==== 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 HYDROLASE(SERINE PROTEASE) 06-JUN-00 1E36 . COMPND 2 MOLECULE: ELASTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; . AUTHOR P.A.WRIGHT,R.C.WILMOUTH,I.J.CLIFTON,C.J.SCHOFIELD . 241 2 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10574.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 152 63.1 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 . 83 34.4 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 . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 2.5 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 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 10 4.1 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 1 0 0 0 0 0 1 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 . 6 2 2 6 1 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 1 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 16 B V > 0 0 1 0, 0.0 3,-0.6 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 124.7 -11.4 33.2 35.7 2 17 B V B 3 +A 182 0A 10 180,-2.5 180,-1.9 1,-0.2 134,-0.1 -0.785 360.0 11.8 -94.0 140.4 -14.9 33.9 34.5 3 18 B G T 3 S+ 0 0 42 132,-0.6 -1,-0.2 -2,-0.4 178,-0.1 0.770 98.3 145.7 67.1 29.7 -16.3 37.4 35.2 4 19 B G < - 0 0 23 -3,-0.6 2,-0.3 131,-0.2 144,-0.2 -0.236 43.5-136.7 -93.4 178.0 -12.8 38.6 36.2 5 20 B T E -B 147 0B 85 142,-2.5 142,-2.3 -2,-0.1 2,-0.3 -0.950 38.3 -90.7-125.8 154.6 -11.0 41.9 35.7 6 21 B E E -B 146 0B 115 -2,-0.3 140,-0.3 140,-0.2 2,-0.1 -0.505 45.9-128.3 -68.5 125.8 -7.4 42.3 34.6 7 22 B A - 0 0 1 138,-2.6 138,-0.1 -2,-0.3 2,-0.1 -0.482 23.2-105.4 -70.5 147.1 -5.2 42.4 37.7 8 23 B Q > - 0 0 142 -2,-0.1 3,-1.9 1,-0.1 4,-0.5 -0.440 38.0-110.9 -64.1 147.9 -2.7 45.2 38.2 9 24 B R T 3 S+ 0 0 107 1,-0.3 -1,-0.1 2,-0.1 3,-0.1 0.674 112.7 36.6 -53.8 -28.7 0.8 43.8 37.5 10 25 B N T 3 S+ 0 0 83 1,-0.1 -1,-0.3 99,-0.0 -2,-0.1 0.223 89.9 93.8-114.0 15.5 2.1 44.0 41.0 11 26 B S S < S+ 0 0 51 -3,-1.9 -2,-0.1 1,-0.2 -1,-0.1 0.867 96.1 25.9 -74.6 -37.6 -1.1 43.1 43.0 12 27 B W > + 0 0 25 -4,-0.5 3,-2.0 1,-0.1 -1,-0.2 -0.567 65.8 164.7-129.8 68.5 -0.4 39.3 43.3 13 28 B P T 3 S+ 0 0 30 0, 0.0 97,-1.5 0, 0.0 45,-0.3 0.627 73.3 61.4 -67.0 -12.7 3.3 38.8 43.2 14 29 B S T 3 S+ 0 0 8 95,-0.2 20,-2.8 97,-0.1 2,-0.2 0.573 78.7 107.4 -87.8 -11.8 3.1 35.2 44.6 15 30 B Q E < -I 33 0C 5 -3,-2.0 43,-0.4 18,-0.2 44,-0.4 -0.478 50.5-175.1 -66.1 134.3 1.0 34.0 41.6 16 31 B I E -I 32 0C 0 16,-2.3 16,-1.0 -2,-0.2 2,-0.5 -0.847 24.3-127.3-123.4 165.2 3.0 31.8 39.3 17 32 B S E -IJ 31 56C 0 39,-2.3 39,-2.4 -2,-0.3 2,-0.6 -0.963 17.8-154.7-110.5 123.0 2.2 30.1 35.9 18 33 B L E -IJ 30 55C 0 12,-3.1 11,-2.9 -2,-0.5 12,-1.8 -0.881 23.8-179.9-101.5 117.6 2.8 26.3 35.8 19 34 B Q E -IJ 28 54C 11 35,-2.8 35,-2.7 -2,-0.6 2,-0.3 -0.907 20.3-143.4-121.8 157.3 3.5 25.3 32.2 20 35 B Y E -IJ 27 53C 63 7,-2.5 7,-2.7 -2,-0.3 2,-0.3 -0.869 32.5 -99.8-120.3 150.8 4.3 22.1 30.3 21 36 B R E -I 26 0C 139 31,-2.2 2,-0.4 -2,-0.3 31,-0.3 -0.534 36.8-175.4 -71.5 128.5 6.6 21.6 27.3 22 36AB S E > -I 25 0C 54 3,-3.4 3,-2.6 -2,-0.3 2,-0.3 -0.893 53.5 -75.0-130.2 92.0 4.5 21.5 24.2 23 36BB G T 3 S- 0 0 67 -2,-0.4 -1,-0.1 1,-0.3 -2,-0.0 -0.271 118.4 -3.3 58.4-109.8 6.8 20.7 21.2 24 36CB S T 3 S+ 0 0 139 -2,-0.3 -1,-0.3 -3,-0.1 2,-0.1 0.662 136.1 38.3 -84.2 -17.8 8.7 23.8 20.4 25 37 B S E < S-I 22 0C 63 -3,-2.6 -3,-3.4 -5,-0.0 2,-0.3 -0.419 78.3-106.9-123.5-169.1 7.0 25.8 23.1 26 38 B W E -I 21 0C 85 -5,-0.3 2,-0.4 -2,-0.1 -5,-0.2 -0.962 24.4-154.1-125.7 142.9 5.5 25.9 26.6 27 39 B A E -I 20 0C 27 -7,-2.7 -7,-2.5 -2,-0.3 2,-0.2 -0.982 19.5-120.2-123.7 134.1 1.8 25.9 27.5 28 40 B H E +I 19 0C 19 -2,-0.4 -9,-0.3 -9,-0.2 3,-0.1 -0.503 38.4 161.0 -63.8 137.2 0.1 27.2 30.6 29 41 B T E - 0 0 13 -11,-2.9 2,-0.3 1,-0.4 157,-0.2 0.602 57.9 -5.5-125.9 -28.6 -1.7 24.5 32.5 30 42 B a E -I 18 0C 0 -12,-1.8 -12,-3.1 157,-0.1 -1,-0.4 -0.975 60.1-114.5-158.8 168.2 -2.3 25.7 36.0 31 43 B G E +I 17 0C 1 157,-2.8 12,-0.4 -2,-0.3 2,-0.3 -0.462 29.7 180.0 -97.5-172.9 -1.5 28.4 38.6 32 44 B G E -I 16 0C 0 -16,-1.0 -16,-2.3 -2,-0.2 2,-0.4 -0.938 25.9-114.2-171.1 174.2 0.5 28.1 41.8 33 45 B T E -IK 15 41C 0 8,-2.5 8,-3.0 -2,-0.3 2,-0.4 -0.994 22.5-130.2-125.8 126.2 1.8 30.1 44.7 34 46 B L E + K 0 40C 1 -20,-2.8 78,-3.1 -2,-0.4 6,-0.2 -0.620 35.4 165.8 -72.3 119.6 5.4 30.9 45.3 35 47 B I E + 0 0 2 4,-2.7 2,-0.3 -2,-0.4 5,-0.2 0.622 65.8 13.6-113.2 -18.5 5.9 30.0 49.0 36 48 B R E > S- K 0 39C 92 3,-1.7 3,-1.5 74,-0.1 -1,-0.4 -0.907 89.5 -99.0-141.3 166.4 9.8 29.9 49.3 37 49 B Q T 3 S+ 0 0 86 -2,-0.3 66,-2.5 1,-0.3 64,-0.1 0.786 128.1 27.7 -62.9 -19.2 12.3 31.2 46.8 38 50 B N T 3 S+ 0 0 52 64,-0.2 61,-2.5 62,-0.1 2,-0.4 0.092 112.7 77.0-125.6 23.8 12.6 27.6 45.6 39 51 B W E < -KL 36 98C 4 -3,-1.5 -4,-2.7 59,-0.2 -3,-1.7 -0.989 50.6-170.1-138.4 137.0 9.2 26.1 46.4 40 52 B V E -KL 34 97C 0 57,-2.3 57,-3.1 -2,-0.4 2,-0.5 -0.953 14.0-146.1-121.0 137.9 5.8 26.4 44.7 41 53 B M E +KL 33 96C 0 -8,-3.0 -8,-2.5 -2,-0.4 55,-0.2 -0.882 36.0 148.1-100.2 127.0 2.5 25.2 46.2 42 54 B T E - L 0 95C 0 53,-2.9 53,-2.1 -2,-0.5 2,-0.4 -0.697 49.9 -71.4-141.6-172.1 0.0 24.0 43.5 43 55 B A > - 0 0 0 -12,-0.4 3,-0.9 51,-0.3 4,-0.4 -0.786 31.4-133.7 -88.2 141.9 -2.8 21.4 43.2 44 56 B A G > S+ 0 0 0 -2,-0.4 3,-1.9 1,-0.2 -1,-0.1 0.888 106.1 60.6 -58.5 -36.9 -1.9 17.7 43.0 45 57 B H G > S+ 0 0 31 1,-0.3 3,-1.3 2,-0.2 4,-0.3 0.782 92.7 65.9 -66.3 -20.7 -4.2 17.3 40.0 46 58 B a G < S+ 0 0 0 -3,-0.9 -1,-0.3 1,-0.3 -2,-0.2 0.714 106.4 42.1 -70.4 -21.9 -2.1 19.8 38.0 47 59 B V G < S+ 0 0 17 -3,-1.9 -1,-0.3 -4,-0.4 -2,-0.2 0.092 80.8 104.9-114.8 27.5 0.8 17.4 38.1 48 60 B D < + 0 0 45 -3,-1.3 2,-0.2 2,-0.1 -1,-0.1 0.874 66.8 76.7 -72.8 -35.2 -1.2 14.2 37.4 49 61 B R S S- 0 0 72 -4,-0.3 2,-2.1 -3,-0.2 0, 0.0 -0.527 90.8-121.6 -78.3 144.8 0.1 14.0 33.8 50 62 B E + 0 0 194 -2,-0.2 2,-0.1 2,-0.0 -1,-0.1 -0.370 64.4 139.1 -81.1 60.8 3.7 12.8 33.3 51 63 B L - 0 0 63 -2,-2.1 2,-0.6 -4,-0.0 -31,-0.0 -0.439 62.0-100.7-102.0 174.3 4.8 16.1 31.5 52 64 B T - 0 0 69 -31,-0.3 -31,-2.2 -2,-0.1 2,-0.3 -0.890 48.3-163.3 -94.3 122.0 7.8 18.3 31.6 53 65 B F E +J 20 0C 16 -2,-0.6 21,-1.4 -33,-0.2 2,-0.3 -0.755 18.2 179.6-114.8 152.1 7.0 21.3 33.8 54 65AB R E -JM 19 73C 47 -35,-2.7 -35,-2.8 -2,-0.3 2,-0.4 -0.954 20.0-134.7-135.9 162.0 8.4 24.8 34.3 55 66 B V E -JM 18 72C 0 17,-2.9 17,-2.5 -2,-0.3 2,-0.5 -0.957 9.9-158.9-116.4 139.9 7.3 27.7 36.5 56 67 B V E -JM 17 71C 0 -39,-2.4 -39,-2.3 -2,-0.4 3,-0.3 -0.978 10.9-174.2-116.2 120.3 7.1 31.3 35.4 57 68 B V E + M 0 70C 1 13,-2.4 13,-2.1 -2,-0.5 52,-0.1 -0.743 69.4 32.7-106.0 158.7 7.3 33.9 38.2 58 69 B G S S+ 0 0 5 50,-0.6 2,-0.3 -43,-0.4 10,-0.3 0.819 87.2 149.5 66.3 26.0 6.8 37.7 37.5 59 70 B E + 0 0 19 -44,-0.4 -1,-0.2 -3,-0.3 3,-0.1 -0.728 16.8 151.0 -94.2 143.4 4.4 36.8 34.7 60 71 B H + 0 0 8 -2,-0.3 85,-1.7 1,-0.3 2,-0.6 0.554 70.0 36.3-131.1 -48.9 1.4 38.9 33.6 61 72 B N B > -O 144 0D 10 3,-0.3 3,-1.2 83,-0.2 -1,-0.3 -0.936 61.4-161.0-113.0 115.5 0.7 38.4 30.0 62 73 B L T 3 S+ 0 0 38 81,-2.6 -1,-0.1 -2,-0.6 82,-0.1 0.691 91.9 45.5 -66.9 -23.2 1.2 34.8 28.7 63 74 B N T 3 S+ 0 0 104 80,-0.2 2,-0.3 2,-0.0 -1,-0.2 0.264 111.7 51.2-103.5 7.2 1.4 35.9 25.1 64 75 B Q S < S- 0 0 130 -3,-1.2 2,-0.5 79,-0.2 -3,-0.3 -0.996 86.0-102.6-141.8 154.3 3.8 38.8 25.4 65 76 B N - 0 0 133 -2,-0.3 -3,-0.1 1,-0.2 -6,-0.0 -0.633 30.6-176.3 -73.9 125.9 7.1 39.7 26.9 66 77 B N - 0 0 31 -2,-0.5 -1,-0.2 -5,-0.1 -4,-0.0 0.566 36.2-127.6 -94.5 -17.8 6.4 41.7 30.1 67 78 B G S S+ 0 0 60 1,-0.0 -2,-0.1 2,-0.0 -8,-0.1 0.685 94.6 75.5 77.7 19.0 10.1 42.3 30.8 68 79 B T + 0 0 26 -10,-0.3 2,-0.1 -11,-0.1 40,-0.1 0.396 63.2 119.1-135.4 -4.5 9.7 40.9 34.4 69 80 B E - 0 0 27 -13,-0.1 2,-0.4 40,-0.0 -11,-0.2 -0.356 39.1-165.3 -74.6 147.6 9.5 37.1 34.0 70 81 B Q E -M 57 0C 46 -13,-2.1 -13,-2.4 -2,-0.1 2,-0.5 -0.999 11.7-154.7-127.0 133.0 11.9 34.5 35.5 71 82 B Y E +M 56 0C 113 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.935 17.9 171.8-112.0 128.2 11.6 31.0 34.1 72 83 B V E -M 55 0C 7 -17,-2.5 -17,-2.9 -2,-0.5 -2,-0.0 -1.000 27.9-122.2-140.8 143.4 12.7 28.0 36.2 73 84 B G E -M 54 0C 32 -2,-0.4 27,-2.6 -19,-0.2 2,-0.6 -0.335 28.8-112.5 -79.1 165.5 12.5 24.2 35.8 74 85 B V E +N 99 0C 32 -21,-1.4 25,-0.2 25,-0.2 -21,-0.2 -0.884 32.1 179.8 -95.5 119.8 10.8 22.0 38.3 75 86 B Q E + 0 0 112 23,-2.7 2,-0.3 -2,-0.6 24,-0.2 0.742 65.8 13.0 -93.6 -33.1 13.4 19.7 40.0 76 87 B K E -N 98 0C 83 22,-1.7 22,-2.7 2,-0.0 2,-0.5 -0.994 58.8-154.9-147.8 144.0 11.1 17.8 42.3 77 88 B I E -N 97 0C 69 -2,-0.3 2,-0.6 20,-0.2 20,-0.2 -0.975 8.4-173.7-120.7 122.0 7.4 17.2 42.7 78 89 B V E -N 96 0C 28 18,-3.0 18,-2.6 -2,-0.5 2,-0.3 -0.908 8.1-170.3-116.8 102.6 6.0 16.2 46.1 79 90 B V E -N 95 0C 46 -2,-0.6 16,-0.2 16,-0.2 14,-0.1 -0.653 40.0 -91.3 -89.5 149.1 2.3 15.3 45.9 80 91 B H > - 0 0 25 14,-2.4 3,-2.1 12,-0.3 -1,-0.1 -0.362 36.8-128.6 -56.4 134.4 0.3 14.8 49.1 81 92 B P T 3 S+ 0 0 104 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.667 105.5 54.1 -62.9 -18.1 0.5 11.1 49.9 82 93 B Y T 3 S+ 0 0 170 10,-0.1 -2,-0.1 2,-0.0 11,-0.1 0.461 80.1 119.7 -95.6 0.3 -3.2 10.8 50.3 83 94 B W < - 0 0 30 -3,-2.1 2,-0.4 9,-0.2 9,-0.1 -0.401 40.4-173.3 -63.4 143.2 -4.1 12.3 46.9 84 95 B N > - 0 0 71 7,-0.4 3,-2.3 3,-0.2 6,-0.2 -0.947 19.8-148.6-137.8 115.5 -6.0 10.0 44.5 85 96 B T T 3 S+ 0 0 64 -2,-0.4 3,-0.4 1,-0.3 -1,-0.1 0.744 97.0 55.5 -59.6 -23.7 -6.6 11.2 40.9 86 97 B D T 3 S+ 0 0 150 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.360 109.9 46.6 -88.0 2.8 -9.9 9.4 40.6 87 98 B D X + 0 0 77 -3,-2.3 3,-2.2 4,-0.1 4,-0.5 -0.439 54.4 158.6-144.7 65.3 -11.4 11.1 43.7 88 99 B V G > S+ 0 0 33 -3,-0.4 3,-1.2 1,-0.3 5,-0.2 0.827 77.9 64.5 -58.2 -29.4 -10.8 14.9 43.7 89 99AB A G 3 S+ 0 0 24 1,-0.2 -1,-0.3 -3,-0.1 3,-0.1 0.686 87.6 69.8 -68.0 -18.4 -13.7 15.2 46.1 90 99BB A G < S- 0 0 35 -3,-2.2 2,-0.3 1,-0.3 -1,-0.2 0.748 100.1-141.0 -71.7 -24.1 -11.7 13.2 48.7 91 100 B G < + 0 0 2 -3,-1.2 -7,-0.4 -4,-0.5 -1,-0.3 -0.642 67.1 119.4 101.4-157.9 -9.4 16.2 49.1 92 101 B Y + 0 0 79 -2,-0.3 2,-2.1 1,-0.2 -12,-0.3 0.740 38.1 156.7 61.2 26.5 -5.7 16.2 49.5 93 102 B D + 0 0 1 -5,-0.2 2,-0.3 -50,-0.1 131,-0.2 -0.505 32.7 104.9 -85.1 79.0 -5.4 18.2 46.3 94 103 B I + 0 0 0 -2,-2.1 -14,-2.4 -51,-0.3 2,-0.3 -0.993 38.5 173.8-155.9 147.4 -2.1 19.8 47.0 95 104 B A E -LN 42 79C 0 -53,-2.1 -53,-2.9 -2,-0.3 2,-0.4 -0.985 21.1-137.6-154.3 151.2 1.5 19.4 45.8 96 105 B L E -LN 41 78C 0 -18,-2.6 -18,-3.0 -2,-0.3 2,-0.5 -0.953 12.9-154.9-115.2 136.9 4.8 21.2 46.4 97 106 B L E -LN 40 77C 0 -57,-3.1 -57,-2.3 -2,-0.4 2,-0.5 -0.939 6.6-148.5-113.0 119.0 7.3 21.8 43.5 98 107 B R E -LN 39 76C 55 -22,-2.7 -23,-2.7 -2,-0.5 -22,-1.7 -0.798 23.6-134.5 -84.4 126.1 11.0 22.3 44.3 99 108 B L E - 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