==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER THIOL PROTEASE INHIBITOR 26-FEB-96 1DVC . COMPND 2 MOLECULE: STEFIN A; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.R.MARTIN,C.J.CRAVEN,R.JERALA,L.KROON-ZITKO,E.ZEROVNIK, . 98 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6255.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 53 54.1 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 . 22 22.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 1.0 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-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 14.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 1 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 11 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 1.0 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 0 0 0 0 0 1 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 . 1 3 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 6 A M 0 0 219 0, 0.0 3,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 138.2 -19.5 2.6 13.1 2 7 A I - 0 0 86 1,-0.2 2,-2.2 2,-0.1 3,-0.3 0.986 360.0-151.4 56.7 75.1 -16.3 1.0 11.9 3 8 A P - 0 0 133 0, 0.0 -1,-0.2 0, 0.0 0, 0.0 -0.476 67.5 -44.8 -77.6 72.3 -13.9 3.4 13.5 4 9 A G - 0 0 25 -2,-2.2 -2,-0.1 -3,-0.3 42,-0.1 0.882 63.7-130.6 66.8 99.5 -11.1 3.0 11.0 5 10 A G + 0 0 33 -3,-0.3 41,-0.2 1,-0.1 -3,-0.0 0.919 51.4 146.8 -43.8 -87.4 -10.6 -0.7 10.1 6 11 A L + 0 0 40 39,-1.3 -1,-0.1 90,-0.1 40,-0.1 0.876 31.3 175.3 52.8 36.0 -6.8 -1.0 10.5 7 12 A S - 0 0 71 1,-0.1 3,-0.2 89,-0.0 89,-0.1 0.069 47.1 -44.4 -60.0-176.8 -7.4 -4.6 11.8 8 13 A E S S- 0 0 158 1,-0.2 2,-2.0 36,-0.1 -1,-0.1 0.017 81.0 -81.8 -44.7 161.4 -4.3 -6.7 12.5 9 14 A A - 0 0 17 35,-0.1 35,-0.2 -3,-0.1 -1,-0.2 -0.467 58.4-147.7 -70.9 86.0 -1.6 -6.5 9.8 10 15 A K E -A 43 0A 74 -2,-2.0 33,-1.5 33,-0.9 2,-0.5 -0.075 24.0 -94.0 -51.7 159.1 -3.2 -9.0 7.4 11 16 A P E -A 42 0A 89 0, 0.0 31,-0.3 0, 0.0 -1,-0.1 -0.658 46.4-110.2 -79.6 118.4 -0.8 -11.1 5.3 12 17 A A - 0 0 24 29,-1.7 31,-0.1 -2,-0.5 43,-0.0 0.048 42.8-174.0 -42.0 159.2 -0.3 -9.5 1.9 13 18 A T > - 0 0 53 29,-0.1 4,-2.2 -3,-0.1 5,-0.2 -0.718 44.4 -78.3-143.1-167.5 -1.9 -11.3 -1.0 14 19 A P T 4 S+ 0 0 108 0, 0.0 4,-0.2 0, 0.0 -2,-0.1 0.698 131.0 49.4 -75.9 -17.0 -2.0 -11.1 -4.9 15 20 A E T > S+ 0 0 144 2,-0.2 4,-1.7 3,-0.1 -3,-0.1 0.840 111.4 47.7 -88.2 -35.4 -4.5 -8.3 -4.6 16 21 A I H >> S+ 0 0 8 2,-0.2 4,-2.1 1,-0.2 3,-0.5 0.977 108.8 51.9 -68.9 -52.9 -2.4 -6.3 -2.1 17 22 A Q H 3X S+ 0 0 53 -4,-2.2 4,-1.4 1,-0.3 -1,-0.2 0.787 108.9 56.3 -54.6 -21.0 0.8 -6.7 -4.1 18 23 A E H 3> S+ 0 0 108 -5,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.908 102.3 52.1 -78.6 -41.1 -1.4 -5.3 -6.9 19 24 A I H S+ 0 0 74 0, 0.0 4,-0.8 0, 0.0 -1,-0.2 0.816 113.1 56.2 -76.7 -31.2 5.4 4.2 -10.6 26 31 A Q H 4 S+ 0 0 73 -4,-0.3 -2,-0.2 1,-0.2 4,-0.2 0.574 107.0 53.8 -76.7 -5.3 3.3 6.7 -8.7 27 32 A L H X>S+ 0 0 0 -4,-0.9 4,-2.2 -3,-0.4 5,-0.7 0.836 101.2 53.4 -95.5 -40.8 5.8 6.4 -5.8 28 33 A E H <5S+ 0 0 62 -4,-1.3 -2,-0.2 1,-0.2 -1,-0.1 0.721 116.7 41.7 -68.2 -17.1 9.0 7.1 -7.7 29 34 A E T <5S+ 0 0 182 -4,-0.8 -1,-0.2 3,-0.1 -2,-0.2 0.569 115.7 48.1-104.9 -11.1 7.5 10.3 -9.0 30 35 A K T 45S+ 0 0 133 -3,-0.4 -2,-0.2 -4,-0.2 -3,-0.1 0.739 127.7 23.0 -98.9 -27.2 5.8 11.4 -5.7 31 36 A T T <5S- 0 0 29 -4,-2.2 -3,-0.2 2,-0.1 -2,-0.1 0.661 102.1-121.8-109.7 -23.3 8.8 10.8 -3.4 32 37 A N < + 0 0 134 -5,-0.7 2,-0.2 1,-0.3 -4,-0.2 0.767 69.4 122.4 87.7 28.6 11.6 11.1 -6.0 33 38 A E - 0 0 87 -6,-0.5 2,-0.3 0, 0.0 -1,-0.3 -0.677 65.7-124.7-115.8 172.8 13.1 7.6 -5.3 34 39 A T + 0 0 116 -2,-0.2 -6,-0.1 -3,-0.1 -5,-0.0 -0.449 39.9 173.8-115.1 60.6 13.7 4.6 -7.6 35 40 A Y - 0 0 18 -2,-0.3 2,-0.2 -11,-0.2 3,-0.1 0.153 6.4-173.5 -53.0-176.1 11.8 1.8 -5.8 36 43 A G + 0 0 24 1,-0.2 24,-0.2 22,-0.1 -1,-0.1 -0.555 49.5 7.0-152.9-140.7 11.5 -1.6 -7.5 37 44 A K - 0 0 155 -2,-0.2 23,-2.0 22,-0.2 2,-0.5 -0.301 60.1-159.1 -53.7 125.3 9.7 -4.9 -6.8 38 45 A L - 0 0 4 21,-0.2 2,-0.2 -21,-0.1 21,-0.2 -0.457 4.6-165.3-108.0 62.9 7.4 -4.2 -3.8 39 46 A E - 0 0 102 -2,-0.5 19,-2.1 19,-0.4 2,-0.1 -0.232 24.1-130.2 -48.3 107.5 6.8 -7.8 -2.6 40 47 A A E + B 0 57A 20 17,-0.2 17,-0.2 -2,-0.2 -23,-0.1 -0.392 35.5 170.5 -64.3 136.9 3.8 -7.1 -0.2 41 48 A V E - 0 0 46 15,-0.6 -29,-1.7 1,-0.5 2,-0.3 0.720 63.5 -4.3-115.1 -44.2 4.3 -8.6 3.2 42 49 A Q E -A 11 0A 60 14,-0.4 14,-1.8 -31,-0.3 -1,-0.5 -0.892 60.2-175.0-142.7 172.8 1.5 -7.2 5.3 43 50 A Y E -AB 10 55A 39 -33,-1.5 -33,-0.9 -2,-0.3 2,-0.4 -0.840 14.9-146.8-174.1 134.8 -1.4 -4.6 4.9 44 51 A K E - B 0 54A 12 10,-0.8 10,-0.5 -2,-0.3 -35,-0.1 -0.874 19.5-142.1-107.9 138.0 -4.1 -3.0 6.9 45 52 A T E - B 0 53A 50 -2,-0.4 -39,-1.3 8,-0.2 2,-0.3 -0.155 19.0-170.8 -84.7-172.7 -7.5 -2.1 5.3 46 53 A Q - 0 0 28 6,-0.6 2,-0.3 -41,-0.2 8,-0.1 -0.918 9.8-138.3-161.8-173.9 -9.5 1.1 6.1 47 54 A V + 0 0 59 -2,-0.3 4,-0.2 4,-0.2 2,-0.1 -0.995 43.6 104.8-158.8 154.2 -12.9 2.8 5.5 48 55 A V S S+ 0 0 99 2,-0.4 -44,-0.0 -2,-0.3 -2,-0.0 -0.555 97.4 0.9 172.4 -97.0 -14.4 6.2 4.7 49 56 A A S S- 0 0 75 -2,-0.1 24,-0.4 24,-0.0 2,-0.1 0.197 141.0 -33.6-100.5 17.1 -15.8 7.0 1.2 50 57 A G S S- 0 0 9 22,-0.1 -2,-0.4 23,-0.1 22,-0.2 -0.567 105.9 -44.6 170.0 -97.1 -14.8 3.4 0.0 51 58 A T E -E 71 0B 38 20,-0.9 20,-0.8 -4,-0.2 -4,-0.2 -0.576 47.1-161.9-167.5 98.0 -11.8 1.6 1.3 52 59 A N E -E 70 0B 16 18,-0.2 -6,-0.6 -2,-0.2 2,-0.3 0.107 21.2-133.8 -66.9-167.8 -8.3 3.1 1.8 53 60 A Y E -B 45 0A 26 16,-0.6 2,-0.3 -8,-0.2 -8,-0.2 -0.974 17.9-162.0-148.9 165.8 -5.3 0.8 2.1 54 61 A Y E +B 44 0A 6 -10,-0.5 -10,-0.8 -2,-0.3 2,-0.4 -0.958 19.1 171.8-148.8 123.1 -2.1 0.1 4.2 55 62 A I E -B 43 0A 1 12,-1.6 2,-1.0 -2,-0.3 -12,-0.3 -0.973 27.1-157.6-143.0 132.2 0.8 -2.0 2.9 56 63 A K E + 0 0 6 -14,-1.8 -15,-0.6 -2,-0.4 -14,-0.4 -0.628 31.9 174.2-103.2 73.8 4.3 -2.7 4.1 57 64 A V E -BC 40 65A 0 8,-1.2 8,-1.1 -2,-1.0 2,-0.3 -0.542 33.8-114.9 -82.3 148.6 5.9 -3.9 0.9 58 65 A R E - C 0 64A 85 -19,-2.1 2,-2.1 6,-0.2 -19,-0.4 -0.626 20.6-129.1 -81.5 135.5 9.6 -4.6 0.7 59 66 A A - 0 0 17 4,-1.1 2,-2.0 -2,-0.3 4,-0.3 -0.410 55.0 -87.6 -83.3 67.9 11.5 -2.2 -1.6 60 67 A G S S+ 0 0 29 -2,-2.1 -1,-0.1 -23,-2.0 -2,-0.1 -0.411 115.0 49.6 67.0 -85.5 13.3 -4.9 -3.6 61 68 A D S S- 0 0 127 -2,-2.0 -2,-0.1 1,-0.1 -25,-0.1 0.149 124.0 -66.7 -68.5-165.0 16.3 -5.3 -1.3 62 92 A N S S+ 0 0 149 -4,-0.1 -2,-0.1 2,-0.0 -1,-0.1 0.741 109.3 103.1 -60.3 -18.7 16.0 -5.8 2.5 63 93 A K - 0 0 123 -4,-0.3 -4,-1.1 -5,-0.1 2,-0.2 -0.080 58.8-159.4 -57.9 167.3 14.6 -2.2 2.5 64 94 A Y E -CD 58 89A 33 25,-0.9 25,-0.7 -6,-0.3 24,-0.3 -0.677 12.7-159.7-135.9-168.7 10.9 -1.8 2.9 65 95 A M E -C 57 0A 0 -8,-1.1 -8,-1.2 -2,-0.2 22,-0.2 -0.457 13.5-141.4 179.4 101.8 8.2 0.9 2.2 66 96 A H - 0 0 0 20,-1.2 2,-0.3 -10,-0.3 -10,-0.2 0.094 25.7-156.5 -55.8-177.0 4.7 1.2 3.7 67 97 A L - 0 0 0 18,-0.2 -12,-1.6 20,-0.0 2,-0.4 -0.990 17.6-161.7-163.4 155.4 1.9 2.3 1.4 68 98 A K E + F 0 84B 47 16,-1.8 16,-2.0 -2,-0.3 15,-0.5 -0.951 17.8 168.0-145.5 121.3 -1.6 4.0 1.4 69 99 A V E - F 0 82B 0 -2,-0.4 -16,-0.6 13,-0.3 2,-0.4 -0.944 24.9-137.4-133.9 156.7 -4.1 3.8 -1.4 70 100 A F E -EF 52 81B 55 11,-1.1 11,-1.0 -2,-0.3 2,-0.5 -0.927 14.6-157.0-114.7 135.7 -7.8 4.7 -1.8 71 101 A K E -E 51 0B 72 -20,-0.8 -20,-0.9 -2,-0.4 2,-0.5 -0.935 10.1-141.8-116.7 126.8 -10.3 2.5 -3.7 72 102 A S - 0 0 65 -2,-0.5 -22,-0.1 1,-0.2 6,-0.1 -0.690 6.0-159.7 -82.8 123.2 -13.5 3.8 -5.2 73 102AA L S S+ 0 0 103 -2,-0.5 -1,-0.2 -24,-0.4 -23,-0.1 0.978 80.0 45.7 -66.6 -50.4 -16.3 1.2 -4.8 74 103 A P S S+ 0 0 89 0, 0.0 2,-0.1 0, 0.0 -2,-0.0 -0.249 85.0 72.4 -81.9 173.7 -18.4 2.7 -7.6 75 104 A G S S- 0 0 62 3,-0.1 3,-0.2 -2,-0.1 0, 0.0 -0.122 73.0-100.2 101.9 157.6 -16.9 3.7 -11.0 76 105 A Q S S+ 0 0 176 1,-0.2 2,-1.3 -2,-0.1 0, 0.0 0.350 94.8 1.4 -88.8-135.5 -15.7 1.7 -14.0 77 105AA N S S- 0 0 136 2,-0.0 -1,-0.2 1,-0.0 -2,-0.0 -0.255 86.7-173.3 -52.7 89.8 -12.0 1.1 -14.7 78 106 A E - 0 0 68 -2,-1.3 2,-0.2 -3,-0.2 -3,-0.1 -0.173 21.0-138.4 -79.5-179.8 -10.8 2.9 -11.6 79 107 A D - 0 0 120 -2,-0.0 -2,-0.0 0, 0.0 -1,-0.0 -0.682 20.5-127.6-144.2 86.4 -7.1 3.6 -10.8 80 108 A L - 0 0 20 -2,-0.2 2,-0.2 1,-0.1 -9,-0.2 -0.001 30.4-142.9 -34.4 121.5 -6.1 3.1 -7.2 81 109 A V E -F 70 0B 68 -11,-1.0 2,-1.3 1,-0.0 -11,-1.1 -0.535 14.7-114.0 -90.5 160.8 -4.5 6.4 -6.2 82 110 A L E +F 69 0B 6 -13,-0.2 -13,-0.3 1,-0.2 3,-0.1 -0.666 34.4 177.4 -94.8 84.0 -1.5 6.6 -3.8 83 111 A T E - 0 0 60 -2,-1.3 2,-0.3 -15,-0.5 -14,-0.2 0.891 65.1 -38.6 -55.4 -38.0 -3.0 8.5 -0.8 84 112 A G E -F 68 0B 16 -16,-2.0 -16,-1.8 -3,-0.2 2,-0.2 -0.936 53.5-161.8-167.7-170.3 0.3 8.2 1.0 85 113 A Y - 0 0 50 -18,-0.3 2,-1.0 -2,-0.3 -18,-0.2 -0.744 24.2-125.8 173.5 136.6 3.4 6.0 1.8 86 114 A Q - 0 0 57 -2,-0.2 -20,-1.2 12,-0.0 3,-0.3 -0.754 32.8-156.6 -97.4 95.6 6.1 5.8 4.4 87 115 A V S S+ 0 0 54 -2,-1.0 -22,-0.1 1,-0.2 -21,-0.1 -0.161 73.6 22.9 -64.0 165.2 9.4 5.8 2.4 88 115AA D S S+ 0 0 104 -24,-0.3 2,-0.3 1,-0.1 -1,-0.2 0.923 91.5 154.1 42.3 55.9 12.5 4.3 4.0 89 116 A K B -D 64 0A 58 -25,-0.7 -25,-0.9 -3,-0.3 2,-0.2 -0.731 29.0-153.1-110.2 162.3 10.4 2.2 6.4 90 117 A N - 0 0 93 -2,-0.3 3,-0.2 -27,-0.1 -25,-0.1 -0.490 33.8 -96.9-119.8-167.4 11.3 -1.1 8.0 91 118 A K S S+ 0 0 148 1,-0.2 -1,-0.0 -2,-0.2 -28,-0.0 0.762 118.9 62.1 -85.6 -24.8 9.5 -4.2 9.4 92 119 A D S S+ 0 0 154 2,-0.1 2,-0.7 1,-0.0 -1,-0.2 0.668 86.9 89.0 -74.5 -11.9 9.5 -2.9 13.0 93 120 A D S S- 0 0 48 -3,-0.2 2,-0.3 3,-0.0 3,-0.0 -0.750 71.7-152.9 -88.6 114.3 7.4 0.1 11.7 94 121 A E - 0 0 119 -2,-0.7 -2,-0.1 1,-0.1 -3,-0.0 -0.627 16.7-131.0 -87.0 145.2 3.7 -0.8 11.9 95 122 A L + 0 0 3 -2,-0.3 -1,-0.1 -41,-0.1 -40,-0.0 0.953 49.9 156.7 -59.3 -48.3 1.3 0.9 9.5 96 123 A T - 0 0 68 1,-0.1 2,-1.4 -89,-0.1 -52,-0.1 0.041 68.3 -24.3 47.7-168.5 -1.1 1.9 12.4 97 124 A G 0 0 58 -91,-0.1 -1,-0.1 -93,-0.0 -43,-0.0 -0.530 360.0 360.0 -72.9 94.8 -3.4 4.8 11.7 98 125 A F 0 0 52 -2,-1.4 -14,-0.1 -14,-0.0 -12,-0.0 -0.935 360.0 360.0-135.5 360.0 -1.3 6.6 9.0