.3 -1,-0.2 42,-0.1 135,-0.0 0.445 91.8 69.9 -81.0 4.8 -8.3 -10.8 33.7 42 58 A b G < S+ 0 0 0 -3,-1.1 -1,-0.3 2,-0.1 -2,-0.1 0.163 73.0 147.0-101.5 14.2 -10.8 -8.2 32.6 43 59 A K < + 0 0 92 -3,-1.1 2,-0.3 2,-0.0 -3,-0.1 -0.216 19.5 171.1 -55.7 136.9 -12.5 -10.7 30.2 44 60 A M - 0 0 48 1,-0.1 3,-0.1 23,-0.0 -2,-0.1 -0.961 44.6-120.4-144.6 159.9 -16.2 -10.4 29.6 45 61 A N S S+ 0 0 154 -2,-0.3 2,-0.3 1,-0.3 -1,-0.1 0.845 101.5 5.5 -69.8 -33.2 -18.8 -11.9 27.4 46 62 A E S S- 0 0 95 -3,-0.0 2,-0.3 2,-0.0 -1,-0.3 -0.987 71.2-156.4-152.7 139.7 -19.7 -8.5 26.0 47 63 A Y E - M 0 66C 0 19,-3.0 19,-2.3 -2,-0.3 2,-0.6 -0.879 13.8-152.5-122.6 154.6 -18.2 -5.0 26.5 48 64 A T E -JM 19 65C 10 -29,-1.6 -29,-1.5 -2,-0.3 2,-0.3 -0.925 28.3-152.7-121.6 98.1 -19.4 -1.4 26.1 49 65 A V E -JM 18 64C 0 15,-3.3 15,-2.2 -2,-0.6 2,-0.5 -0.594 4.0-151.9 -81.6 133.0 -16.3 0.7 25.4 50 66 A H E +JM 17 63C 6 -33,-2.7 -33,-1.4 -2,-0.3 2,-0.3 -0.892 23.7 167.7-104.1 125.5 -16.1 4.4 26.3 51 67 A L E + M 0 62C 2 11,-2.3 11,-3.0 -2,-0.5 -35,-0.1 -0.964 44.7 35.0-138.2 154.7 -13.8 6.6 24.1 52 69 A G S S+ 0 0 11 -37,-0.4 2,-0.2 46,-0.4 47,-0.1 0.839 96.6 67.4 77.5 36.3 -13.2 10.3 23.6 53 70 A S - 0 0 12 -38,-0.3 4,-0.1 -41,-0.2 -1,-0.1 -0.773 60.7-143.7 176.9 137.8 -13.6 11.8 27.1 54 71 A D S S+ 0 0 17 -2,-0.2 80,-1.7 1,-0.1 2,-0.6 0.575 89.9 76.0 -80.6 -10.5 -12.1 11.9 30.6 55 72 A T B > S-O 133 0D 52 78,-0.2 3,-1.9 -3,-0.1 78,-0.2 -0.904 82.9-131.4-109.3 116.6 -15.6 12.0 32.1 56 73 A L T 3 S+ 0 0 43 76,-2.4 -2,-0.1 -2,-0.6 -34,-0.0 -0.435 94.9 23.7 -64.4 126.0 -17.7 8.9 32.2 57 74 A G T 3 S+ 0 0 74 1,-0.3 -1,-0.3 -2,-0.2 75,-0.0 0.444 82.0 161.0 98.2 1.2 -21.1 9.5 30.8 58 75 A D X - 0 0 41 -3,-1.9 3,-1.2 1,-0.2 -1,-0.3 -0.315 42.7-136.8 -56.7 134.3 -20.1 12.5 28.7 59 76 A R T 3 S+ 0 0 211 1,-0.2 -1,-0.2 3,-0.0 -2,-0.0 0.631 103.2 54.3 -69.8 -11.7 -22.7 13.2 26.0 60 77 A R T 3 S+ 0 0 173 2,-0.1 -1,-0.2 -8,-0.0 -2,-0.1 0.470 86.9 101.4-100.6 -4.1 -19.8 13.8 23.5 61 80 A A S < S- 0 0 19 -3,-1.2 2,-0.4 -6,-0.1 -9,-0.2 -0.309 74.3-115.4 -77.2 163.9 -18.0 10.5 24.1 62 81 A Q E -M 51 0C 27 -11,-3.0 -11,-2.3 -2,-0.0 2,-0.6 -0.865 22.0-159.7-101.7 134.6 -18.3 7.5 21.7 63 82 A R E +M 50 0C 136 -2,-0.4 2,-0.4 -13,-0.2 -13,-0.2 -0.951 17.2 173.0-117.2 110.4 -19.9 4.3 23.0 64 83 A I E -M 49 0C 23 -15,-2.2 -15,-3.3 -2,-0.6 2,-0.3 -0.952 21.7-139.2-120.4 138.2 -19.0 1.2 21.0 65 84 A K E -M 48 0C 110 -2,-0.4 25,-2.2 -17,-0.3 2,-0.4 -0.725 14.6-165.9 -97.5 145.6 -19.8 -2.4 21.9 66 85 A A E +MN 47 89C 0 -19,-2.3 -19,-3.0 -2,-0.3 23,-0.2 -0.994 17.9 173.0-132.1 136.1 -17.5 -5.3 21.5 67 86 A S E + 0 0 59 21,-0.5 2,-0.3 -2,-0.4 -1,-0.1 0.675 63.6 69.1-111.1 -27.9 -18.3 -9.0 21.5 68 87 A K E + N 0 88C 123 20,-0.7 20,-1.9 -21,-0.1 2,-0.3 -0.752 54.4 172.1-100.2 142.7 -14.9 -10.6 20.5 69 88 A S E - N 0 87C 16 -2,-0.3 2,-0.5 18,-0.2 18,-0.3 -0.996 17.5-151.3-147.3 144.8 -11.7 -10.6 22.6 70 89 A F E - N 0 86C 39 16,-3.9 16,-3.6 -2,-0.3 2,-0.3 -0.948 9.0-161.3-127.1 116.3 -8.3 -12.3 22.3 71 90 A R E - N 0 85C 92 -2,-0.5 14,-0.2 14,-0.3 12,-0.1 -0.640 35.4 -98.0 -91.8 147.8 -6.1 -13.3 25.2 72 91 A H > - 0 0 34 12,-1.8 3,-1.8 10,-0.3 -1,-0.1 -0.401 34.8-128.0 -59.7 134.2 -2.4 -14.0 24.9 73 92 A P T 3 S+ 0 0 111 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.854 105.5 57.0 -57.4 -32.3 -2.2 -17.8 24.8 74 93 A G T 3 S+ 0 0 37 2,-0.1 7,-0.1 8,-0.0 9,-0.1 0.380 79.1 125.8 -81.3 6.0 0.3 -17.9 27.6 75 94 A Y < - 0 0 33 -3,-1.8 2,-0.5 7,-0.2 7,-0.2 -0.292 47.6-149.1 -65.2 148.2 -1.9 -16.1 30.1 76 95 A S > - 0 0 31 5,-1.2 4,-2.2 1,-0.1 5,-0.1 -0.971 15.6-157.2-126.6 122.5 -2.6 -17.8 33.5 77 96 A T T 4 S+ 0 0 82 -2,-0.5 -1,-0.1 1,-0.2 -2,-0.0 0.482 99.2 43.5 -70.7 -1.5 -5.8 -17.4 35.5 78 97 A Q T 4 S+ 0 0 158 3,-0.1 -1,-0.2 0, 0.0 -3,-0.0 0.781 127.6 21.2-109.6 -44.5 -3.8 -18.3 38.6 79 98 A T T 4 S- 0 0 78 2,-0.1 -2,-0.2 76,-0.0 -4,-0.0 0.617 90.7-135.8 -99.9 -19.1 -0.5 -16.4 38.3 80 99 A H >< + 0 0 42 -4,-2.2 3,-0.6 1,-0.2 2,-0.2 0.798 45.8 158.8 66.6 30.4 -1.8 -13.7 36.0 81 100 A V T 3 + 0 0 7 1,-0.2 -5,-1.2 -7,-0.1 -1,-0.2 -0.581 63.5 19.9 -83.1 149.4 1.4 -14.0 33.8 82 101 A N T 3 S+ 0 0 32 -2,-0.2 2,-1.8 1,-0.2 -10,-0.3 0.913 83.6 179.0 57.9 43.1 1.1 -12.7 30.2 83 102 A D < + 0 0 1 -3,-0.6 2,-0.3 -8,-0.1 -1,-0.2 -0.503 30.0 112.5 -82.0 75.0 -1.9 -10.7 31.4 84 103 A L - 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