==== 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 SERINE PROTEASE INHIBITOR 01-APR-97 2REL . COMPND 2 MOLECULE: R-ELAFIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.FRANCART,M.DAUCHEZ,A.J.P.ALIX,G.LIPPENS . 57 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4868.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 17 29.8 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 . 5 8.8 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 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 . 1 1.8 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 . 10 17.5 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+3), SAME NUMBER PER 100 RESIDUES . 0 0.0 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+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 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 . 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 1 A A 0 0 158 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 176.5 11.4 -3.1 -25.1 2 2 A Q - 0 0 188 1,-0.1 0, 0.0 2,-0.0 0, 0.0 -0.221 360.0 -90.0 -87.3-176.1 11.4 -1.1 -21.9 3 3 A E - 0 0 100 1,-0.0 2,-2.1 2,-0.0 -1,-0.1 -0.774 29.5-119.5-100.0 145.2 8.4 0.8 -20.4 4 4 A P - 0 0 100 0, 0.0 2,-1.4 0, 0.0 -1,-0.0 -0.466 53.6 -97.2 -78.5 69.6 7.6 4.4 -21.3 5 5 A V S S+ 0 0 135 -2,-2.1 2,-0.2 2,-0.0 -2,-0.0 -0.243 104.8 16.4 51.9 -88.8 7.8 5.8 -17.7 6 6 A K S S+ 0 0 153 -2,-1.4 3,-0.1 1,-0.1 0, 0.0 -0.617 74.8 111.6-106.7 170.1 4.1 5.6 -17.1 7 7 A G S S+ 0 0 65 1,-0.6 -1,-0.1 -2,-0.2 -2,-0.0 -0.291 70.4 44.7 167.5 -71.5 1.3 3.8 -19.0 8 8 A P S S- 0 0 77 0, 0.0 2,-0.9 0, 0.0 -1,-0.6 0.273 118.7 -55.4 -77.9-153.2 -0.3 0.9 -17.1 9 9 A V S S- 0 0 81 1,-0.1 -3,-0.0 -3,-0.1 0, 0.0 -0.097 93.2 -83.4 -83.5 42.1 -1.4 1.1 -13.4 10 10 A S - 0 0 49 -2,-0.9 -1,-0.1 1,-0.1 -4,-0.1 0.835 41.2-157.9 60.0 108.6 2.2 2.1 -12.4 11 11 A T S S+ 0 0 90 1,-0.2 -1,-0.1 2,-0.1 -5,-0.1 0.716 90.2 35.1 -89.7 -21.0 4.4 -0.9 -12.0 12 12 A K S S+ 0 0 158 1,-0.1 -1,-0.2 3,-0.0 -2,-0.1 -0.571 75.6 139.8-133.1 72.4 6.9 1.0 -9.7 13 13 A P - 0 0 60 0, 0.0 2,-0.2 0, 0.0 -2,-0.1 0.919 63.2 -59.4 -77.5 -93.2 4.8 3.4 -7.6 14 14 A G - 0 0 37 30,-0.2 2,-0.4 43,-0.0 43,-0.1 -0.480 57.4 -79.7-136.5-151.4 6.1 3.5 -4.0 15 15 A S - 0 0 60 -2,-0.2 42,-0.4 -3,-0.1 30,-0.1 -0.972 37.7-117.9-126.0 137.8 6.6 1.2 -1.1 16 16 A a - 0 0 39 -2,-0.4 31,-0.1 40,-0.1 28,-0.1 -0.371 23.1-121.9 -70.2 152.7 4.0 -0.1 1.4 17 17 A P - 0 0 54 0, 0.0 -1,-0.1 0, 0.0 30,-0.0 0.196 53.8-105.8 -79.1 16.1 4.4 0.8 5.1 18 18 A I - 0 0 136 1,-0.1 2,-0.4 28,-0.1 4,-0.1 0.657 42.0-161.3 62.6 123.8 4.4 -2.9 6.0 19 19 A I - 0 0 40 2,-0.4 2,-0.4 27,-0.1 29,-0.1 -0.967 47.9 -61.4-143.7 126.4 1.2 -4.1 7.7 20 20 A L S S- 0 0 151 -2,-0.4 28,-0.1 2,-0.1 27,-0.0 -0.028 99.9 -64.2 37.1 -87.4 0.6 -7.2 9.8 21 21 A I S S- 0 0 108 -2,-0.4 -2,-0.4 -3,-0.0 27,-0.3 0.130 76.2 -64.8-150.2 -85.3 1.6 -9.6 6.9 22 22 A R - 0 0 162 26,-0.1 28,-0.1 25,-0.1 -2,-0.1 0.155 49.2-129.6-173.9 35.2 -0.5 -9.7 3.7 23 23 A b - 0 0 32 1,-0.2 2,-0.8 26,-0.1 27,-0.2 0.589 26.6-173.3 5.1 91.4 -4.0 -11.1 4.5 24 24 A A + 0 0 101 25,-0.1 -1,-0.2 1,-0.1 3,-0.1 -0.451 42.9 114.0-101.9 61.5 -4.1 -13.9 1.9 25 25 A M S S- 0 0 161 -2,-0.8 -1,-0.1 1,-0.2 2,-0.1 0.715 76.9 -51.5 -96.1-100.1 -7.8 -14.9 2.5 26 26 A L S S- 0 0 130 -3,-0.0 -1,-0.2 0, 0.0 0, 0.0 0.018 82.8 -47.7-117.7-134.2 -10.4 -14.2 -0.2 27 27 A N - 0 0 148 -3,-0.1 -3,-0.0 -2,-0.1 0, 0.0 -0.770 61.6-175.5-111.8 90.5 -11.3 -11.1 -2.2 28 28 A P - 0 0 44 0, 0.0 22,-0.1 0, 0.0 23,-0.1 -0.230 29.3 -96.5 -76.1 168.3 -11.7 -8.2 0.2 29 29 A P - 0 0 111 0, 0.0 22,-0.5 0, 0.0 2,-0.3 -0.166 34.5-153.2 -77.9 174.9 -12.8 -4.7 -0.8 30 30 A N - 0 0 70 20,-0.2 22,-0.2 1,-0.1 3,-0.1 -0.961 21.3-155.6-155.3 135.0 -10.4 -1.8 -1.6 31 31 A R S S+ 0 0 219 20,-1.6 2,-0.3 -2,-0.3 21,-0.2 0.612 89.4 6.3 -85.9 -10.2 -10.7 2.0 -1.4 32 32 A c + 0 0 9 19,-0.4 19,-0.2 13,-0.1 -1,-0.2 -0.983 54.7 156.1-161.0 163.8 -8.0 2.4 -4.0 33 33 A L S S- 0 0 71 -2,-0.3 3,-0.1 -3,-0.1 19,-0.1 0.211 86.6 -10.8-158.0 -60.5 -5.9 0.2 -6.4 34 34 A K S S+ 0 0 122 1,-0.1 2,-1.8 3,-0.0 10,-0.1 0.637 126.3 64.3-120.4 -39.7 -4.6 2.0 -9.4 35 35 A D S S- 0 0 131 2,-0.1 -1,-0.1 0, 0.0 -26,-0.0 -0.346 79.9-162.2 -84.5 58.4 -6.5 5.3 -9.3 36 36 A T - 0 0 49 -2,-1.8 -4,-0.1 1,-0.2 6,-0.0 -0.131 8.0-168.4 -42.6 125.3 -4.8 6.4 -6.0 37 37 A D + 0 0 111 -6,-0.1 -1,-0.2 2,-0.1 16,-0.1 -0.231 37.4 131.6-114.5 44.9 -7.1 9.1 -4.6 38 38 A d - 0 0 20 4,-0.1 2,-1.0 2,-0.1 4,-0.5 -0.872 50.9-143.1-102.2 116.2 -4.8 10.4 -1.8 39 39 A P S S+ 0 0 134 0, 0.0 2,-0.4 0, 0.0 -2,-0.1 -0.636 75.6 16.0 -78.0 102.7 -4.4 14.2 -1.8 40 40 A G S S- 0 0 70 -2,-1.0 2,-0.2 2,-0.1 -2,-0.1 -0.988 125.4 -25.3 139.8-130.3 -0.7 14.8 -0.8 41 41 A I S S+ 0 0 115 -2,-0.4 2,-0.2 2,-0.0 -1,-0.0 -0.413 93.5 119.1-118.0 58.1 2.2 12.3 -0.8 42 42 A K - 0 0 103 -4,-0.5 2,-0.3 13,-0.2 13,-0.2 -0.528 42.2-158.5-111.5-178.0 0.4 9.0 -0.5 43 43 A K E -A 54 0A 38 11,-1.0 11,-1.7 -2,-0.2 2,-0.3 -0.869 31.4-105.1-164.1 125.9 0.2 5.9 -2.7 44 44 A c E +A 53 0A 6 -2,-0.3 9,-0.2 9,-0.2 -30,-0.2 -0.342 59.3 153.2 -56.2 112.8 -2.4 3.1 -2.8 45 45 A a E -A 52 0A 10 7,-2.1 7,-1.2 -2,-0.3 2,-0.6 -0.435 49.2 -81.4-124.8-159.6 -0.6 0.1 -1.2 46 46 A E E -A 51 0A 83 5,-0.2 2,-1.2 -2,-0.2 5,-0.2 -0.917 27.8-168.2-116.4 113.5 -1.6 -3.0 0.7 47 47 A G - 0 0 13 3,-1.5 -25,-0.1 -2,-0.6 -27,-0.1 -0.426 66.6 -76.5 -94.5 62.3 -2.4 -2.6 4.4 48 48 A S S S+ 0 0 23 -2,-1.2 -26,-0.1 -27,-0.3 -1,-0.1 0.924 120.3 14.7 44.5 85.5 -2.5 -6.3 5.2 49 49 A b S S+ 0 0 67 -26,-0.2 -26,-0.1 -30,-0.1 -2,-0.1 0.751 126.7 14.7 87.4 104.3 -5.9 -7.2 3.7 50 50 A G S S- 0 0 18 -27,-0.2 -3,-1.5 -28,-0.1 2,-0.3 0.169 82.7-104.3 82.5 153.1 -7.5 -4.6 1.4 51 51 A M E +A 46 0A 42 -22,-0.5 -20,-1.6 -5,-0.2 -19,-0.4 -0.744 45.4 146.6-111.3 162.2 -5.6 -1.6 -0.2 52 52 A A E -A 45 0A 20 -7,-1.2 -7,-2.1 -2,-0.3 2,-0.7 -0.942 55.2 -42.9-170.9-170.4 -5.8 2.1 0.7 53 53 A d E +A 44 0A 54 -2,-0.3 2,-0.4 -9,-0.2 -9,-0.2 -0.613 60.6 167.1 -77.1 115.7 -3.8 5.3 0.9 54 54 A F E -A 43 0A 44 -11,-1.7 -11,-1.0 -2,-0.7 -39,-0.1 -0.987 41.8-107.1-129.5 137.4 -0.3 4.5 2.3 55 55 A V - 0 0 68 -2,-0.4 2,-1.6 -13,-0.2 -13,-0.2 -0.430 26.9-133.1 -63.1 131.8 2.8 6.8 2.3 56 56 A P 0 0 25 0, 0.0 -40,-0.1 0, 0.0 -1,-0.1 -0.284 360.0 360.0 -81.3 51.4 5.3 5.5 -0.3 57 57 A Q 0 0 205 -2,-1.6 -2,-0.1 -42,-0.4 -41,-0.0 -0.137 360.0 360.0 67.2 360.0 8.2 5.9 2.1