==== 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 2QXI . COMPND 2 MOLECULE: KALLIKREIN-7; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.DEBELA,P.HESS,V.MAGDOLEN,N.M.SCHECHTER,W.BODE,P GOETTIG . 225 2 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10436.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 136 60.4 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 . 73 32.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 14 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 15 6.7 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 1 0 1 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 . 3 2 3 5 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 1 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 1 0, 0.0 2,-0.4 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 126.3 8.5 -0.1 14.0 2 17 A I B -A 170 0A 11 168,-2.9 168,-1.6 1,-0.2 122,-0.1 -0.816 360.0 -1.4 -93.8 133.0 11.0 1.1 16.7 3 18 A D S S+ 0 0 88 120,-0.5 -1,-0.2 -2,-0.4 166,-0.1 0.743 99.7 133.6 63.4 33.4 14.6 -0.1 16.5 4 19 A G - 0 0 35 -3,-0.4 133,-0.2 133,-0.1 -1,-0.2 -0.156 48.5-134.1 -94.7-171.9 14.1 -2.4 13.5 5 20 A A E -B 136 0B 58 131,-2.0 131,-2.6 -2,-0.1 3,-0.1 -0.919 45.2 -74.5-139.4 157.9 15.9 -3.0 10.2 6 21 A P E -B 135 0B 79 0, 0.0 129,-0.3 0, 0.0 3,-0.1 -0.342 55.0-112.0 -57.9 138.9 14.4 -3.3 6.7 7 22 A a - 0 0 6 127,-2.6 3,-0.1 1,-0.1 127,-0.1 -0.325 45.0 -83.7 -62.0 153.1 12.6 -6.5 6.2 8 23 A A > - 0 0 68 1,-0.1 3,-2.1 3,-0.1 4,-0.3 -0.366 57.7 -99.0 -59.8 132.4 14.2 -9.0 3.8 9 24 A R T 3 S+ 0 0 134 1,-0.3 -1,-0.1 2,-0.1 44,-0.0 -0.321 103.8 5.9 -59.8 131.2 13.1 -8.0 0.3 10 25 A G T 3 S+ 0 0 30 2,-0.1 -1,-0.3 -3,-0.1 -2,-0.1 0.409 98.9 108.6 81.0 -0.8 10.2 -10.1 -1.0 11 26 A S S < S+ 0 0 49 -3,-2.1 -2,-0.1 1,-0.2 3,-0.1 0.530 74.1 51.6 -86.5 -4.7 9.8 -11.9 2.3 12 27 A H > + 0 0 14 -4,-0.3 3,-1.9 1,-0.1 -1,-0.2 -0.388 57.7 147.1-125.3 52.7 6.5 -10.2 3.2 13 28 A P T 3 S+ 0 0 14 0, 0.0 87,-1.4 0, 0.0 39,-0.3 0.618 74.4 56.5 -70.8 -10.5 4.2 -10.7 0.2 14 29 A W T 3 S+ 0 0 43 85,-0.2 16,-2.6 -3,-0.1 2,-0.3 0.432 83.4 105.9 -94.3 -5.4 1.1 -10.9 2.4 15 30 A Q E < +I 29 0C 5 -3,-1.9 37,-0.5 14,-0.2 2,-0.3 -0.629 47.0 175.0 -73.0 135.8 1.8 -7.5 4.0 16 31 A V E -I 28 0C 0 12,-2.3 12,-1.2 -2,-0.3 2,-0.4 -0.852 22.8-135.6-126.7 168.4 -0.5 -4.7 2.8 17 32 A A E -IJ 27 50C 0 33,-1.8 33,-2.7 -2,-0.3 2,-0.6 -0.981 9.0-144.0-120.4 142.1 -1.0 -1.1 3.7 18 33 A L E -IJ 26 49C 0 8,-3.1 7,-2.6 -2,-0.4 8,-2.0 -0.935 27.2-168.8-101.8 123.0 -4.3 0.6 4.3 19 34 A L E -IJ 24 48C 6 29,-3.2 29,-2.2 -2,-0.6 2,-0.8 -0.812 31.0-138.2-116.2 149.3 -4.2 4.2 3.0 20 35 A S E > S-I 23 0C 65 3,-2.8 3,-1.6 -2,-0.3 2,-0.6 -0.930 92.4 -43.4 -98.6 97.2 -6.4 7.2 3.3 21 36 A G T 3 S- 0 0 42 -2,-0.8 -2,-0.2 1,-0.3 27,-0.1 -0.616 126.5 -29.4 69.1-114.7 -5.9 8.3 -0.3 22 38 A N T 3 S+ 0 0 124 -2,-0.6 2,-0.5 -3,-0.1 -1,-0.3 0.017 117.5 105.2-120.1 30.0 -2.2 7.7 -0.6 23 39 A Q E < S-I 20 0C 144 -3,-1.6 -3,-2.8 34,-0.0 34,-0.0 -0.938 78.4-106.6-103.9 131.0 -1.4 8.4 3.1 24 40 A L E +I 19 0C 33 -2,-0.5 -5,-0.2 -5,-0.2 3,-0.1 -0.248 45.1 160.3 -54.4 131.6 -0.6 5.5 5.4 25 41 A H E - 0 0 68 -7,-2.6 2,-0.3 1,-0.5 149,-0.2 0.700 61.8 -29.2-112.4 -53.7 -3.3 4.7 7.9 26 42 A b E -I 18 0C 5 -8,-2.0 -8,-3.1 149,-0.1 -1,-0.5 -0.956 56.8-106.6-154.7 167.8 -2.5 1.1 9.1 27 43 A G E +I 17 0C 2 149,-2.5 12,-0.4 -2,-0.3 2,-0.3 -0.270 36.3 172.6 -86.4-176.2 -1.0 -2.1 8.1 28 44 A G E -I 16 0C 0 -12,-1.2 -12,-2.3 10,-0.1 2,-0.4 -0.966 26.0-115.9-176.4 176.0 -2.8 -5.3 7.2 29 45 A V E -IK 15 37C 0 8,-2.4 8,-2.8 -2,-0.3 2,-0.6 -0.994 24.3-121.2-132.7 138.9 -2.5 -8.8 5.9 30 46 A L E + K 0 36C 0 -16,-2.6 72,-2.8 -2,-0.4 6,-0.2 -0.655 29.1 174.3 -80.2 121.2 -3.8 -10.4 2.7 31 47 A V E - 0 0 12 4,-2.5 2,-0.3 -2,-0.6 -1,-0.2 0.834 66.4 -26.5 -93.5 -41.8 -6.0 -13.4 3.6 32 48 A N E > S- K 0 35C 38 3,-1.6 3,-1.2 69,-0.1 -1,-0.4 -0.918 83.5 -69.5-157.0-173.7 -7.3 -14.1 0.0 33 49 A E T 3 S+ 0 0 61 1,-0.3 60,-2.8 -2,-0.3 58,-0.1 0.642 131.2 31.4 -61.2 -19.0 -7.9 -12.4 -3.3 34 50 A R T 3 S+ 0 0 79 58,-0.2 55,-2.5 1,-0.1 2,-0.4 0.448 111.2 66.9-116.4 -0.7 -10.9 -10.4 -1.8 35 51 A W E < -KL 32 88C 7 -3,-1.2 -4,-2.5 53,-0.2 -3,-1.6 -0.984 45.8-171.4-139.0 134.6 -10.0 -9.9 1.9 36 52 A V E -KL 30 87C 0 51,-2.4 51,-3.0 -2,-0.4 2,-0.4 -0.935 17.1-146.7-114.4 139.0 -7.5 -8.1 4.1 37 53 A L E +KL 29 86C 0 -8,-2.8 -8,-2.4 -2,-0.4 2,-0.2 -0.889 35.4 141.1-104.5 135.8 -7.3 -8.6 7.8 38 54 A T E - L 0 85C 0 47,-2.6 47,-2.2 -2,-0.4 2,-0.3 -0.807 52.8 -61.0-153.8-171.4 -6.4 -5.6 10.0 39 55 A A > - 0 0 0 -12,-0.4 3,-1.7 45,-0.3 45,-0.3 -0.690 34.7-134.8 -86.6 139.6 -7.1 -4.0 13.3 40 56 A A G > S+ 0 0 1 -2,-0.3 3,-1.9 1,-0.3 -1,-0.1 0.785 103.7 68.2 -60.3 -29.8 -10.7 -2.7 14.0 41 57 A H G 3 S+ 0 0 43 1,-0.3 -1,-0.3 39,-0.1 42,-0.0 0.616 90.7 65.6 -68.3 -10.6 -9.3 0.5 15.4 42 58 A b G < S+ 0 0 0 -3,-1.7 -1,-0.3 -15,-0.1 -2,-0.2 0.306 74.5 143.4 -87.3 4.5 -8.2 1.3 11.8 43 59 A K < + 0 0 91 -3,-1.9 2,-0.3 2,-0.0 -3,-0.0 -0.203 17.3 159.9 -52.2 134.0 -11.9 1.5 10.6 44 60 A M - 0 0 35 1,-0.0 3,-0.1 23,-0.0 -2,-0.0 -0.930 51.9-108.7-142.5 168.8 -12.6 4.1 7.9 45 61 A N S S+ 0 0 135 -2,-0.3 2,-0.3 1,-0.2 24,-0.1 0.875 100.8 1.6 -68.5 -37.4 -15.4 4.5 5.4 46 62 A E - 0 0 94 22,-0.0 2,-0.3 -3,-0.0 21,-0.2 -0.959 67.7-163.4-145.4 163.7 -13.1 3.6 2.5 47 63 A Y E - M 0 66C 4 19,-2.2 19,-2.7 -2,-0.3 2,-0.5 -0.959 18.8-137.9-142.9 154.6 -9.5 2.5 2.0 48 64 A T E -JM 19 65C 34 -29,-2.2 -29,-3.2 -2,-0.3 2,-0.5 -0.985 28.4-147.4-106.6 130.6 -6.9 2.3 -0.7 49 65 A V E -JM 18 64C 0 15,-3.0 15,-2.1 -2,-0.5 2,-0.5 -0.889 5.0-155.0-105.3 125.0 -5.0 -1.0 -0.3 50 66 A H E +JM 17 63C 1 -33,-2.7 -33,-1.8 -2,-0.5 2,-0.3 -0.858 23.0 167.5 -92.7 128.7 -1.3 -1.1 -1.2 51 67 A L E + M 0 62C 2 11,-2.5 11,-2.0 -2,-0.5 -35,-0.1 -0.965 43.4 33.5-136.6 155.0 0.0 -4.6 -2.2 52 69 A G S S+ 0 0 22 -37,-0.5 2,-0.3 46,-0.4 47,-0.1 0.652 91.1 78.2 82.5 19.8 3.1 -6.0 -3.8 53 70 A S - 0 0 15 -38,-0.2 5,-0.1 -41,-0.1 -1,-0.1 -0.934 59.1-148.1-155.8 140.3 6.0 -3.9 -2.8 54 71 A D S S+ 0 0 7 -2,-0.3 80,-2.1 2,-0.1 2,-0.7 0.597 88.5 81.9 -71.5 -16.0 8.2 -3.5 0.3 55 72 A T B > S-O 133 0D 38 78,-0.2 3,-1.7 -3,-0.0 2,-0.2 -0.871 76.9-147.5 -94.9 111.7 8.4 0.2 -0.7 56 73 A L T 3 S+ 0 0 31 76,-2.8 3,-0.1 -2,-0.7 -2,-0.1 -0.593 92.0 34.0 -73.7 142.2 5.4 2.1 0.5 57 74 A G T 3 S+ 0 0 55 1,-0.3 -1,-0.3 -2,-0.2 2,-0.1 0.382 82.5 157.8 86.1 -7.6 4.9 4.8 -2.1 58 75 A D X - 0 0 46 -3,-1.7 3,-1.7 1,-0.2 -1,-0.3 -0.359 40.0-145.7 -57.7 122.1 6.2 2.5 -4.9 59 76 A R T 3 S+ 0 0 228 1,-0.3 -1,-0.2 -3,-0.1 -3,-0.0 0.717 99.0 50.9 -61.0 -22.3 4.8 3.9 -8.2 60 77 A R T 3 S+ 0 0 235 2,-0.1 -1,-0.3 -8,-0.0 -2,-0.1 0.281 84.2 116.9-100.5 6.5 4.6 0.3 -9.4 61 78 A A S < S- 0 0 11 -3,-1.7 2,-0.3 -6,-0.1 -9,-0.2 -0.368 72.6-105.0 -71.2 154.1 2.7 -1.2 -6.5 62 79 A Q E -M 51 0C 41 -11,-2.0 -11,-2.5 32,-0.1 2,-0.4 -0.595 37.0-166.5 -75.4 137.0 -0.8 -2.7 -6.9 63 80 A R E +M 50 0C 97 -2,-0.3 2,-0.4 -13,-0.2 -13,-0.2 -0.994 8.4 178.1-131.1 127.8 -3.5 -0.4 -5.5 64 81 A I E -M 49 0C 8 -15,-2.1 -15,-3.0 -2,-0.4 2,-0.2 -0.994 24.5-128.7-131.8 132.5 -7.1 -1.5 -4.9 65 82 A K E -M 48 0C 102 -2,-0.4 25,-2.9 -17,-0.2 2,-0.4 -0.492 19.6-164.5 -75.7 145.8 -10.0 0.4 -3.5 66 83 A A E +M 47 0C 0 -19,-2.7 -19,-2.2 23,-0.2 23,-0.2 -0.972 17.0 169.8-135.1 119.8 -11.9 -1.1 -0.6 67 84 A S + 0 0 36 21,-0.4 2,-0.4 -2,-0.4 -1,-0.1 0.756 61.2 62.6 -98.1 -27.6 -15.4 0.2 0.3 68 87 A K E +N 88 0C 119 20,-0.8 20,-2.5 -21,-0.1 2,-0.3 -0.788 53.5 164.9-110.5 137.5 -16.6 -2.4 2.8 69 88 A S E -N 87 0C 8 -2,-0.4 2,-0.4 18,-0.2 18,-0.2 -0.988 17.7-157.0-153.3 152.6 -15.2 -3.5 6.1 70 89 A F E -N 86 0C 58 16,-2.7 16,-2.4 -2,-0.3 2,-0.2 -0.950 8.4-152.6-137.9 108.5 -16.5 -5.4 9.1 71 90 A R E -N 85 0C 115 -2,-0.4 14,-0.3 14,-0.3 12,-0.1 -0.495 39.9 -89.7 -73.2 151.6 -15.2 -5.2 12.7 72 91 A H > - 0 0 31 12,-2.7 3,-2.1 10,-0.3 -1,-0.1 -0.370 39.0-124.4 -56.4 137.3 -15.4 -8.1 15.1 73 92 A P T 3 S+ 0 0 112 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.676 108.9 55.7 -66.7 -14.2 -18.8 -7.7 16.8 74 93 A G T 3 S+ 0 0 32 8,-0.1 7,-0.1 2,-0.1 9,-0.1 0.363 78.7 128.4 -94.6 1.0 -17.1 -7.8 20.2 75 94 A Y < - 0 0 31 -3,-2.1 2,-0.4 7,-0.2 7,-0.2 -0.377 43.7-156.0 -62.8 139.5 -14.7 -4.9 19.4 76 95 A S > - 0 0 33 5,-1.3 4,-1.9 1,-0.1 5,-0.1 -0.979 16.0-156.1-116.2 128.6 -14.6 -2.0 22.0 77 96 A T T 4 S+ 0 0 105 -2,-0.4 -1,-0.1 1,-0.2 -2,-0.0 0.557 98.3 49.1 -74.5 -9.5 -13.5 1.5 21.0 78 97 A Q T 4 S+ 0 0 171 3,-0.1 -1,-0.2 -3,-0.0 -3,-0.0 0.855 127.5 16.1 -90.8 -48.5 -12.7 2.0 24.7 79 98 A T T 4 S- 0 0 46 2,-0.1 -2,-0.2 3,-0.0 3,-0.1 0.590 89.4-132.6-102.1 -17.4 -10.6 -1.1 25.6 80 99 A H >< + 0 0 33 -4,-1.9 3,-0.7 1,-0.2 -3,-0.1 0.619 45.7 161.3 64.9 20.6 -9.7 -2.3 22.1 81 100 A V T 3 + 0 0 20 1,-0.2 -5,-1.3 -7,-0.1 -1,-0.2 -0.355 67.4 19.6 -59.7 146.7 -10.7 -5.9 23.0 82 101 A N T 3 S- 0 0 32 1,-0.2 2,-2.1 -7,-0.2 -10,-0.3 0.911 81.3-177.9 56.0 49.2 -11.2 -7.9 19.9 83 102 A D < + 0 0 0 -3,-0.7 2,-0.3 -44,-0.1 124,-0.2 -0.479 36.1 110.7 -82.2 74.2 -9.2 -5.5 17.8 84 103 A L + 0 0 0 -2,-2.1 -12,-2.7 -45,-0.3 2,-0.3 -0.996 37.2 176.8-149.1 153.5 -9.7 -7.1 14.4 85 104 A M E -LN 38 71C 0 -47,-2.2 -47,-2.6 -2,-0.3 2,-0.5 -0.990 23.1-134.4-157.6 141.8 -11.5 -6.3 11.2 86 105 A L E -LN 37 70C 0 -16,-2.4 -16,-2.7 -2,-0.3 2,-0.5 -0.920 17.6-159.3-105.8 130.0 -12.0 -7.7 7.7 87 106 A V E -LN 36 69C 0 -51,-3.0 -51,-2.4 -2,-0.5 2,-0.6 -0.938 10.3-143.1-110.8 122.7 -11.7 -5.3 4.7 88 107 A K E -LN 35 68C 11 -20,-2.5 -20,-0.8 -2,-0.5 -21,-0.4 -0.818 14.7-134.1 -93.6 121.3 -13.3 -6.4 1.4 89 108 A L - 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