==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 11-JAN-12 4D8N . COMPND 2 MOLECULE: KALLIKREIN-6; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR X.CHEN,T.XIA,R.WANG . 222 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10399.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 139 62.6 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 34.2 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 . 17 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 16 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 . 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 0 1 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 . 4 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 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 2,-0.3 0.000 360.0 360.0 360.0 155.5 27.4 8.6 47.4 2 17 A V B +A 170 0A 9 168,-2.5 168,-1.0 123,-0.2 123,-0.1 -0.711 360.0 8.0-104.8 144.3 28.7 11.6 49.3 3 18 A H S S+ 0 0 94 -2,-0.3 -1,-0.2 1,-0.2 166,-0.2 0.644 97.1 111.0 70.7 19.6 28.3 12.9 52.9 4 19 A G - 0 0 31 -3,-0.4 133,-0.2 166,-0.1 -1,-0.2 -0.141 56.5-132.6 -97.8-159.2 26.6 9.7 54.1 5 20 A G E -B 136 0B 26 131,-2.2 131,-3.1 -3,-0.1 2,-0.0 -0.916 40.2 -60.9-146.6 176.1 27.7 7.0 56.4 6 21 A P E -B 135 0B 89 0, 0.0 129,-0.3 0, 0.0 128,-0.1 -0.365 59.4-113.0 -63.8 138.8 27.8 3.2 56.6 7 22 A a - 0 0 7 127,-1.9 2,-0.2 47,-0.1 127,-0.1 -0.357 35.1 -94.4 -66.7 148.0 24.3 1.6 56.4 8 23 A D > - 0 0 120 1,-0.1 3,-2.1 3,-0.1 4,-0.3 -0.477 42.1-119.4 -58.7 134.5 22.9 -0.3 59.4 9 24 A K T 3 S+ 0 0 147 1,-0.3 3,-0.3 -2,-0.2 -1,-0.1 0.741 108.1 38.8 -56.9 -30.7 23.8 -3.9 58.7 10 25 A T T 3 S+ 0 0 111 1,-0.2 -1,-0.3 2,-0.1 -2,-0.1 0.352 98.7 80.6-101.0 5.4 20.3 -5.2 58.6 11 26 A S S < S+ 0 0 46 -3,-2.1 -1,-0.2 1,-0.2 -2,-0.1 0.417 86.0 51.4 -98.5 -0.1 18.7 -2.3 56.8 12 27 A H > + 0 0 12 -3,-0.3 3,-1.9 -4,-0.3 -1,-0.2 -0.168 52.9 139.5-132.5 43.8 19.6 -3.0 53.2 13 28 A P T 3 S+ 0 0 25 0, 0.0 89,-1.6 0, 0.0 39,-0.3 0.664 76.1 56.2 -67.1 -12.8 18.6 -6.6 52.3 14 29 A Y T 3 S+ 0 0 16 87,-0.2 16,-2.7 -3,-0.1 2,-0.3 0.482 81.0 113.3 -92.9 -6.1 17.3 -5.4 48.9 15 30 A Q E < -J 29 0C 2 -3,-1.9 37,-0.5 14,-0.2 38,-0.4 -0.511 46.4-167.5 -76.5 132.8 20.6 -3.8 47.8 16 31 A A E -JK 28 51C 0 12,-2.4 12,-1.3 -2,-0.3 2,-0.5 -0.869 12.4-147.6-113.9 150.1 22.4 -5.4 44.9 17 32 A A E -JK 27 50C 0 33,-2.2 33,-2.9 -2,-0.3 2,-0.5 -0.982 12.4-153.2-113.2 129.9 25.9 -4.9 43.6 18 33 A L E -JK 26 49C 0 8,-3.2 7,-3.4 -2,-0.5 8,-1.6 -0.899 16.7-178.2-103.7 127.8 26.5 -5.2 39.9 19 34 A Y E -JK 24 48C 40 29,-3.1 29,-2.7 -2,-0.5 2,-0.3 -0.864 11.8-178.5-118.1 152.7 30.0 -6.2 38.7 20 35 A T E > S+J 23 0C 29 3,-2.0 3,-1.6 -2,-0.3 27,-0.1 -0.947 76.2 3.3-147.1 141.1 31.6 -6.8 35.3 21 36 A S T 3 S- 0 0 110 25,-0.5 3,-0.1 -2,-0.3 26,-0.1 0.799 130.7 -61.7 57.0 28.5 35.2 -7.9 34.6 22 38 A G T 3 S+ 0 0 58 1,-0.2 2,-0.3 26,-0.0 -1,-0.3 0.530 114.8 102.5 82.1 5.9 35.6 -8.2 38.4 23 39 A H E < S-J 20 0C 141 -3,-1.6 -3,-2.0 1,-0.0 -1,-0.2 -0.934 81.0 -94.7-123.1 148.4 35.0 -4.5 39.2 24 40 A L E +J 19 0C 45 -2,-0.3 -5,-0.3 -5,-0.2 3,-0.1 -0.320 44.3 167.0 -55.1 134.1 32.0 -2.7 40.7 25 41 A L E - 0 0 42 -7,-3.4 2,-0.3 1,-0.4 149,-0.2 0.698 54.6 -25.5-115.0 -45.6 29.8 -1.3 37.9 26 42 A b E -J 18 0C 4 -8,-1.6 -8,-3.2 149,-0.1 -1,-0.4 -0.962 54.7-104.6-160.9 167.2 26.5 -0.3 39.4 27 43 A G E -J 17 0C 2 149,-2.6 12,-0.4 -2,-0.3 2,-0.3 -0.453 34.4-178.6 -92.3 177.7 24.0 -0.7 42.2 28 44 A G E -J 16 0C 0 -12,-1.3 -12,-2.4 -2,-0.2 2,-0.4 -0.963 21.3-121.9-164.9 174.0 20.6 -2.4 41.8 29 45 A V E -JL 15 37C 0 8,-2.5 8,-3.1 -2,-0.3 2,-0.5 -0.985 15.4-135.7-134.3 125.1 17.5 -3.4 43.7 30 46 A L E + L 0 36C 0 -16,-2.7 74,-2.1 -2,-0.4 6,-0.2 -0.653 33.8 160.9 -73.9 122.4 16.0 -6.8 44.3 31 47 A I E + 0 0 26 4,-2.2 -1,-0.2 -2,-0.5 5,-0.2 0.424 67.2 14.4-120.7 -3.7 12.2 -6.5 43.7 32 48 A H E > S- L 0 35C 64 3,-1.2 3,-1.2 73,-0.1 -1,-0.4 -0.946 85.0-102.7-166.5 148.3 11.3 -10.2 43.2 33 49 A P T 3 S+ 0 0 47 0, 0.0 62,-3.5 0, 0.0 60,-0.1 0.798 124.7 34.4 -52.7 -27.3 13.2 -13.4 43.9 34 50 A L T 3 S+ 0 0 45 60,-0.2 57,-2.9 1,-0.1 2,-0.4 0.566 113.6 67.9 -99.7 -10.9 14.0 -13.7 40.2 35 51 A W E < -LM 32 90C 4 -3,-1.2 -4,-2.2 55,-0.2 -3,-1.2 -0.935 48.0-172.1-131.5 132.6 14.5 -10.0 39.3 36 52 A V E -LM 30 89C 0 53,-2.5 53,-3.1 -2,-0.4 2,-0.3 -0.945 18.0-146.5-114.3 136.4 16.8 -7.1 40.0 37 53 A L E +LM 29 88C 0 -8,-3.1 -8,-2.5 -2,-0.4 2,-0.3 -0.794 31.9 146.2 -99.4 143.2 16.0 -3.5 38.8 38 54 A T E - M 0 87C 0 49,-2.2 49,-2.2 -2,-0.3 2,-0.2 -0.903 50.2 -63.9-157.9-176.0 18.8 -1.1 37.8 39 55 A A > - 0 0 0 -12,-0.4 3,-1.7 -2,-0.3 47,-0.3 -0.570 36.6-130.1 -81.5 145.5 19.6 1.7 35.4 40 56 A A G > S+ 0 0 2 1,-0.3 3,-1.7 -2,-0.2 -1,-0.1 0.843 107.3 63.7 -61.2 -32.9 19.5 1.0 31.7 41 57 A H G 3 S+ 0 0 67 1,-0.3 -1,-0.3 41,-0.1 135,-0.0 0.513 88.7 72.4 -74.8 1.9 23.0 2.7 31.3 42 58 A b G < + 0 0 0 -3,-1.7 2,-0.4 -15,-0.0 -1,-0.3 0.416 68.4 122.2 -89.6 -0.4 24.3 -0.1 33.5 43 59 A K < + 0 0 110 -3,-1.7 -3,-0.0 -4,-0.1 28,-0.0 -0.508 28.1 142.6 -73.2 123.6 24.0 -2.7 30.8 44 60 A K - 0 0 114 -2,-0.4 3,-0.5 0, 0.0 -2,-0.0 -0.956 53.1 -88.2-147.4 159.0 27.3 -4.4 29.9 45 61 A P S S+ 0 0 98 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.328 103.5 21.9 -67.3 155.1 28.1 -8.0 28.9 46 62 A N S S- 0 0 139 1,-0.2 -25,-0.5 22,-0.1 2,-0.2 0.874 79.3-173.5 59.4 45.6 28.9 -10.6 31.5 47 63 A L - 0 0 11 -3,-0.5 2,-0.5 -27,-0.1 21,-0.4 -0.464 10.2-158.8 -67.2 137.9 27.2 -9.0 34.5 48 64 A Q E -K 19 0C 49 -29,-2.7 -29,-3.1 -2,-0.2 2,-0.5 -0.990 6.4-155.0-116.4 129.9 27.6 -10.5 37.9 49 65 A V E -KN 18 66C 1 17,-3.3 17,-2.3 -2,-0.5 2,-0.5 -0.902 4.5-162.3-107.0 130.1 25.0 -9.7 40.6 50 66 A F E -KN 17 65C 25 -33,-2.9 -33,-2.2 -2,-0.5 2,-0.3 -0.951 8.1-176.0-112.6 127.3 25.8 -9.9 44.3 51 67 A L E +KN 16 64C 6 13,-3.1 13,-2.6 -2,-0.5 -35,-0.1 -0.807 64.2 31.9-113.1 157.8 23.1 -10.0 46.9 52 69 A G S S+ 0 0 6 -37,-0.5 2,-0.3 48,-0.3 10,-0.2 0.671 84.7 144.7 75.4 17.2 23.5 -10.0 50.7 53 70 A K + 0 0 6 -38,-0.4 -1,-0.2 -3,-0.2 3,-0.1 -0.654 22.9 157.5 -95.9 145.7 26.6 -7.9 50.6 54 71 A H S S+ 0 0 26 1,-0.4 80,-2.3 -2,-0.3 2,-0.5 0.560 77.0 33.8-124.6 -51.0 27.7 -5.2 53.0 55 72 A N B > S-P 133 0D 18 78,-0.2 3,-0.6 1,-0.1 -1,-0.4 -0.955 70.8-150.6-113.5 124.2 31.5 -4.9 52.5 56 73 A L T 3 S+ 0 0 29 76,-2.7 -1,-0.1 -2,-0.5 77,-0.1 0.827 91.8 50.2 -65.4 -35.4 32.7 -5.5 49.0 57 74 A G T 3 S+ 0 0 66 75,-0.1 -1,-0.2 2,-0.1 2,-0.1 0.779 96.1 85.7 -75.9 -25.3 36.1 -6.9 49.8 58 75 A Q S < S- 0 0 109 -3,-0.6 2,-1.1 74,-0.1 -4,-0.1 -0.439 76.0-132.3 -83.8 147.5 34.9 -9.5 52.3 59 76 A Q - 0 0 158 -2,-0.1 2,-0.2 -6,-0.0 -1,-0.1 -0.804 38.5-162.9 -92.5 89.7 33.6 -13.0 51.5 60 77 A E > - 0 0 27 -2,-1.1 3,-1.7 -5,-0.2 -7,-0.0 -0.544 25.0-133.5 -88.1 136.9 30.5 -12.7 53.6 61 78 A S T 3 S+ 0 0 137 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.0 0.772 105.5 56.0 -57.0 -25.3 28.6 -15.8 54.7 62 79 A S T 3 S+ 0 0 27 -10,-0.2 -1,-0.3 2,-0.0 38,-0.1 0.553 85.0 109.3 -85.6 -8.9 25.4 -14.0 53.7 63 80 A Q < - 0 0 20 -3,-1.7 2,-0.4 -11,-0.1 -11,-0.2 -0.344 46.0-164.7 -83.1 152.2 26.3 -13.2 50.1 64 81 A E E -N 51 0C 46 -13,-2.6 -13,-3.1 -2,-0.1 2,-0.4 -1.000 5.2-159.4-130.3 130.5 24.9 -14.7 46.9 65 82 A Q E +N 50 0C 88 -2,-0.4 2,-0.3 -15,-0.2 -15,-0.2 -0.908 17.4 169.8-111.3 139.5 26.5 -14.4 43.5 66 83 A S E -N 49 0C 12 -17,-2.3 -17,-3.3 -2,-0.4 2,-0.1 -1.000 28.0-134.9-148.6 145.8 24.6 -14.9 40.3 67 84 A S - 0 0 58 -2,-0.3 25,-2.7 -19,-0.2 26,-0.4 -0.251 34.0-113.3 -79.4-178.7 24.9 -14.4 36.5 68 85 A V E -O 91 0C 36 -21,-0.4 23,-0.2 23,-0.3 3,-0.1 -0.967 23.1-174.4-123.9 136.9 22.1 -12.9 34.5 69 86 A V E S+ 0 0 92 21,-2.7 2,-0.3 -2,-0.4 22,-0.1 0.614 76.8 22.8-107.0 -16.4 20.0 -14.7 31.9 70 87 A R E -O 90 0C 93 20,-1.0 20,-3.0 2,-0.0 2,-0.5 -0.950 56.7-168.2-148.6 131.5 17.9 -11.8 30.6 71 88 A A E -O 89 0C 36 -2,-0.3 2,-0.8 18,-0.2 18,-0.2 -0.962 12.2-168.6-116.1 113.3 18.5 -8.1 30.6 72 89 A V E -O 88 0C 28 16,-3.5 16,-2.7 -2,-0.5 2,-0.2 -0.843 1.7-170.2-110.2 99.4 15.4 -6.2 29.6 73 90 A I E -O 87 0C 43 -2,-0.8 14,-0.2 14,-0.3 12,-0.1 -0.560 40.4 -93.2 -76.4 147.6 16.0 -2.5 29.0 74 91 A H > - 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