==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 11-MAY-07 2V0B . COMPND 2 MOLECULE: ELASTASE-1; . SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; . AUTHOR J.JAKONCIC,V.STOJANOFF . 240 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10662.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 157 65.4 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 34.6 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 . 22 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 10 4.2 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 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 . 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 1 A V > 0 0 1 0, 0.0 3,-0.6 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 137.0 39.8 62.0 -1.8 2 2 A V B 3 +A 182 0A 6 180,-2.4 180,-2.0 1,-0.2 134,-0.1 -0.764 360.0 11.2 -91.2 136.7 36.4 62.9 -3.1 3 3 A G T 3 S+ 0 0 41 132,-0.6 -1,-0.2 -2,-0.4 2,-0.1 0.825 97.7 134.1 67.9 29.9 35.1 66.4 -2.5 4 4 A G < - 0 0 21 -3,-0.6 2,-0.3 144,-0.1 144,-0.2 -0.264 48.6-131.4 -97.6-169.9 38.5 67.6 -1.3 5 5 A T E -B 147 0B 90 142,-2.4 142,-2.3 -2,-0.1 2,-0.1 -0.963 38.1 -85.3-139.6 151.8 40.5 70.8 -2.0 6 6 A E E -B 146 0B 115 -2,-0.3 140,-0.3 140,-0.2 2,-0.1 -0.373 46.6-126.3 -61.8 132.8 44.1 71.1 -3.0 7 7 A A - 0 0 2 138,-3.1 3,-0.1 53,-0.1 2,-0.1 -0.472 29.4 -99.0 -76.9 152.2 46.4 71.2 0.1 8 8 A Q > - 0 0 152 1,-0.2 3,-2.2 -2,-0.1 4,-0.3 -0.465 63.7 -70.8 -68.3 145.8 48.8 74.0 0.4 9 9 A R T 3 S- 0 0 112 1,-0.3 -1,-0.2 2,-0.1 51,-0.1 -0.101 111.6 -20.1 -41.7 116.4 52.3 73.0 -0.7 10 10 A N T 3 S+ 0 0 15 49,-0.2 -1,-0.3 1,-0.1 50,-0.1 0.784 84.8 143.6 45.9 42.0 53.6 70.6 1.9 11 11 A S S < S+ 0 0 42 -3,-2.2 -1,-0.1 1,-0.3 -2,-0.1 0.520 76.7 48.8 -81.1 -6.9 51.2 71.7 4.7 12 12 A W S > S+ 0 0 29 -4,-0.3 3,-2.0 1,-0.1 -1,-0.3 -0.628 73.5 174.4-131.4 70.9 51.1 68.0 5.7 13 13 A P T 3 S+ 0 0 37 0, 0.0 97,-1.7 0, 0.0 45,-0.3 0.552 72.5 58.8 -59.1 -11.9 54.9 67.3 5.8 14 14 A S T 3 S+ 0 0 10 95,-0.2 20,-2.6 97,-0.1 98,-0.2 0.581 79.6 108.0 -94.4 -10.1 54.5 63.7 7.2 15 15 A Q E < -I 33 0C 5 -3,-2.0 43,-0.5 18,-0.2 44,-0.4 -0.446 50.4-173.2 -67.6 131.6 52.4 62.6 4.3 16 16 A I E -I 32 0C 0 16,-2.3 16,-0.9 -2,-0.2 2,-0.5 -0.866 23.0-128.7-122.5 162.2 54.2 60.2 1.9 17 17 A S E -IJ 31 56C 0 39,-2.2 39,-2.3 -2,-0.3 2,-0.6 -0.956 17.3-153.1-108.8 124.3 53.4 58.6 -1.4 18 18 A L E +IJ 30 55C 0 12,-3.4 11,-2.9 -2,-0.5 12,-1.9 -0.886 24.2 179.0 -97.4 122.3 53.9 54.8 -1.6 19 19 A Q E -IJ 28 54C 9 35,-2.7 35,-2.6 -2,-0.6 2,-0.3 -0.881 17.7-151.8-127.2 154.6 54.6 53.8 -5.2 20 20 A Y E -IJ 27 53C 58 7,-2.4 7,-2.6 -2,-0.3 2,-0.3 -0.910 29.2-101.4-125.3 154.4 55.4 50.6 -7.0 21 21 A R E -I 26 0C 124 31,-1.8 2,-0.5 -2,-0.3 31,-0.3 -0.582 31.4-175.0 -78.9 131.5 57.3 49.9 -10.1 22 22 A S E > -I 25 0C 40 3,-2.9 3,-2.5 -2,-0.3 2,-0.6 -0.941 65.5 -54.4-126.3 101.2 55.3 49.3 -13.3 23 23 A G T 3 S- 0 0 65 -2,-0.5 -2,-0.0 1,-0.3 0, 0.0 -0.520 122.1 -22.3 66.5-112.8 57.6 48.3 -16.1 24 24 A S T 3 S+ 0 0 124 -2,-0.6 -1,-0.3 -3,-0.1 2,-0.2 0.212 130.3 68.6-113.3 12.4 60.1 51.1 -16.2 25 25 A S E < S-I 22 0C 66 -3,-2.5 -3,-2.9 -5,-0.0 2,-0.4 -0.647 75.1-118.3-122.9-179.8 58.0 53.6 -14.4 26 26 A W E -I 21 0C 92 -5,-0.2 2,-0.4 -2,-0.2 -5,-0.2 -0.954 19.3-162.5-123.6 141.8 56.5 54.2 -11.0 27 27 A A E -I 20 0C 29 -7,-2.6 -7,-2.4 -2,-0.4 2,-0.2 -0.989 21.8-122.8-127.1 133.7 52.9 54.4 -10.0 28 28 A H E +I 19 0C 17 -2,-0.4 -9,-0.3 -9,-0.2 3,-0.1 -0.489 37.8 160.9 -68.4 136.2 51.4 55.8 -6.8 29 29 A T E + 0 0 24 -11,-2.9 2,-0.3 1,-0.4 157,-0.2 0.614 56.2 3.3-127.5 -29.9 49.3 53.2 -5.0 30 30 A a E -I 18 0C 4 -12,-1.9 -12,-3.4 157,-0.1 -1,-0.4 -0.956 58.1-120.4-154.0 167.1 48.9 54.4 -1.4 31 31 A G E +I 17 0C 0 157,-3.0 12,-0.4 -2,-0.3 2,-0.3 -0.480 29.8 174.0-100.3 178.6 49.5 57.1 1.2 32 32 A G E -I 16 0C 0 -16,-0.9 -16,-2.3 -2,-0.2 2,-0.4 -0.946 28.9-113.4-169.6 174.6 51.5 56.6 4.4 33 33 A T E -IK 15 41C 0 8,-2.5 8,-3.2 -2,-0.3 2,-0.6 -0.995 22.7-130.0-125.6 127.5 52.8 58.7 7.3 34 34 A L E + K 0 40C 0 -20,-2.6 78,-3.0 -2,-0.4 6,-0.2 -0.687 34.9 167.5 -74.8 118.4 56.6 59.2 8.0 35 35 A I E + 0 0 2 4,-2.5 2,-0.3 -2,-0.6 5,-0.2 0.631 65.6 13.8-110.2 -18.9 56.9 58.3 11.7 36 36 A R E > S- K 0 39C 87 3,-1.7 3,-1.5 74,-0.1 -1,-0.3 -0.904 90.2 -99.3-142.8 164.1 60.7 58.0 12.1 37 37 A Q T 3 S+ 0 0 86 -2,-0.3 66,-3.1 1,-0.3 64,-0.1 0.761 127.9 28.3 -61.0 -21.2 63.4 59.2 9.6 38 38 A N T 3 S+ 0 0 50 64,-0.3 61,-2.4 62,-0.1 2,-0.4 0.085 112.6 76.8-125.9 23.3 63.6 55.6 8.4 39 39 A W E < -KL 36 98C 5 -3,-1.5 -4,-2.5 59,-0.2 -3,-1.7 -0.994 51.1-169.3-138.6 136.4 60.0 54.3 9.2 40 40 A V E -KL 34 97C 0 57,-2.3 57,-3.0 -2,-0.4 2,-0.5 -0.957 13.4-146.1-122.6 136.9 56.7 54.8 7.4 41 41 A M E +KL 33 96C 1 -8,-3.2 -8,-2.5 -2,-0.4 2,-0.2 -0.891 36.1 145.2-101.5 128.4 53.3 53.8 8.7 42 42 A T E - L 0 95C 0 53,-2.7 53,-2.3 -2,-0.5 2,-0.3 -0.743 51.0 -69.5-144.3-171.2 50.8 52.6 6.1 43 43 A A > - 0 0 0 -12,-0.4 3,-0.9 51,-0.3 4,-0.5 -0.697 32.7-133.1 -89.1 144.3 47.9 50.1 5.6 44 44 A A G > S+ 0 0 0 -2,-0.3 3,-1.5 1,-0.2 -1,-0.1 0.878 106.2 60.4 -61.5 -35.7 48.6 46.4 5.5 45 45 A H G > S+ 0 0 54 1,-0.3 3,-1.1 2,-0.2 4,-0.3 0.775 92.0 67.9 -67.6 -17.4 46.4 46.0 2.5 46 46 A a G < S+ 0 0 4 -3,-0.9 -1,-0.3 1,-0.2 3,-0.2 0.779 107.2 38.7 -68.6 -26.1 48.7 48.4 0.6 47 47 A V G < S+ 0 0 14 -3,-1.5 -1,-0.2 -4,-0.5 -2,-0.2 0.069 77.9 109.3-114.8 26.3 51.4 45.8 0.7 48 48 A D < + 0 0 68 -3,-1.1 2,-0.2 2,-0.1 -1,-0.1 0.878 69.9 74.4 -64.9 -37.3 49.5 42.6 0.1 49 49 A R S S- 0 0 125 -4,-0.3 2,-1.9 -3,-0.2 0, 0.0 -0.539 89.1-124.5 -79.9 143.2 51.1 42.4 -3.4 50 50 A E + 0 0 202 -2,-0.2 2,-0.1 2,-0.0 -1,-0.1 -0.413 60.9 140.8 -88.0 65.8 54.7 41.4 -3.7 51 51 A L - 0 0 62 -2,-1.9 2,-0.7 -4,-0.0 -31,-0.0 -0.439 62.1 -97.8-100.0 172.8 55.8 44.5 -5.6 52 52 A T - 0 0 70 -31,-0.3 -31,-1.8 -2,-0.1 2,-0.3 -0.848 49.8-166.5 -91.3 119.7 58.8 46.7 -5.6 53 53 A F E -J 20 0C 12 -2,-0.7 21,-1.2 -33,-0.2 2,-0.3 -0.823 15.9-176.4-112.8 148.9 57.9 49.7 -3.5 54 54 A R E -JM 19 73C 53 -35,-2.6 -35,-2.7 -2,-0.3 2,-0.4 -0.954 18.2-137.1-134.6 158.0 59.5 53.1 -3.0 55 55 A V E -JM 18 72C 0 17,-3.1 17,-2.3 -2,-0.3 2,-0.5 -0.947 11.0-159.5-115.2 134.7 58.5 55.9 -0.7 56 56 A V E -JM 17 71C 0 -39,-2.3 -39,-2.2 -2,-0.4 3,-0.3 -0.972 10.0-171.6-116.5 121.9 58.5 59.5 -1.8 57 57 A V E + M 0 70C 1 13,-2.2 13,-2.1 -2,-0.5 52,-0.1 -0.730 67.7 30.3-105.8 160.4 58.6 62.2 0.9 58 58 A G S S+ 0 0 1 50,-0.5 10,-0.2 -43,-0.5 2,-0.2 0.749 86.6 152.8 64.5 25.7 58.2 65.9 0.4 59 59 A E + 0 0 11 -44,-0.4 -1,-0.2 -3,-0.3 -49,-0.2 -0.575 18.1 152.1 -90.5 151.4 55.9 65.2 -2.5 60 60 A H + 0 0 3 1,-0.3 85,-1.6 4,-0.2 2,-0.6 0.463 69.3 36.6-137.7 -55.5 53.1 67.5 -3.8 61 61 A N B > -O 144 0D 15 3,-0.3 3,-1.3 83,-0.2 -1,-0.3 -0.933 68.0-152.8-109.0 116.4 52.4 67.0 -7.5 62 62 A L T 3 S+ 0 0 28 81,-3.0 -1,-0.1 -2,-0.6 82,-0.1 0.765 91.2 34.8 -60.1 -28.5 52.8 63.4 -8.6 63 63 A N T 3 S+ 0 0 115 80,-0.2 2,-0.3 2,-0.1 -1,-0.2 0.148 111.3 61.7-115.9 20.2 53.7 64.1 -12.2 64 64 A Q S < S- 0 0 118 -3,-1.3 -3,-0.3 79,-0.2 2,-0.3 -0.998 86.6-101.2-144.2 145.9 55.8 67.3 -11.9 65 65 A N + 0 0 136 -2,-0.3 -3,-0.1 1,-0.2 -2,-0.1 -0.501 31.6 179.0 -68.7 128.1 59.0 68.2 -10.2 66 66 A D - 0 0 29 -2,-0.3 -1,-0.2 -5,-0.1 -4,-0.0 0.546 39.1-127.3-102.5 -13.6 58.4 70.1 -7.0 67 67 A G S S+ 0 0 59 1,-0.0 -2,-0.1 2,-0.0 -8,-0.1 0.589 94.6 76.0 75.1 14.1 62.0 70.5 -6.1 68 68 A T + 0 0 21 -10,-0.2 40,-0.1 40,-0.1 2,-0.1 0.398 62.9 119.4-133.4 -1.2 61.4 69.0 -2.6 69 69 A E - 0 0 26 -13,-0.1 2,-0.4 40,-0.0 -11,-0.2 -0.361 38.4-167.3 -74.9 147.7 61.0 65.3 -3.1 70 70 A Q E -M 57 0C 43 -13,-2.1 -13,-2.2 -2,-0.1 2,-0.4 -0.996 10.6-154.0-130.4 135.9 63.2 62.6 -1.6 71 71 A Y E +M 56 0C 117 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.937 18.4 169.3-114.6 133.3 63.0 59.0 -3.0 72 72 A V E -M 55 0C 11 -17,-2.3 -17,-3.1 -2,-0.4 2,-0.1 -0.999 28.6-119.4-147.8 144.7 63.8 56.0 -1.0 73 73 A G E -M 54 0C 32 -2,-0.4 27,-2.6 -19,-0.2 2,-0.7 -0.315 27.0-117.4 -75.7 161.7 63.5 52.2 -1.2 74 74 A V E -N 99 0C 32 -21,-1.2 25,-0.2 25,-0.2 -21,-0.2 -0.906 28.9-179.4-102.4 112.8 61.6 50.0 1.2 75 75 A Q E + 0 0 118 23,-2.3 2,-0.3 -2,-0.7 24,-0.2 0.791 66.8 12.0 -83.6 -32.8 64.0 47.6 2.9 76 76 A K E -N 98 0C 85 22,-1.5 22,-2.7 2,-0.0 2,-0.5 -0.993 59.1-153.3-149.2 141.9 61.6 45.7 5.1 77 77 A I E -N 97 0C 68 -2,-0.3 2,-0.7 20,-0.2 20,-0.2 -0.968 9.3-171.1-117.7 120.8 57.9 45.4 5.4 78 78 A V E -N 96 0C 27 18,-3.0 18,-2.5 -2,-0.5 2,-0.2 -0.900 8.4-169.5-115.1 103.7 56.4 44.5 8.8 79 79 A V E -N 95 0C 50 -2,-0.7 16,-0.2 16,-0.2 14,-0.1 -0.628 39.1 -90.6 -89.8 147.1 52.6 43.8 8.6 80 80 A H > - 0 0 21 14,-2.1 3,-1.8 12,-0.3 -1,-0.1 -0.353 36.6-128.4 -55.7 132.0 50.5 43.4 11.7 81 81 A P T 3 S+ 0 0 99 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.715 105.7 50.4 -56.9 -21.1 50.6 39.6 12.5 82 82 A Y T 3 S+ 0 0 162 10,-0.1 -2,-0.1 2,-0.0 11,-0.1 0.463 78.6 123.7 -97.0 -2.9 46.8 39.5 12.8 83 83 A W < - 0 0 32 -3,-1.8 2,-0.5 9,-0.2 9,-0.1 -0.360 39.7-170.0 -61.4 133.9 46.1 41.1 9.4 84 84 A N > - 0 0 72 7,-0.5 3,-2.2 3,-0.3 6,-0.2 -0.962 16.5-155.8-129.0 112.1 43.9 39.0 7.2 85 85 A T T 3 S+ 0 0 82 -2,-0.5 3,-0.4 1,-0.3 -1,-0.1 0.752 95.5 58.6 -58.0 -24.8 43.5 40.2 3.6 86 86 A D T 3 S+ 0 0 148 1,-0.2 -1,-0.3 2,-0.1 2,-0.1 0.497 111.5 41.6 -82.1 -4.0 40.2 38.2 3.4 87 87 A D X + 0 0 73 -3,-2.2 3,-1.7 4,-0.1 4,-0.4 -0.560 54.3 160.5-145.5 72.3 38.7 40.2 6.3 88 88 A V G > S+ 0 0 46 -3,-0.4 3,-1.8 1,-0.3 5,-0.2 0.852 79.0 66.2 -65.3 -26.7 39.5 43.9 6.3 89 89 A A G 3 S+ 0 0 29 1,-0.3 -1,-0.3 -3,-0.1 3,-0.1 0.630 87.9 67.1 -68.2 -13.6 36.5 44.3 8.7 90 90 A A G < S- 0 0 22 -3,-1.7 -1,-0.3 1,-0.3 2,-0.2 0.663 101.4-143.8 -78.8 -16.0 38.4 42.4 11.3 91 91 A G < + 0 0 2 -3,-1.8 -7,-0.5 -4,-0.4 -1,-0.3 -0.592 64.6 121.7 92.4-153.7 40.9 45.3 11.5 92 92 A Y + 0 0 67 -2,-0.2 2,-1.9 1,-0.2 -12,-0.3 0.749 36.7 156.5 59.2 28.6 44.7 45.2 12.0 93 93 A D + 0 0 0 -5,-0.2 2,-0.3 -49,-0.1 131,-0.2 -0.565 32.3 106.1 -86.8 79.4 45.1 47.0 8.7 94 94 A I + 0 0 2 -2,-1.9 -14,-2.1 -51,-0.3 2,-0.3 -0.986 39.2 176.7-155.1 146.4 48.5 48.5 9.4 95 95 A A E -LN 42 79C 0 -53,-2.3 -53,-2.7 -2,-0.3 2,-0.4 -0.984 20.4-138.1-150.4 151.0 52.1 47.9 8.4 96 96 A L E -LN 41 78C 0 -18,-2.5 -18,-3.0 -2,-0.3 2,-0.6 -0.954 13.5-154.5-115.4 133.8 55.4 49.6 9.1 97 97 A L E -LN 40 77C 1 -57,-3.0 -57,-2.3 -2,-0.4 2,-0.6 -0.933 5.9-149.0-110.3 119.9 57.9 50.1 6.3 98 98 A R E -LN 39 76C 52 -22,-2.7 -23,-2.3 -2,-0.6 -22,-1.5 -0.795 23.3-134.5 -87.8 123.4 61.6 50.3 7.2 99 99 A L E - 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