==== 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 2QXH . 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) . 10575.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 139 61.8 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 . 75 33.3 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 . 16 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 10.7 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 4 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 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 3,-0.4 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 124.8 8.5 -0.1 14.1 2 17 A I B -A 170 0A 10 168,-3.3 168,-1.2 1,-0.2 122,-0.1 -0.764 360.0 -3.7 -96.4 137.8 11.0 1.0 16.7 3 18 A D S S+ 0 0 87 120,-0.6 -1,-0.2 -2,-0.4 166,-0.1 0.859 103.5 121.8 53.8 43.4 14.6 -0.0 16.7 4 19 A G - 0 0 37 -3,-0.4 133,-0.2 133,-0.1 -1,-0.1 -0.239 52.1-127.4-114.2-156.0 14.2 -2.4 13.7 5 20 A A E -B 136 0B 54 131,-2.4 131,-3.5 -2,-0.1 -3,-0.0 -0.972 41.4 -68.9-153.0 161.4 15.6 -2.8 10.2 6 21 A P E -B 135 0B 79 0, 0.0 129,-0.3 0, 0.0 3,-0.1 -0.292 56.8-116.6 -55.6 133.6 14.3 -3.2 6.6 7 22 A a - 0 0 11 127,-2.8 2,-0.2 1,-0.1 3,-0.1 -0.290 44.0 -80.9 -66.4 160.2 12.6 -6.5 6.2 8 23 A A > - 0 0 67 1,-0.1 3,-2.3 2,-0.1 4,-0.3 -0.451 59.2 -95.9 -65.5 131.9 14.1 -8.9 3.7 9 24 A R T 3 S+ 0 0 154 1,-0.3 -1,-0.1 -2,-0.2 44,-0.0 -0.246 105.0 0.9 -52.8 122.8 13.1 -8.0 0.2 10 25 A G T 3 S+ 0 0 35 2,-0.1 -1,-0.3 -3,-0.1 -2,-0.1 0.493 97.5 113.7 77.1 4.6 10.1 -10.0 -1.0 11 26 A S S < S+ 0 0 49 -3,-2.3 -2,-0.1 1,-0.2 3,-0.1 0.548 73.6 50.9 -84.5 -8.1 9.8 -11.9 2.3 12 27 A H > + 0 0 17 -4,-0.3 3,-1.8 1,-0.1 -1,-0.2 -0.402 57.6 149.7-126.2 57.3 6.4 -10.3 3.2 13 28 A P T 3 S+ 0 0 14 0, 0.0 87,-1.3 0, 0.0 39,-0.3 0.637 74.7 56.6 -64.9 -12.6 4.2 -10.7 0.1 14 29 A W T 3 S+ 0 0 45 85,-0.2 16,-2.7 -3,-0.1 2,-0.3 0.417 83.2 105.4 -97.6 -0.6 1.1 -10.9 2.3 15 30 A Q E < +I 29 0C 6 -3,-1.8 37,-0.4 14,-0.2 2,-0.3 -0.651 45.8 172.5 -81.3 133.8 1.8 -7.5 3.9 16 31 A V E -I 28 0C 1 12,-2.1 12,-1.2 -2,-0.3 2,-0.4 -0.861 24.2-134.5-133.3 167.9 -0.5 -4.6 2.7 17 32 A A E -IJ 27 50C 0 33,-1.6 33,-2.7 -2,-0.3 2,-0.6 -0.976 10.6-141.2-126.0 140.6 -0.9 -1.0 3.8 18 33 A L E -IJ 26 49C 0 8,-3.6 7,-2.4 -2,-0.4 8,-1.9 -0.925 28.3-166.3-102.1 121.5 -4.3 0.6 4.3 19 34 A L E -IJ 24 48C 9 29,-3.1 29,-1.6 -2,-0.6 2,-0.9 -0.784 28.3-139.2-112.7 154.5 -4.1 4.2 3.0 20 35 A S E > S-I 23 0C 63 3,-3.1 3,-1.2 -2,-0.3 2,-0.9 -0.899 90.4 -43.5-106.4 94.8 -6.3 7.3 3.4 21 36 A G T 3 S- 0 0 45 -2,-0.9 -2,-0.1 1,-0.2 27,-0.0 -0.729 127.1 -29.0 79.0-110.2 -6.0 8.5 -0.2 22 38 A N T 3 S+ 0 0 138 -2,-0.9 2,-0.4 2,-0.1 -1,-0.2 0.006 118.4 103.5-126.6 27.3 -2.3 7.9 -0.6 23 39 A Q E < S-I 20 0C 141 -3,-1.2 -3,-3.1 34,-0.0 34,-0.0 -0.938 78.3-106.2-115.1 130.4 -1.4 8.4 3.1 24 40 A L E +I 19 0C 34 -2,-0.4 -5,-0.2 -5,-0.2 3,-0.1 -0.227 44.3 159.9 -55.0 132.6 -0.5 5.6 5.4 25 41 A H E - 0 0 69 -7,-2.4 2,-0.3 1,-0.5 149,-0.2 0.659 62.9 -25.1-118.0 -49.7 -3.3 4.8 8.0 26 42 A b E -I 18 0C 6 -8,-1.9 -8,-3.6 149,-0.1 -1,-0.5 -0.974 57.5-107.6-159.3 168.6 -2.5 1.2 9.1 27 43 A G E +I 17 0C 1 149,-2.9 12,-0.4 -2,-0.3 2,-0.3 -0.290 37.7 172.0 -91.1-176.4 -0.9 -2.1 8.1 28 44 A G E -I 16 0C 0 -12,-1.2 -12,-2.1 10,-0.1 2,-0.4 -0.973 25.7-117.4-177.0 175.4 -2.7 -5.2 7.2 29 45 A V E -IK 15 37C 0 8,-2.4 8,-3.0 -2,-0.3 2,-0.6 -0.989 23.8-121.5-134.4 142.7 -2.5 -8.8 5.8 30 46 A L E + K 0 36C 1 -16,-2.7 72,-2.8 -2,-0.4 6,-0.2 -0.734 27.2 175.9 -85.4 121.3 -3.9 -10.4 2.7 31 47 A V E - 0 0 11 4,-2.6 2,-0.3 -2,-0.6 -1,-0.2 0.851 67.1 -30.7 -89.5 -44.2 -6.1 -13.3 3.6 32 48 A N E > S- K 0 35C 39 3,-1.4 3,-1.3 69,-0.1 -1,-0.4 -0.934 84.2 -64.4-160.6 178.9 -7.3 -14.1 0.1 33 49 A E T 3 S+ 0 0 58 -2,-0.3 60,-2.8 1,-0.3 58,-0.1 0.662 131.9 29.4 -46.6 -24.1 -8.0 -12.3 -3.3 34 50 A R T 3 S+ 0 0 83 58,-0.2 55,-2.5 1,-0.1 2,-0.4 0.471 110.8 68.7-119.5 -3.0 -10.8 -10.3 -1.8 35 51 A W E < -KL 32 88C 5 -3,-1.3 -4,-2.6 53,-0.2 -3,-1.4 -0.966 45.9-171.1-132.2 139.6 -10.0 -9.8 1.9 36 52 A V E -KL 30 87C 0 51,-2.4 51,-3.1 -2,-0.4 2,-0.4 -0.945 17.2-147.2-118.5 138.2 -7.5 -8.0 4.0 37 53 A L E +KL 29 86C 0 -8,-3.0 -8,-2.4 -2,-0.4 2,-0.2 -0.901 35.8 139.6-106.7 134.4 -7.3 -8.6 7.8 38 54 A T E - L 0 85C 0 47,-2.6 47,-2.9 -2,-0.4 2,-0.3 -0.832 52.1 -57.6-154.9-170.6 -6.4 -5.6 10.0 39 55 A A > - 0 0 0 -12,-0.4 3,-1.4 45,-0.3 45,-0.3 -0.617 34.2-135.8 -85.3 143.9 -7.1 -3.9 13.3 40 56 A A G > S+ 0 0 1 -2,-0.3 3,-1.7 1,-0.3 -1,-0.1 0.777 103.4 65.1 -67.1 -28.2 -10.6 -2.7 14.1 41 57 A H G 3 S+ 0 0 42 1,-0.3 -1,-0.3 39,-0.1 135,-0.0 0.565 91.1 67.8 -73.2 -2.2 -9.3 0.6 15.4 42 58 A b G < S+ 0 0 0 -3,-1.4 -1,-0.3 2,-0.1 -2,-0.2 0.331 73.8 144.7 -94.5 5.1 -8.2 1.3 11.8 43 59 A K < + 0 0 85 -3,-1.7 2,-0.3 2,-0.0 3,-0.1 -0.157 18.5 163.5 -49.5 129.1 -11.8 1.5 10.7 44 60 A M - 0 0 33 1,-0.1 3,-0.1 23,-0.0 -2,-0.1 -0.928 51.1-107.6-142.4 164.9 -12.5 4.1 8.0 45 61 A N S S- 0 0 136 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.935 100.4 -13.3 -59.9 -47.7 -15.4 4.8 5.5 46 62 A E - 0 0 92 -3,-0.1 2,-0.3 22,-0.1 21,-0.2 -0.957 68.5-154.0-149.9 165.1 -13.2 3.5 2.7 47 63 A Y E - M 0 66C 2 19,-3.2 19,-2.7 -2,-0.3 2,-0.5 -0.899 16.9-134.2-140.0 168.1 -9.6 2.6 2.0 48 64 A T E -JM 19 65C 30 -29,-1.6 -29,-3.1 -2,-0.3 2,-0.5 -0.999 30.3-144.9-122.3 122.8 -6.9 2.3 -0.7 49 65 A V E -JM 18 64C 0 15,-3.5 15,-2.0 -2,-0.5 2,-0.5 -0.834 6.1-155.5-100.4 126.6 -5.0 -0.9 -0.4 50 66 A H E +JM 17 63C 1 -33,-2.7 -33,-1.6 -2,-0.5 2,-0.3 -0.848 24.9 162.7 -98.0 127.0 -1.3 -1.1 -1.2 51 67 A L E + M 0 62C 2 11,-2.2 11,-2.1 -2,-0.5 -35,-0.1 -0.961 41.9 37.2-141.8 158.5 0.1 -4.5 -2.2 52 69 A G S S+ 0 0 17 -37,-0.4 2,-0.3 46,-0.4 47,-0.1 0.690 92.7 76.1 78.9 21.6 3.1 -6.0 -3.9 53 70 A S - 0 0 18 -38,-0.3 5,-0.1 -41,-0.2 4,-0.1 -0.891 60.2-148.0-165.6 133.6 6.0 -3.9 -2.7 54 71 A D S S+ 0 0 14 -2,-0.3 80,-2.1 2,-0.1 2,-0.7 0.562 88.2 83.6 -74.5 -9.6 8.2 -3.4 0.4 55 72 A T B > S-O 133 0D 31 78,-0.2 3,-1.6 -3,-0.0 2,-0.3 -0.870 80.3-140.0-100.3 111.1 8.4 0.2 -0.7 56 73 A L T 3 S+ 0 0 36 76,-2.9 3,-0.1 -2,-0.7 -2,-0.1 -0.527 92.0 23.2 -68.7 129.5 5.4 2.2 0.5 57 74 A G T 3 S+ 0 0 56 1,-0.3 -1,-0.3 -2,-0.3 2,-0.2 0.605 83.0 165.7 88.6 10.3 4.4 4.6 -2.2 58 75 A D X - 0 0 44 -3,-1.6 3,-1.7 1,-0.2 -1,-0.3 -0.475 36.7-141.5 -61.3 123.9 6.1 2.5 -4.9 59 76 A R T 3 S+ 0 0 217 1,-0.3 -1,-0.2 -2,-0.2 -3,-0.0 0.724 100.9 49.3 -61.8 -22.0 4.7 3.9 -8.1 60 77 A R T 3 S+ 0 0 227 2,-0.1 -1,-0.3 -8,-0.0 2,-0.1 0.308 86.2 116.9-100.3 7.2 4.6 0.3 -9.5 61 78 A A S < S- 0 0 11 -3,-1.7 2,-0.2 -6,-0.1 -9,-0.2 -0.396 73.7-103.5 -75.0 152.7 2.7 -1.2 -6.5 62 79 A Q E -M 51 0C 42 -11,-2.1 -11,-2.2 -2,-0.1 2,-0.4 -0.552 37.8-164.7 -76.1 138.7 -0.7 -2.7 -6.9 63 80 A R E +M 50 0C 97 -2,-0.2 2,-0.4 -13,-0.2 -13,-0.2 -0.990 9.0 178.9-131.9 127.3 -3.5 -0.4 -5.6 64 81 A I E -M 49 0C 7 -15,-2.0 -15,-3.5 -2,-0.4 2,-0.2 -0.991 24.3-129.4-132.4 133.9 -7.1 -1.5 -4.8 65 82 A K E -M 48 0C 76 -2,-0.4 25,-2.8 -17,-0.2 2,-0.4 -0.532 21.1-166.0 -77.3 141.6 -10.0 0.5 -3.5 66 83 A A E +MN 47 89C 0 -19,-2.7 -19,-3.2 23,-0.2 23,-0.2 -0.990 18.1 166.2-132.3 123.0 -11.9 -1.0 -0.5 67 84 A S E + 0 0 47 21,-0.6 2,-0.4 -2,-0.4 -1,-0.1 0.679 60.5 64.0-108.0 -25.6 -15.3 0.3 0.5 68 87 A K E + N 0 88C 130 20,-0.8 20,-2.6 -21,-0.1 2,-0.3 -0.867 54.5 165.4-108.1 135.3 -16.7 -2.4 2.8 69 88 A S E - N 0 87C 8 -2,-0.4 2,-0.4 18,-0.2 18,-0.2 -0.990 16.9-158.8-144.2 148.4 -15.1 -3.3 6.2 70 89 A F E - N 0 86C 59 16,-2.9 16,-2.3 -2,-0.3 2,-0.1 -0.915 7.0-153.5-138.3 110.5 -16.4 -5.3 9.1 71 90 A R E - N 0 85C 109 -2,-0.4 14,-0.2 14,-0.3 12,-0.1 -0.434 40.1 -89.7 -77.2 152.0 -15.1 -5.1 12.7 72 91 A H > - 0 0 33 12,-2.4 3,-2.1 10,-0.3 -1,-0.1 -0.381 39.0-123.1 -58.3 137.0 -15.4 -8.1 15.0 73 92 A P T 3 S+ 0 0 108 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.729 109.5 56.0 -58.4 -21.8 -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 2,-0.1 0.326 78.8 128.3 -93.7 8.7 -17.0 -7.7 20.2 75 94 A Y < - 0 0 32 -3,-2.1 2,-0.5 9,-0.1 7,-0.2 -0.395 43.9-156.4 -68.2 139.7 -14.7 -4.9 19.4 76 95 A S > - 0 0 22 5,-1.3 4,-2.1 -2,-0.1 5,-0.1 -0.975 17.6-159.2-120.4 124.7 -14.6 -2.0 21.9 77 96 A T T 4 S+ 0 0 96 -2,-0.5 -1,-0.1 1,-0.2 -2,-0.0 0.555 98.6 52.8 -74.9 -5.3 -13.5 1.5 20.9 78 97 A Q T 4 S+ 0 0 164 3,-0.1 -1,-0.2 -3,-0.0 -3,-0.0 0.900 127.0 11.9 -92.9 -55.8 -12.9 1.9 24.6 79 98 A T T 4 S- 0 0 62 2,-0.1 -2,-0.2 3,-0.0 3,-0.1 0.616 88.9-131.6-100.7 -17.2 -10.7 -1.1 25.6 80 99 A H >< + 0 0 35 -4,-2.1 3,-0.7 1,-0.2 -3,-0.1 0.699 47.9 159.5 70.7 21.2 -9.7 -2.3 22.1 81 100 A V T 3 + 0 0 21 1,-0.3 -5,-1.3 -7,-0.1 -1,-0.2 -0.476 67.1 20.4 -70.7 148.2 -10.6 -5.8 23.0 82 101 A N T 3 S- 0 0 33 1,-0.2 2,-2.0 -7,-0.2 -10,-0.3 0.913 82.8-179.4 55.8 46.4 -11.2 -7.9 19.9 83 102 A D < + 0 0 0 -3,-0.7 2,-0.3 -8,-0.1 -1,-0.2 -0.474 34.2 110.0 -80.0 71.2 -9.3 -5.4 17.8 84 103 A L - 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