==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 21-JAN-04 1UVP . COMPND 2 MOLECULE: ELASTASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; . AUTHOR M.S.WEISS,S.PANJIKAR,C.MUELLER-DIECKMANN,P.A.TUCKER . 240 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10324.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 155 64.6 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 . 19 7.9 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 . 11 4.6 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 1 A V > 0 0 0 0, 0.0 3,-0.6 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 121.4 11.2 -4.4 -1.5 2 2 A V B 3 +A 182 0A 5 180,-2.5 180,-1.9 1,-0.2 134,-0.2 -0.784 360.0 9.9 -93.0 133.4 14.7 -5.1 -2.7 3 3 A G T 3 S+ 0 0 42 132,-0.6 146,-0.3 -2,-0.4 -1,-0.2 0.775 97.4 141.4 69.5 32.9 16.0 -8.6 -2.0 4 4 A G < - 0 0 22 -3,-0.6 2,-0.3 144,-0.1 144,-0.2 -0.245 44.6-135.6 -97.3-179.4 12.6 -9.8 -0.9 5 5 A T E -B 147 0B 86 142,-2.1 142,-2.5 -2,-0.1 2,-0.3 -0.919 39.5 -85.2-130.4 156.3 10.8 -13.2 -1.5 6 6 A E E -B 146 0B 110 -2,-0.3 140,-0.2 140,-0.2 2,-0.2 -0.497 46.2-130.0 -69.5 127.1 7.2 -13.6 -2.5 7 7 A A - 0 0 1 138,-2.3 138,-0.1 -2,-0.3 2,-0.1 -0.478 23.0-106.8 -68.5 144.8 5.0 -13.6 0.6 8 8 A Q > - 0 0 144 -2,-0.2 3,-1.6 1,-0.1 4,-0.5 -0.480 37.0-112.2 -68.1 147.4 2.4 -16.3 1.0 9 9 A R T 3 S+ 0 0 104 1,-0.3 -1,-0.1 2,-0.1 3,-0.1 0.670 112.5 37.8 -55.2 -29.3 -1.0 -14.9 0.3 10 10 A N T 3 S+ 0 0 86 1,-0.1 -1,-0.3 2,-0.0 -2,-0.0 0.303 89.8 92.2-113.5 17.6 -2.2 -15.1 3.9 11 11 A S S < S+ 0 0 48 -3,-1.6 -2,-0.1 1,-0.2 -1,-0.1 0.879 97.2 26.0 -75.7 -38.5 0.9 -14.2 5.8 12 12 A W > + 0 0 25 -4,-0.5 3,-1.6 1,-0.1 -1,-0.2 -0.584 65.9 165.3-128.5 68.0 0.3 -10.5 6.2 13 13 A P T 3 S+ 0 0 30 0, 0.0 97,-1.5 0, 0.0 45,-0.3 0.582 72.5 61.3 -66.0 -11.4 -3.5 -9.9 6.0 14 14 A S T 3 S+ 0 0 8 95,-0.2 20,-2.7 97,-0.1 98,-0.2 0.585 78.7 106.4 -91.1 -8.2 -3.3 -6.3 7.4 15 15 A Q E < -I 33 0C 5 -3,-1.6 43,-0.4 18,-0.2 44,-0.4 -0.464 50.2-177.5 -69.7 134.5 -1.1 -5.1 4.5 16 16 A I E -I 32 0C 0 16,-2.2 16,-1.1 -2,-0.2 2,-0.5 -0.884 25.6-125.2-125.4 167.1 -3.1 -3.0 2.0 17 17 A S E -IJ 31 56C 0 39,-2.2 39,-2.5 -2,-0.3 2,-0.6 -0.949 17.9-154.1-111.6 122.7 -2.3 -1.3 -1.3 18 18 A L E +IJ 30 55C 0 12,-3.0 11,-2.8 -2,-0.5 12,-1.9 -0.892 24.5 180.0 -99.1 120.9 -2.9 2.5 -1.4 19 19 A Q E -IJ 28 54C 8 35,-3.0 35,-2.4 -2,-0.6 2,-0.3 -0.861 20.5-145.0-125.7 158.4 -3.6 3.5 -5.0 20 20 A Y E -IJ 27 53C 60 7,-2.3 7,-2.5 -2,-0.3 2,-0.3 -0.896 29.7-104.1-123.0 151.8 -4.3 6.6 -6.9 21 21 A R E +I 26 0C 116 31,-1.8 2,-0.4 -2,-0.3 31,-0.3 -0.541 37.4 177.7 -73.1 133.3 -6.5 7.1 -10.0 22 22 A S E > -I 25 0C 44 3,-2.7 3,-2.2 -2,-0.3 2,-0.2 -0.906 60.3 -48.4-140.9 108.1 -4.5 7.5 -13.2 23 23 A G T 3 S- 0 0 75 -2,-0.4 -1,-0.0 1,-0.3 -2,-0.0 -0.433 121.3 -24.7 68.4-127.9 -6.5 7.9 -16.4 24 24 A S T 3 S+ 0 0 110 -2,-0.2 -1,-0.3 -3,-0.1 2,-0.2 0.216 132.6 59.4-101.3 16.6 -9.1 5.2 -16.4 25 25 A S E < S-I 22 0C 63 -3,-2.2 -3,-2.7 -5,-0.0 2,-0.3 -0.555 77.5-114.1-131.5-171.6 -7.0 2.9 -14.1 26 26 A W E -I 21 0C 76 -5,-0.3 2,-0.4 -2,-0.2 -5,-0.2 -0.967 20.2-156.6-128.7 144.6 -5.5 2.8 -10.7 27 27 A A E -I 20 0C 26 -7,-2.5 -7,-2.3 -2,-0.3 2,-0.2 -0.995 21.4-120.0-125.5 133.7 -1.8 2.8 -9.8 28 28 A H E +I 19 0C 16 -2,-0.4 -9,-0.3 -9,-0.2 3,-0.1 -0.459 38.5 162.0 -66.4 137.5 -0.2 1.5 -6.6 29 29 A T E - 0 0 23 -11,-2.8 2,-0.3 1,-0.4 159,-0.2 0.615 57.6 -2.5-124.9 -32.6 1.7 4.2 -4.8 30 30 A a E -I 18 0C 4 -12,-1.9 -12,-3.0 157,-0.1 -1,-0.4 -0.954 60.7-117.7-152.3 170.8 2.2 3.1 -1.2 31 31 A G E +I 17 0C 0 157,-3.1 12,-0.4 -2,-0.3 2,-0.3 -0.488 29.3 179.1-101.1-172.8 1.4 0.4 1.3 32 32 A G E -I 16 0C 0 -16,-1.1 -16,-2.2 -2,-0.2 2,-0.4 -0.955 26.5-113.1-171.5 172.9 -0.6 0.7 4.5 33 33 A T E -IK 15 41C 0 8,-2.6 8,-3.0 -2,-0.3 2,-0.5 -0.987 23.0-131.0-122.5 124.3 -1.8 -1.3 7.5 34 34 A L E + K 0 40C 1 -20,-2.7 78,-3.3 -2,-0.4 6,-0.2 -0.651 35.4 164.8 -71.0 123.6 -5.5 -2.0 8.1 35 35 A I E + 0 0 2 4,-2.6 2,-0.3 -2,-0.5 5,-0.2 0.585 65.3 17.2-118.4 -19.7 -6.0 -1.1 11.7 36 36 A R E > S- K 0 39C 90 3,-1.8 3,-1.6 74,-0.1 -1,-0.3 -0.933 89.4-101.6-137.5 162.7 -9.8 -0.9 12.0 37 37 A Q T 3 S+ 0 0 86 -2,-0.3 66,-2.3 1,-0.3 64,-0.1 0.847 127.9 26.7 -58.6 -26.4 -12.4 -2.3 9.5 38 38 A N T 3 S+ 0 0 51 64,-0.2 61,-2.5 62,-0.1 2,-0.4 0.061 113.5 78.2-118.2 23.2 -12.7 1.2 8.2 39 39 A W E < -KL 36 98C 5 -3,-1.6 -4,-2.6 59,-0.2 -3,-1.8 -0.988 51.1-170.5-136.4 135.4 -9.3 2.7 9.1 40 40 A V E -KL 34 97C 0 57,-2.2 57,-3.0 -2,-0.4 2,-0.5 -0.959 13.7-145.7-122.2 139.6 -5.9 2.4 7.5 41 41 A M E +KL 33 96C 0 -8,-3.0 -8,-2.6 -2,-0.4 2,-0.2 -0.887 35.8 146.0-101.1 128.9 -2.6 3.6 8.9 42 42 A T E - L 0 95C 0 53,-2.9 53,-2.2 -2,-0.5 2,-0.4 -0.739 50.4 -69.9-145.2-171.4 -0.1 4.8 6.3 43 43 A A >> - 0 0 0 -12,-0.4 3,-1.0 51,-0.3 4,-0.6 -0.733 31.6-135.1 -89.8 140.9 2.7 7.4 5.9 44 44 A A G >4 S+ 0 0 0 -2,-0.4 3,-1.7 1,-0.2 -1,-0.1 0.895 104.7 61.2 -58.3 -36.8 1.8 11.0 5.7 45 45 A H G >4 S+ 0 0 53 1,-0.3 3,-1.1 2,-0.2 4,-0.4 0.767 93.6 65.3 -65.9 -20.9 4.1 11.5 2.7 46 46 A a G <4 S+ 0 0 3 -3,-1.0 -1,-0.3 1,-0.3 -2,-0.2 0.759 106.6 41.8 -69.7 -26.1 2.0 9.1 0.7 47 47 A V G << S+ 0 0 16 -3,-1.7 -1,-0.3 -4,-0.6 -2,-0.2 0.147 80.8 102.0-110.7 25.3 -0.9 11.4 0.9 48 48 A D < + 0 0 57 -3,-1.1 2,-0.2 -4,-0.1 -1,-0.1 0.906 68.0 80.9 -69.9 -40.8 0.9 14.7 0.2 49 49 A R S S- 0 0 115 -4,-0.4 2,-2.1 -3,-0.2 0, 0.0 -0.397 88.5-123.4 -69.9 145.7 -0.3 14.7 -3.4 50 50 A E + 0 0 190 -2,-0.2 -1,-0.1 2,-0.0 2,-0.1 -0.228 63.2 136.2 -84.5 60.9 -3.8 15.8 -4.0 51 51 A L - 0 0 61 -2,-2.1 2,-0.7 -4,-0.0 -31,-0.0 -0.450 64.6 -97.9-106.7 170.2 -5.0 12.7 -5.7 52 52 A T - 0 0 89 -31,-0.3 -31,-1.8 -2,-0.1 2,-0.3 -0.821 49.0-163.5 -84.7 116.7 -7.9 10.4 -5.8 53 53 A F E +J 20 0C 15 -2,-0.7 21,-1.4 -33,-0.2 2,-0.3 -0.798 16.2 179.1-108.7 149.5 -7.0 7.5 -3.5 54 54 A R E -JM 19 73C 45 -35,-2.4 -35,-3.0 -2,-0.3 2,-0.4 -0.949 19.3-136.9-135.0 158.5 -8.4 4.0 -3.0 55 55 A V E -JM 18 72C 0 17,-3.0 17,-2.6 -2,-0.3 2,-0.5 -0.938 9.6-158.7-114.7 139.3 -7.4 1.2 -0.7 56 56 A V E -JM 17 71C 0 -39,-2.5 -39,-2.2 -2,-0.4 3,-0.3 -0.975 10.0-174.5-117.9 121.6 -7.2 -2.4 -1.7 57 57 A V E S+ M 0 70C 2 13,-2.2 13,-2.0 -2,-0.5 52,-0.1 -0.724 70.6 32.2-106.9 158.6 -7.4 -5.1 1.0 58 58 A G S S+ 0 0 5 50,-0.6 2,-0.4 -43,-0.4 10,-0.3 0.831 86.3 150.8 63.8 28.2 -6.9 -8.7 0.3 59 59 A E + 0 0 16 -44,-0.4 -1,-0.2 -3,-0.3 3,-0.1 -0.788 14.9 153.1 -94.1 137.8 -4.5 -7.8 -2.5 60 60 A H + 0 0 6 -2,-0.4 85,-2.0 1,-0.4 2,-0.5 0.592 69.2 31.4-125.2 -51.4 -1.7 -10.1 -3.5 61 61 A N B > -O 144 0D 10 3,-0.3 3,-1.0 83,-0.2 -1,-0.4 -0.964 61.8-157.8-116.2 118.4 -0.8 -9.5 -7.1 62 62 A L T 3 S+ 0 0 37 81,-2.8 -1,-0.1 -2,-0.5 82,-0.1 0.707 93.6 44.6 -67.9 -21.4 -1.3 -6.0 -8.4 63 63 A N T 3 S+ 0 0 101 80,-0.2 2,-0.3 2,-0.0 -1,-0.2 0.270 110.6 53.4-106.2 9.0 -1.5 -7.2 -12.0 64 64 A Q S < S- 0 0 119 -3,-1.0 2,-0.5 79,-0.2 -3,-0.3 -0.995 85.9-102.5-142.4 150.9 -3.8 -10.2 -11.6 65 65 A N - 0 0 135 -2,-0.3 -3,-0.1 1,-0.2 -6,-0.0 -0.547 32.5-178.8 -70.6 119.1 -7.2 -11.0 -10.2 66 66 A D - 0 0 26 -2,-0.5 -1,-0.2 -5,-0.2 -4,-0.0 0.604 35.8-129.2 -91.5 -20.2 -6.6 -12.8 -6.9 67 67 A G S S+ 0 0 60 1,-0.1 -2,-0.1 2,-0.0 -8,-0.1 0.577 94.2 75.0 82.1 7.5 -10.2 -13.4 -6.1 68 68 A T + 0 0 24 -10,-0.3 -9,-0.1 40,-0.0 40,-0.1 0.421 62.7 121.3-130.2 -2.0 -9.8 -11.9 -2.7 69 69 A E - 0 0 26 -13,-0.1 2,-0.4 2,-0.0 -11,-0.2 -0.339 37.8-168.6 -71.2 148.0 -9.6 -8.2 -3.3 70 70 A Q E -M 57 0C 46 -13,-2.0 -13,-2.2 -2,-0.1 2,-0.5 -0.994 12.1-153.9-128.8 126.6 -11.9 -5.6 -1.7 71 71 A Y E +M 56 0C 115 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.899 17.7 174.6-106.9 127.6 -11.7 -2.1 -3.2 72 72 A V E -M 55 0C 6 -17,-2.6 -17,-3.0 -2,-0.5 -2,-0.0 -0.994 26.9-122.9-139.5 139.3 -12.7 0.9 -1.1 73 73 A G E -M 54 0C 32 -2,-0.4 27,-2.7 -19,-0.2 2,-0.6 -0.305 28.5-115.2 -72.7 159.6 -12.6 4.6 -1.5 74 74 A V E -N 99 0C 31 -21,-1.4 25,-0.2 25,-0.2 -21,-0.2 -0.866 31.6-179.9 -95.1 117.4 -10.8 6.8 1.0 75 75 A Q E + 0 0 108 23,-2.5 2,-0.3 -2,-0.6 24,-0.2 0.807 64.8 12.4 -91.9 -34.4 -13.3 9.0 2.7 76 76 A K E -N 98 0C 84 22,-1.5 22,-2.6 2,-0.0 2,-0.5 -0.993 59.3-154.6-146.4 145.4 -11.2 11.1 5.0 77 77 A I E -N 97 0C 67 -2,-0.3 2,-0.6 20,-0.2 20,-0.2 -0.975 7.9-172.5-123.3 120.0 -7.4 11.6 5.4 78 78 A V E -N 96 0C 25 18,-3.2 18,-2.6 -2,-0.5 2,-0.3 -0.924 8.0-170.0-115.2 105.5 -6.0 12.6 8.8 79 79 A V E -N 95 0C 48 -2,-0.6 16,-0.2 16,-0.2 14,-0.1 -0.696 38.7 -92.6 -91.8 147.4 -2.4 13.5 8.6 80 80 A H > - 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