==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 16-JAN-13 4ISN . COMPND 2 MOLECULE: KUNITZ-TYPE PROTEASE INHIBITOR 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.D.HUANG,B.Y.ZHAO,C.YUAN,R.LI . 303 2 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13271.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 183 60.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 88 29.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 1.0 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 . 20 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 21 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 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 1 0 0 2 1 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 . 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 . 6 4 0 4 3 2 1 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 0 0 1 0 0 1 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 1 245 B Q > 0 0 145 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -52.7 -28.9 36.2 23.9 2 246 B T H >> + 0 0 75 2,-0.2 4,-2.1 1,-0.2 5,-1.9 0.694 360.0 70.1 -71.3 -22.7 -27.3 36.1 27.3 3 247 B E H 4>S+ 0 0 129 3,-0.2 5,-0.8 2,-0.2 4,-0.3 0.922 108.9 29.0 -51.0 -50.0 -27.8 32.5 26.4 4 248 B D H 45S+ 0 0 80 3,-0.2 40,-0.5 1,-0.1 -2,-0.2 0.897 126.2 43.3 -82.5 -44.0 -25.0 32.8 23.8 5 249 B Y H <5S+ 0 0 89 -4,-2.3 19,-0.3 38,-0.2 -3,-0.2 0.665 134.9 8.5 -78.8 -18.8 -22.9 35.5 25.5 6 250 B a T <5S+ 0 0 1 -4,-2.1 -3,-0.2 -5,-0.1 -2,-0.1 0.619 126.4 47.5-136.4 -33.3 -23.0 34.2 29.1 7 251 B L T >> -J 30 0B 28 5,-2.5 5,-1.5 -2,-0.5 3,-1.4 -0.876 5.7-168.7-102.7 101.6 -19.1 30.8 34.2 26 270 B P T 345S+ 0 0 24 0, 0.0 35,-0.5 0, 0.0 -1,-0.1 0.618 80.6 66.8 -72.4 -11.6 -22.7 31.1 35.3 27 271 B T T 345S+ 0 0 127 1,-0.2 33,-0.0 3,-0.1 -2,-0.0 0.784 119.5 22.9 -71.2 -28.1 -22.5 28.4 38.0 28 272 B E T <45S- 0 0 114 -3,-1.4 -1,-0.2 2,-0.2 3,-0.1 0.367 100.9-127.0-117.7 -0.9 -20.1 30.7 39.9 29 273 B Q T <5S+ 0 0 113 -4,-1.0 2,-0.3 1,-0.2 29,-0.1 0.868 72.2 119.3 52.1 41.6 -21.2 34.1 38.4 30 274 B I E < -J 25 0B 86 -5,-1.5 -5,-2.5 -7,-0.0 2,-0.4 -0.994 66.2-122.4-141.3 139.1 -17.5 34.7 37.6 31 275 B c E -J 24 0B 9 -2,-0.3 2,-0.3 -7,-0.2 -7,-0.2 -0.700 33.2-173.1 -83.6 130.9 -15.4 35.3 34.5 32 276 B K E -J 23 0B 56 -9,-2.9 -9,-3.0 -2,-0.4 2,-0.2 -0.901 22.7-109.3-124.7 151.4 -12.5 32.8 34.0 33 277 B S E +J 22 0B 85 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.3 -0.496 37.1 165.7 -80.0 146.2 -9.7 32.6 31.6 34 278 B F E -J 21 0B 19 -13,-1.9 -13,-3.1 -2,-0.2 2,-0.6 -0.921 36.5-108.9-145.0 173.3 -9.4 30.1 28.7 35 279 B V E -J 20 0B 39 -2,-0.3 2,-0.3 -15,-0.2 170,-0.1 -0.925 28.1-155.3-115.0 112.5 -7.3 29.6 25.6 36 280 B Y E -J 19 0B 7 -17,-2.7 -17,-2.6 -2,-0.6 -24,-0.2 -0.637 12.8-143.2 -87.9 138.3 -9.0 30.1 22.2 37 281 B G - 0 0 0 -25,-2.5 -20,-2.2 -2,-0.3 215,-0.2 0.795 44.2-109.6 -69.0 -30.8 -7.7 28.5 19.1 38 282 B G S S+ 0 0 19 -26,-0.4 2,-0.4 1,-0.2 -25,-0.1 0.181 84.2 89.2 120.3 -12.8 -8.5 31.4 16.8 39 283 B b S S- 0 0 7 -27,-0.4 -25,-0.3 -24,-0.2 -24,-0.2 -0.963 90.4 -16.0-131.6 132.1 -11.4 29.9 14.8 40 284 B L S S+ 0 0 70 -2,-0.4 -1,-0.1 114,-0.2 -27,-0.1 0.818 75.1 167.1 57.7 42.0 -15.1 29.5 15.0 41 285 B G - 0 0 24 1,-0.1 2,-0.1 -3,-0.1 -1,-0.1 -0.171 31.2-117.3 -74.0 174.9 -15.6 30.4 18.6 42 286 B N - 0 0 42 -31,-0.2 -1,-0.1 2,-0.1 -31,-0.1 -0.358 35.1 -90.5-101.6-168.7 -18.9 31.2 20.2 43 287 B K S S+ 0 0 92 1,-0.2 2,-2.1 -39,-0.2 -38,-0.2 0.687 108.4 82.1 -82.2 -20.4 -20.1 34.5 21.9 44 288 B N S S+ 0 0 0 -40,-0.5 2,-0.3 -35,-0.2 -33,-0.2 -0.448 71.4 106.9 -81.7 65.8 -18.9 33.7 25.4 45 289 B N + 0 0 2 -2,-2.1 2,-0.4 -22,-0.1 -22,-0.2 -0.933 46.7 179.5-153.8 109.1 -15.4 34.8 24.4 46 290 B Y B -K 22 0B 19 -24,-2.1 -24,-1.6 -2,-0.3 3,-0.1 -0.940 30.8-147.3-128.7 143.3 -13.9 38.1 25.7 47 291 B L S S+ 0 0 17 -2,-0.4 2,-0.4 -26,-0.2 -1,-0.1 0.879 88.5 35.5 -69.8 -41.9 -10.6 39.9 25.2 48 292 B R S >> S- 0 0 119 1,-0.1 4,-2.0 -26,-0.1 3,-0.7 -0.930 73.7-130.3-123.9 141.0 -10.6 41.4 28.7 49 293 B E H 3> S+ 0 0 85 -2,-0.4 4,-2.7 1,-0.2 5,-0.2 0.885 111.5 52.4 -46.7 -47.5 -11.8 40.2 32.1 50 294 B E H 3> S+ 0 0 107 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.789 105.7 53.6 -66.7 -29.5 -13.8 43.5 32.6 51 295 B E H <> S+ 0 0 73 -3,-0.7 4,-2.2 2,-0.2 -1,-0.2 0.886 111.6 46.7 -69.1 -39.9 -15.5 43.1 29.2 52 296 B c H X S+ 0 0 0 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.950 112.7 48.2 -63.1 -51.0 -16.6 39.7 30.3 53 297 B I H < S+ 0 0 89 -4,-2.7 4,-0.3 1,-0.2 -2,-0.2 0.919 114.7 47.3 -56.8 -47.6 -17.8 40.8 33.8 54 298 B L H >< S+ 0 0 112 -4,-2.2 3,-0.9 1,-0.2 -1,-0.2 0.901 111.0 47.9 -60.0 -51.8 -19.7 43.8 32.2 55 299 B A H 3< S+ 0 0 54 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.793 121.0 37.8 -61.7 -29.5 -21.5 41.8 29.5 56 300 B a T >< S+ 0 0 0 -4,-1.6 3,-1.4 -5,-0.2 -1,-0.2 0.194 78.5 140.9-115.6 14.8 -22.6 39.1 31.9 57 301 B R T < S+ 0 0 200 -3,-0.9 -3,-0.1 -4,-0.3 -4,-0.0 -0.408 76.1 12.2 -63.1 125.6 -23.4 41.1 35.1 58 302 B G T 3 S+ 0 0 77 1,-0.2 2,-0.5 -2,-0.2 -1,-0.2 0.693 92.1 146.8 81.2 23.8 -26.5 39.7 36.8 59 303 B V < + 0 0 16 -3,-1.4 2,-0.3 -53,-0.0 -1,-0.2 -0.816 19.6 174.2-106.0 129.8 -26.7 36.5 34.8 60 304 B Q - 0 0 110 -2,-0.5 -33,-0.1 -31,-0.0 -53,-0.1 -0.912 39.9 -93.1-130.0 151.1 -27.9 33.1 36.1 61 305 B G 0 0 52 -35,-0.5 -58,-0.0 -2,-0.3 -54,-0.0 -0.380 360.0 360.0 -60.5 137.8 -28.7 29.7 34.8 62 306 B P 0 0 155 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.366 360.0 360.0 -92.9 360.0 -32.4 29.5 33.8 63 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 64 16 A V 0 0 0 0, 0.0 3,-0.5 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 120.5 3.2 20.0 21.6 65 17 A V B +L 248 0C 13 183,-2.6 183,-1.6 1,-0.2 138,-0.1 -0.792 360.0 7.6 -88.6 134.6 1.6 17.0 23.2 66 18 A G S S+ 0 0 52 136,-0.5 -1,-0.2 -2,-0.4 2,-0.1 0.660 100.7 120.0 72.8 19.1 4.0 14.1 23.9 67 19 A G - 0 0 21 -3,-0.5 2,-0.3 148,-0.1 148,-0.2 -0.229 53.6-127.2 -96.2-171.0 7.2 15.9 22.9 68 20 A T E -B 214 0A 88 146,-2.2 146,-2.2 -2,-0.1 2,-0.1 -0.819 38.0 -70.7-129.9 175.2 10.3 16.6 24.9 69 21 A D E -B 213 0A 95 -2,-0.3 144,-0.2 144,-0.2 2,-0.2 -0.452 50.7-127.6 -63.5 135.0 12.4 19.7 25.7 70 22 A A - 0 0 4 142,-2.9 2,-0.2 -2,-0.1 142,-0.1 -0.538 24.5-108.2 -79.1 151.5 14.4 21.0 22.7 71 23 A D > - 0 0 103 -2,-0.2 3,-2.1 1,-0.1 4,-0.3 -0.562 51.1 -82.2 -76.4 148.0 18.1 21.5 22.9 72 24 A E T 3 S- 0 0 161 1,-0.3 -1,-0.1 -2,-0.2 56,-0.1 -0.312 114.1 -1.0 -57.4 119.2 19.1 25.2 23.0 73 25 A G T 3 S+ 0 0 33 54,-0.1 -1,-0.3 2,-0.1 55,-0.1 0.777 89.4 129.8 70.1 28.9 19.3 26.5 19.4 74 26 A E S < S+ 0 0 60 -3,-2.1 -2,-0.1 1,-0.3 3,-0.1 0.758 81.5 34.1 -79.0 -28.0 18.3 23.1 17.9 75 27 A W S > S+ 0 0 15 -4,-0.3 3,-1.9 1,-0.1 -1,-0.3 -0.656 70.1 170.4-126.7 72.0 15.6 24.9 15.9 76 28 A P T 3 S+ 0 0 15 0, 0.0 101,-1.8 0, 0.0 50,-0.2 0.488 76.3 58.7 -67.6 -2.5 17.1 28.3 15.0 77 29 A W T 3 S+ 0 0 16 99,-0.2 17,-2.2 101,-0.1 2,-0.3 0.557 78.2 108.7 -97.6 -14.3 14.2 29.1 12.6 78 30 A Q E < -M 93 0D 4 -3,-1.9 48,-0.6 15,-0.2 49,-0.4 -0.511 51.2-171.3 -68.5 125.2 11.5 28.7 15.2 79 31 A V E -MN 92 125D 1 13,-3.0 13,-1.4 -2,-0.3 2,-0.5 -0.877 16.7-142.5-120.4 148.9 10.0 32.1 16.1 80 32 A S E -MN 91 124D 0 44,-1.9 44,-2.7 -2,-0.3 2,-0.6 -0.955 12.3-154.5-112.3 129.6 7.5 33.1 18.8 81 33 A L E -MN 90 123D 0 9,-2.9 8,-3.2 -2,-0.5 9,-1.4 -0.921 9.2-168.7-110.2 119.4 4.9 35.8 18.0 82 34 A H E -MN 88 122D 15 40,-3.1 40,-2.2 -2,-0.6 2,-0.3 -0.904 9.7-148.8-107.9 127.3 3.4 37.9 20.9 83 35 A A E >> -MN 87 121D 2 4,-1.9 3,-2.3 -2,-0.5 4,-0.9 -0.743 44.8 -77.9 -93.4 146.0 0.4 40.1 20.5 84 36 A L T 34 S- 0 0 106 36,-2.3 -1,-0.1 -2,-0.3 37,-0.0 -0.073 111.0 -9.0 -48.6 126.4 0.2 43.2 22.7 85 37 A G T 34 S+ 0 0 90 1,-0.1 -1,-0.3 -3,-0.1 -3,-0.0 0.710 124.5 80.7 58.1 24.6 -0.8 42.5 26.3 86 38 A Q T <4 S- 0 0 23 -3,-2.3 -2,-0.2 1,-0.2 -1,-0.1 0.457 80.6-146.2-133.7 -11.0 -1.6 38.9 25.4 87 39 A G E < +M 83 0D 31 -4,-0.9 -4,-1.9 -68,-0.1 2,-0.2 -0.303 60.9 5.6 70.7-156.5 1.8 37.1 25.3 88 40 A H E +M 82 0D 26 -6,-0.2 -6,-0.3 1,-0.2 3,-0.1 -0.395 59.6 159.5 -64.6 125.1 2.6 34.3 22.9 89 41 A I E - 0 0 0 -8,-3.2 -71,-2.4 1,-0.4 2,-0.3 0.751 59.6 -1.5-109.2 -43.6 -0.2 33.6 20.3 90 42 A d E -M 81 0D 0 -9,-1.4 -9,-2.9 -73,-0.2 -1,-0.4 -0.953 59.5-117.7-149.1 159.7 1.5 31.7 17.5 91 43 A G E -M 80 0D 1 163,-3.5 12,-0.4 -2,-0.3 2,-0.3 -0.481 27.2-179.6 -90.0 170.6 4.7 30.3 16.0 92 44 A A E -M 79 0D 0 -13,-1.4 -13,-3.0 -2,-0.2 2,-0.4 -0.939 21.1-122.8-157.3 169.4 6.4 31.3 12.8 93 45 A S E -MO 78 101D 0 8,-2.3 8,-2.1 -2,-0.3 2,-0.4 -0.977 19.6-124.5-123.1 137.8 9.5 30.2 10.9 94 46 A L E + O 0 100D 1 -17,-2.2 85,-2.6 -2,-0.4 6,-0.2 -0.647 34.1 165.1 -76.2 128.1 12.5 32.4 9.8 95 47 A I - 0 0 10 4,-2.5 5,-0.2 -2,-0.4 -1,-0.1 0.611 64.2 -6.3-119.6 -20.8 13.0 32.2 6.0 96 48 A S S S- 0 0 10 3,-1.2 -1,-0.4 81,-0.1 74,-0.1 -0.896 88.1 -80.0-155.1-179.1 15.4 35.1 5.2 97 49 A P S S+ 0 0 51 0, 0.0 73,-3.1 0, 0.0 71,-0.1 0.757 129.7 27.9 -60.3 -19.5 16.8 38.1 7.0 98 50 A N S S+ 0 0 65 71,-0.2 68,-3.2 204,-0.1 2,-0.3 0.561 110.1 66.6-118.8 -14.1 13.5 39.9 6.6 99 51 A W E - P 0 165D 12 66,-0.2 -4,-2.5 -3,-0.1 -3,-1.2 -0.888 45.2-172.0-126.5 146.5 10.6 37.4 6.3 100 52 A L E -OP 94 164D 0 64,-2.1 64,-2.7 -2,-0.3 2,-0.4 -0.939 18.6-137.8-124.8 151.5 8.8 34.8 8.4 101 53 A V E +OP 93 163D 0 -8,-2.1 -8,-2.3 -2,-0.3 2,-0.2 -0.923 36.9 149.7-105.3 136.3 6.2 32.2 7.4 102 54 A S E - 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