==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 14-FEB-02 1GVL . COMPND 2 MOLECULE: KALLIKREIN 6; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR F.X.GOMIS-RUTH,A.BAYES,G.SOTIROPOULOU,G.PAMPALAKIS, . 223 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11065.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 142 63.7 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 . 73 32.7 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 . 5 2.2 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 . 25 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 8.5 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 . 1 0.4 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 . 1 1 5 3 2 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 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 15 A K 0 0 163 0, 0.0 3,-0.3 0, 0.0 4,-0.2 0.000 360.0 360.0 360.0 9.4 -4.8 0.6 40.8 2 16 A L - 0 0 146 1,-0.3 2,-0.9 2,-0.2 0, 0.0 -0.265 360.0 -12.4 -55.0 127.8 -4.4 -2.8 39.3 3 17 A V S S+ 0 0 138 1,-0.2 -1,-0.3 3,-0.1 0, 0.0 0.075 101.7 116.3 69.1 -29.2 -4.0 -2.6 35.5 4 18 A H S S+ 0 0 162 -2,-0.9 -1,-0.2 -3,-0.3 -2,-0.2 0.500 70.2 81.3 -48.0 3.1 -5.2 1.0 35.8 5 19 A G - 0 0 37 -4,-0.2 -3,-0.0 1,-0.1 0, 0.0 -0.278 65.7-154.4-106.6-174.0 -1.8 1.5 34.5 6 20 A G >> - 0 0 16 -2,-0.1 3,-2.4 4,-0.0 4,-0.7 -0.764 49.0 -57.8-148.2-169.7 0.1 1.4 31.3 7 21 A P G >4 S+ 0 0 42 0, 0.0 3,-1.1 0, 0.0 112,-0.0 0.801 124.5 59.7 -52.7 -35.2 3.5 0.8 29.8 8 22 A a G 34 S+ 0 0 23 1,-0.3 129,-0.2 3,-0.0 131,-0.0 0.635 100.8 55.7 -77.7 -7.1 5.2 3.5 31.8 9 23 A D G <4 S+ 0 0 76 -3,-2.4 -1,-0.3 3,-0.0 -4,-0.0 0.649 83.0 115.7 -89.8 -16.1 4.2 1.7 35.1 10 24 A K << - 0 0 135 -3,-1.1 3,-0.1 -4,-0.7 -4,-0.0 -0.224 57.2-154.5 -59.1 138.7 5.9 -1.5 34.0 11 25 A T S S+ 0 0 111 1,-0.2 2,-0.4 0, 0.0 -1,-0.2 0.763 82.2 38.2 -82.7 -28.3 8.8 -2.5 36.1 12 26 A S - 0 0 47 43,-0.0 -1,-0.2 0, 0.0 43,-0.1 -0.961 56.9-166.7-126.7 143.9 10.3 -4.4 33.1 13 27 A H > - 0 0 14 -2,-0.4 3,-1.9 41,-0.3 40,-0.2 -0.872 13.8-166.6-124.8 90.4 10.5 -3.6 29.3 14 28 A P T 3 S+ 0 0 30 0, 0.0 89,-1.5 0, 0.0 39,-0.3 0.597 81.4 50.5 -59.0 -17.7 11.6 -7.0 27.9 15 29 A Y T 3 S+ 0 0 27 87,-0.2 16,-2.4 89,-0.1 2,-0.4 0.416 83.7 108.4-101.1 -1.8 12.5 -5.7 24.4 16 30 A Q E < -A 30 0A 2 -3,-1.9 37,-0.5 14,-0.2 38,-0.5 -0.626 49.1-168.5 -82.1 126.4 14.8 -2.7 25.6 17 31 A A E -A 29 0A 0 12,-2.6 12,-1.2 -2,-0.4 2,-0.4 -0.809 13.1-145.0-110.6 154.1 18.5 -3.2 25.0 18 32 A A E -AB 28 51A 0 33,-2.2 33,-2.3 -2,-0.3 2,-0.5 -0.975 13.1-151.0-116.1 132.4 21.4 -1.1 26.4 19 33 A L E -AB 27 50A 0 8,-2.7 7,-2.5 -2,-0.4 8,-1.3 -0.921 14.8-171.0-108.5 125.0 24.5 -0.6 24.1 20 34 A Y E -AB 25 49A 7 29,-3.1 29,-2.3 -2,-0.5 2,-0.4 -0.875 12.4-176.3-115.8 146.7 27.9 -0.2 25.7 21 35 A T E > S-A 24 0A 24 3,-2.2 3,-2.1 -2,-0.4 27,-0.1 -0.988 77.0 -11.9-138.9 132.7 31.3 0.8 24.4 22 36 A S T 3 S- 0 0 109 -2,-0.4 3,-0.1 25,-0.3 26,-0.1 0.834 130.2 -51.0 44.8 42.4 34.4 0.9 26.5 23 38 A G T 3 S+ 0 0 20 1,-0.2 37,-3.6 36,-0.1 38,-0.4 0.434 115.5 109.1 84.2 -0.7 32.4 0.6 29.8 24 39 A H E < S-A 21 0A 85 -3,-2.1 -3,-2.2 35,-0.2 2,-0.8 -0.918 72.3-122.3-117.7 136.6 29.9 3.4 29.1 25 40 A L E +A 20 0A 23 -2,-0.4 -5,-0.2 -5,-0.2 3,-0.1 -0.622 37.8 170.6 -73.7 108.6 26.2 3.1 28.2 26 41 A L E - 0 0 60 -7,-2.5 151,-0.3 -2,-0.8 2,-0.3 0.779 52.9 -15.0 -94.6 -32.4 26.1 4.9 24.8 27 42 A b E -A 19 0A 3 -8,-1.3 -8,-2.7 149,-0.1 -1,-0.2 -0.978 58.4-112.0-164.8 164.7 22.6 4.3 23.4 28 43 A G E +A 18 0A 0 149,-3.1 12,-0.4 -2,-0.3 2,-0.3 -0.417 33.1 178.4 -96.4-176.7 19.4 2.2 23.8 29 44 A G E -A 17 0A 0 -12,-1.2 -12,-2.6 -2,-0.2 2,-0.4 -0.940 23.5-112.1-171.0 176.8 18.2 -0.3 21.2 30 45 A V E -AC 16 38A 0 8,-2.6 8,-3.2 -2,-0.3 2,-0.5 -0.995 16.3-132.0-134.1 129.2 15.4 -2.8 20.6 31 46 A L E + C 0 37A 0 -16,-2.4 74,-2.4 -2,-0.4 6,-0.2 -0.657 34.9 162.0 -76.8 122.4 15.5 -6.6 20.4 32 47 A I E + 0 0 24 4,-2.2 5,-0.2 -2,-0.5 -1,-0.2 0.472 66.9 14.1-121.0 -5.4 13.5 -7.5 17.2 33 48 A H E > S- C 0 36A 61 3,-1.3 3,-1.6 73,-0.1 -1,-0.4 -0.959 85.4-102.7-162.5 147.1 14.7 -11.1 16.7 34 49 A P T 3 S+ 0 0 40 0, 0.0 62,-2.9 0, 0.0 60,-0.1 0.817 124.5 36.1 -51.4 -25.4 16.6 -13.5 19.0 35 50 A L T 3 S+ 0 0 35 60,-0.2 57,-2.4 1,-0.1 2,-0.4 0.442 113.6 63.1-105.9 1.9 19.8 -12.8 17.1 36 51 A W E < -CD 33 91A 10 -3,-1.6 -4,-2.2 55,-0.2 -3,-1.3 -0.981 49.2-167.8-140.7 137.8 19.3 -9.0 16.3 37 52 A V E -CD 31 90A 0 53,-2.1 53,-3.0 -2,-0.4 2,-0.4 -0.935 18.4-146.7-114.7 137.2 19.0 -5.7 18.0 38 53 A L E +CD 30 89A 0 -8,-3.2 -8,-2.6 -2,-0.4 2,-0.3 -0.880 31.5 147.6-106.3 135.7 17.9 -2.6 16.1 39 54 A T E - D 0 88A 0 49,-2.4 49,-2.2 -2,-0.4 2,-0.2 -0.858 50.0 -66.5-150.0-177.1 19.3 0.8 17.0 40 55 A A > - 0 0 0 -12,-0.4 3,-1.8 -2,-0.3 47,-0.3 -0.577 33.6-131.9 -82.0 144.9 20.2 4.2 15.3 41 56 A A G > S+ 0 0 4 1,-0.3 3,-2.0 -2,-0.2 -1,-0.1 0.821 106.9 68.1 -61.9 -31.6 23.1 4.3 12.9 42 57 A H G 3 S+ 0 0 51 1,-0.3 -1,-0.3 41,-0.1 44,-0.0 0.618 90.2 66.5 -67.8 -6.4 24.3 7.3 14.8 43 58 A b G < S+ 0 0 2 -3,-1.8 -1,-0.3 2,-0.0 -2,-0.2 0.426 70.7 128.9 -91.0 -0.3 25.0 4.9 17.7 44 59 A K < + 0 0 97 -3,-2.0 -3,-0.0 -4,-0.1 28,-0.0 -0.353 25.0 147.6 -63.7 126.8 27.8 3.0 15.8 45 60 A K > - 0 0 106 -2,-0.2 3,-0.6 -25,-0.1 -2,-0.0 -0.944 50.2 -80.7-148.3 160.8 31.0 2.6 17.8 46 61 A P T 3 S+ 0 0 86 0, 0.0 -24,-0.2 0, 0.0 0, 0.0 -0.303 102.8 5.7 -64.7 155.0 33.7 -0.1 18.0 47 63 A N T 3 S- 0 0 138 1,-0.1 -25,-0.3 -26,-0.1 23,-0.0 0.789 81.6-164.6 41.4 49.0 33.3 -3.3 20.0 48 64 A L < - 0 0 7 -3,-0.6 21,-1.9 -27,-0.1 2,-0.4 -0.289 4.4-159.1 -60.0 143.6 29.7 -2.7 21.0 49 65 A Q E -BE 20 68A 41 -29,-2.3 -29,-3.1 19,-0.2 2,-0.4 -0.963 6.1-148.2-124.6 142.5 28.4 -4.8 23.9 50 66 A V E -BE 19 67A 1 17,-2.6 17,-2.6 -2,-0.4 2,-0.5 -0.920 8.0-162.5-119.1 139.1 24.7 -5.4 24.5 51 67 A F E -BE 18 66A 4 -33,-2.3 -33,-2.2 -2,-0.4 2,-0.3 -0.988 13.3-173.3-117.9 128.6 22.7 -6.0 27.7 52 68 A L + 0 0 17 13,-0.6 -35,-0.1 -2,-0.5 50,-0.1 -0.840 64.8 22.3-117.3 154.0 19.2 -7.5 27.5 53 69 A G S S+ 0 0 25 -37,-0.5 2,-0.3 -2,-0.3 -1,-0.1 0.752 87.9 145.3 62.6 28.2 16.6 -8.0 30.2 54 70 A K + 0 0 28 -38,-0.5 -41,-0.3 -3,-0.2 -1,-0.2 -0.669 32.5 177.8 -99.9 153.5 18.2 -5.2 32.4 55 71 A H S S+ 0 0 89 1,-0.4 80,-0.8 -2,-0.3 2,-0.4 0.623 74.9 22.2-119.8 -34.2 16.4 -2.7 34.6 56 72 A N E -G 134 0B 71 78,-0.2 -1,-0.4 67,-0.0 2,-0.3 -0.993 67.8-177.5-143.8 132.2 19.3 -0.8 36.1 57 73 A L E -G 133 0B 1 76,-2.9 76,-3.0 -2,-0.4 2,-0.3 -0.956 7.9-158.5-135.7 148.1 22.9 -0.3 34.8 58 74 A R > - 0 0 99 -2,-0.3 3,-1.4 74,-0.2 2,-0.1 -0.809 35.9 -88.9-121.7 162.8 26.1 1.3 35.8 59 75 A Q T 3 S+ 0 0 81 1,-0.3 -35,-0.2 -2,-0.3 3,-0.2 -0.438 121.2 19.2 -65.7 143.6 29.2 2.6 34.1 60 76 A Q T 3 S- 0 0 116 -37,-3.6 -1,-0.3 1,-0.2 -36,-0.1 0.829 100.9-150.3 59.3 30.1 31.8 -0.2 33.9 61 77 A E < - 0 0 14 -3,-1.4 -1,-0.2 -38,-0.4 -2,-0.1 -0.063 21.1-173.2 -39.6 123.0 28.7 -2.4 34.5 62 78 A S + 0 0 94 -3,-0.2 2,-0.7 2,-0.0 -1,-0.2 0.764 56.0 101.8 -89.9 -40.3 29.8 -5.5 36.3 63 79 A S - 0 0 56 1,-0.1 -5,-0.1 2,-0.1 -2,-0.0 -0.317 66.2-160.1 -52.3 99.0 26.5 -7.4 36.2 64 80 A Q + 0 0 117 -2,-0.7 3,-0.1 1,-0.1 -1,-0.1 0.621 54.8 113.6 -60.7-136.3 27.6 -9.7 33.4 65 81 A E + 0 0 139 1,-0.2 -13,-0.6 -14,-0.1 2,-0.3 0.967 55.3 143.2 59.5 50.8 25.0 -11.5 31.3 66 82 A Q E -E 51 0A 52 -15,-0.1 2,-0.4 -17,-0.0 -1,-0.2 -0.754 42.4-144.0-113.3 165.2 26.1 -9.3 28.3 67 83 A S E -E 50 0A 10 -17,-2.6 -17,-2.6 -2,-0.3 2,-0.1 -0.989 13.5-132.2-135.5 125.9 26.4 -10.3 24.7 68 84 A S E -E 49 0A 51 -2,-0.4 25,-1.5 -19,-0.2 2,-0.5 -0.450 23.2-119.7 -75.8 146.4 29.1 -9.1 22.3 69 85 A V E -F 92 0A 27 -21,-1.9 23,-0.2 23,-0.2 3,-0.1 -0.750 26.8-176.8 -85.6 127.6 28.0 -7.8 18.9 70 86 A V E + 0 0 91 21,-2.7 2,-0.3 -2,-0.5 22,-0.1 0.582 69.8 22.7-102.9 -9.6 29.7 -9.9 16.1 71 87 A R E -F 91 0A 127 20,-1.0 20,-3.3 2,-0.0 2,-0.5 -0.940 60.0-165.5-156.2 132.5 28.3 -7.9 13.1 72 88 A A E -F 90 0A 38 -2,-0.3 2,-0.6 18,-0.2 18,-0.2 -0.984 6.5-169.7-120.6 125.4 27.0 -4.4 12.7 73 89 A V E -F 89 0A 22 16,-3.0 16,-2.4 -2,-0.5 2,-0.3 -0.895 2.6-168.0-120.0 102.4 25.1 -3.4 9.6 74 90 A I E -F 88 0A 44 -2,-0.6 14,-0.2 14,-0.2 12,-0.1 -0.625 41.5 -93.4 -83.6 146.4 24.5 0.2 9.1 75 91 A H > - 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