==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER UNKNOWN FUNCTION 20-SEP-04 1XHH . COMPND 2 MOLECULE: BETA-MICROSEMINOPROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; . AUTHOR I.WANG,Y.C.LOU,K.P.WU,S.H.WU,W.C.CHANG,C.CHEN . 91 1 5 5 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6703.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 47 51.6 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 . 34 37.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 2.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 2.2 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 . 10 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 3 3.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 1 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 1.1 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 2 1 2 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 0 ANTIPARALLEL BRIDGES PER LADDER . 2 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 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 Q 0 0 232 0, 0.0 46,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 110.3 -3.0 -3.0 -13.4 2 2 A a - 0 0 49 46,-0.2 2,-0.3 43,-0.0 45,-0.2 0.217 360.0-133.7 54.7 168.8 -0.7 -2.1 -10.5 3 3 A Y E -A 46 0A 93 43,-1.9 43,-2.0 2,-0.0 2,-0.4 -0.952 8.0-144.8-150.3 168.9 0.8 1.4 -10.5 4 4 A F E -A 45 0A 150 -2,-0.3 41,-0.2 41,-0.2 43,-0.0 -0.959 7.3-164.9-144.7 124.8 4.2 3.2 -9.9 5 5 A I E -A 44 0A 55 39,-1.7 39,-1.5 -2,-0.4 3,-0.1 -0.918 31.6-110.7-110.8 131.7 4.9 6.5 -8.2 6 6 A P E -A 43 0A 87 0, 0.0 2,-0.5 0, 0.0 37,-0.2 -0.294 44.8 -94.5 -58.7 136.2 8.3 8.3 -8.7 7 7 A N - 0 0 43 35,-0.6 10,-0.1 33,-0.2 8,-0.0 -0.307 43.0-174.8 -53.6 105.6 10.3 8.3 -5.4 8 8 A Q + 0 0 81 -2,-0.5 -1,-0.2 8,-0.5 2,-0.1 0.740 52.4 104.6 -78.3 -20.3 9.3 11.7 -4.0 9 9 A S - 0 0 22 7,-0.2 5,-0.1 1,-0.2 7,-0.0 -0.391 64.3-151.4 -62.0 130.8 11.8 11.4 -1.2 10 10 A L S S+ 0 0 168 -2,-0.1 -1,-0.2 2,-0.1 -2,-0.0 0.488 75.9 89.4 -82.8 0.2 14.8 13.6 -1.9 11 11 A K S > S- 0 0 131 1,-0.1 2,-4.5 2,-0.0 3,-0.7 -0.852 78.8-139.0-100.5 111.6 17.0 11.1 0.1 12 12 A P T 3 S+ 0 0 131 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.086 95.9 57.8 -62.4 52.2 18.4 8.3 -2.1 13 13 A N T 3 S+ 0 0 98 -2,-4.5 12,-2.0 -4,-0.0 2,-0.3 0.067 90.5 72.9-171.4 39.7 17.7 5.8 0.7 14 14 A E E < -D 24 0B 81 -3,-0.7 2,-0.3 10,-0.3 12,-0.1 -0.909 54.5-146.0-149.4 177.3 14.0 5.9 1.5 15 15 A b E +D 23 0B 1 8,-1.5 8,-2.5 -2,-0.3 2,-0.3 -0.848 24.9 159.9-154.8 112.9 10.6 4.9 0.2 16 16 A Q E +D 22 0B 75 -2,-0.3 -8,-0.5 6,-0.2 2,-0.3 -0.975 4.8 168.1-136.0 150.7 7.3 6.8 0.7 17 17 A D E > -D 21 0B 11 4,-0.6 4,-1.3 -2,-0.3 3,-0.4 -0.990 56.0 -13.5-158.2 150.1 3.9 6.9 -1.1 18 18 A L T 4 S- 0 0 61 -2,-0.3 46,-0.0 1,-0.2 44,-0.0 -0.189 103.2 -65.4 51.6-145.2 0.4 8.3 -0.4 19 19 A K T 4 S+ 0 0 93 -3,-0.1 -1,-0.2 60,-0.1 57,-0.1 0.457 132.7 49.6-115.7 -6.5 0.1 9.4 3.2 20 20 A G T 4 S+ 0 0 42 -3,-0.4 -2,-0.2 55,-0.1 2,-0.1 0.776 92.0 79.6-102.5 -34.7 0.4 5.9 4.9 21 21 A V E < +D 17 0B 29 -4,-1.3 -4,-0.6 2,-0.0 -5,-0.0 -0.485 49.8 131.7 -74.5 144.6 3.6 4.5 3.2 22 22 A S E +D 16 0B 75 -6,-0.2 -6,-0.2 -2,-0.1 -3,-0.0 -0.207 18.0 132.7 168.3 92.8 6.9 5.8 4.6 23 23 A H E -D 15 0B 80 -8,-2.5 -8,-1.5 -2,-0.0 3,-0.1 -0.990 56.1 -84.0-150.0 156.9 9.9 3.6 5.6 24 24 A P E -D 14 0B 83 0, 0.0 -10,-0.3 0, 0.0 -2,-0.1 -0.133 54.4 -95.5 -58.2 156.8 13.7 3.6 5.0 25 25 A L + 0 0 47 -12,-2.0 -10,-0.1 1,-0.2 0, 0.0 -0.377 59.7 141.3 -71.8 154.0 15.0 2.0 1.8 26 26 A N - 0 0 118 1,-0.3 2,-0.3 -12,-0.1 -1,-0.2 0.272 58.3 -64.5-157.1 -57.9 16.1 -1.7 2.0 27 27 A S - 0 0 72 13,-0.0 2,-0.5 2,-0.0 -1,-0.3 -0.940 61.6 -56.6-178.6-160.6 15.3 -3.8 -1.1 28 28 A V - 0 0 85 -2,-0.3 2,-0.3 10,-0.2 10,-0.2 -0.906 47.8-176.1-109.0 127.5 12.4 -5.3 -3.1 29 29 A W E -B 37 0A 84 8,-1.4 8,-1.7 -2,-0.5 2,-0.3 -0.910 8.3-173.9-121.9 150.3 9.8 -7.4 -1.3 30 30 A K E -B 36 0A 133 -2,-0.3 6,-0.2 6,-0.2 -2,-0.0 -0.879 22.9-131.0-146.0 111.1 6.8 -9.3 -2.7 31 31 A T - 0 0 41 4,-1.4 3,-0.0 -2,-0.3 36,-0.0 -0.074 24.9-118.2 -53.1 161.9 4.2 -11.1 -0.6 32 32 A K S S- 0 0 209 1,-0.2 -1,-0.1 4,-0.0 4,-0.0 0.823 97.6 -17.1 -75.7 -28.3 3.4 -14.7 -1.6 33 33 A D S S+ 0 0 126 2,-0.1 -1,-0.2 0, 0.0 3,-0.1 -0.079 127.2 62.2-172.1 57.4 -0.2 -13.8 -2.3 34 34 A c S S- 0 0 25 1,-0.4 16,-0.9 16,-0.1 15,-0.9 0.378 102.7 -11.6-150.2 -52.9 -1.3 -10.6 -0.6 35 35 A E E - C 0 48A 20 13,-0.2 -4,-1.4 14,-0.1 -1,-0.4 -0.972 49.5-146.4-152.9 166.6 0.6 -7.5 -1.9 36 36 A E E +BC 30 47A 76 11,-1.8 11,-2.6 -2,-0.3 2,-0.3 -0.990 20.4 165.4-142.0 131.6 3.6 -6.5 -4.0 37 37 A d E -BC 29 46A 16 -8,-1.7 -8,-1.4 -2,-0.4 2,-0.3 -0.985 8.0-176.7-149.0 135.8 5.9 -3.5 -3.6 38 38 A T E - C 0 45A 30 7,-2.4 7,-1.1 -2,-0.3 2,-0.8 -0.974 20.7-140.9-132.5 147.1 9.4 -2.7 -5.0 39 39 A b E - C 0 44A 13 -2,-0.3 2,-0.3 -12,-0.3 5,-0.2 -0.786 20.7-166.3-109.8 92.0 11.7 0.3 -4.3 40 40 A G - 0 0 33 3,-1.7 -33,-0.2 -2,-0.8 3,-0.1 -0.581 29.3-126.6 -77.6 134.3 13.4 1.3 -7.6 41 41 A Q S S+ 0 0 200 -2,-0.3 -1,-0.2 1,-0.3 3,-0.1 0.640 115.9 33.3 -55.8 -6.8 16.3 3.6 -7.2 42 42 A D S S- 0 0 145 1,-0.4 -35,-0.6 -36,-0.0 2,-0.3 0.593 135.2 -9.2-120.8 -23.8 14.3 5.8 -9.7 43 43 A A E -A 6 0A 29 -37,-0.2 -3,-1.7 -3,-0.1 2,-0.4 -0.945 64.0-111.2-160.4-179.8 10.7 5.0 -8.8 44 44 A I E -AC 5 39A 6 -39,-1.5 -39,-1.7 -2,-0.3 2,-0.5 -0.980 21.5-163.0-129.0 124.6 8.5 2.7 -6.7 45 45 A S E +AC 4 38A 46 -7,-1.1 -7,-2.4 -2,-0.4 2,-0.4 -0.911 15.3 170.3-109.7 123.7 6.2 -0.0 -8.2 46 46 A d E -AC 3 37A 9 -43,-2.0 -43,-1.9 -2,-0.5 2,-0.3 -0.991 6.9-176.5-133.5 138.9 3.4 -1.4 -6.0 47 47 A a E - C 0 36A 27 -11,-2.6 -11,-1.8 -2,-0.4 2,-0.4 -0.850 10.6-151.3-128.3 166.0 0.5 -3.7 -6.9 48 48 A N E + C 0 35A 46 -2,-0.3 -46,-0.2 -13,-0.2 -13,-0.2 -0.988 19.6 169.0-142.2 131.2 -2.5 -5.2 -5.0 49 49 A T + 0 0 93 -15,-0.9 -14,-0.1 -2,-0.4 -1,-0.1 0.630 52.6 100.1-112.5 -23.3 -4.4 -8.4 -5.7 50 50 A A S S- 0 0 31 -16,-0.9 40,-0.1 1,-0.1 -16,-0.1 -0.067 93.1 -69.5 -57.1 167.3 -6.5 -8.6 -2.5 51 51 A A - 0 0 30 1,-0.1 40,-0.3 38,-0.1 -1,-0.1 -0.051 54.0-119.8 -53.1 164.1 -10.2 -7.5 -2.8 52 52 A I E -E 90 0C 65 38,-2.5 38,-1.8 -3,-0.1 2,-0.1 -0.926 26.1-105.8-113.3 134.2 -10.7 -3.7 -3.3 53 53 A P E -E 89 0C 14 0, 0.0 36,-0.3 0, 0.0 3,-0.2 -0.338 45.7-176.3 -57.9 122.9 -12.7 -1.6 -0.9 54 54 A T E +E 88 0C 59 34,-0.8 34,-0.9 1,-0.2 33,-0.4 -0.485 58.9 45.0-111.1-175.2 -16.1 -0.8 -2.4 55 55 A G S S+ 0 0 48 1,-0.2 2,-0.9 32,-0.2 -1,-0.2 0.606 80.1 137.1 57.3 3.5 -19.0 1.4 -1.2 56 56 A Y - 0 0 31 -3,-0.2 2,-0.4 32,-0.1 -1,-0.2 -0.701 58.3-132.5 -84.8 107.5 -16.2 3.9 -0.4 57 57 A D - 0 0 92 -2,-0.9 2,-2.7 1,-0.1 3,-0.4 -0.406 17.4-130.5 -60.1 113.6 -17.4 7.3 -1.6 58 58 A T + 0 0 123 -2,-0.4 -1,-0.1 1,-0.2 -2,-0.0 -0.363 64.1 130.0 -67.0 78.0 -14.4 8.7 -3.5 59 59 A N S S- 0 0 133 -2,-2.7 -1,-0.2 0, 0.0 -2,-0.0 0.882 85.7 -44.2 -97.3 -59.5 -14.4 12.0 -1.7 60 60 A K S S+ 0 0 131 -3,-0.4 17,-0.9 2,-0.0 2,-0.2 -0.069 96.5 111.3-170.8 54.7 -10.8 12.5 -0.5 61 61 A e E -F 76 0D 21 15,-0.2 2,-0.3 -4,-0.1 15,-0.2 -0.720 50.9-130.7-126.0 178.0 -9.3 9.4 1.0 62 62 A Q E -F 75 0D 21 13,-2.9 13,-1.0 -2,-0.2 2,-0.4 -0.954 11.8-135.3-131.4 151.7 -6.5 6.9 -0.0 63 63 A K E +F 74 0D 108 -2,-0.3 2,-0.4 11,-0.2 11,-0.2 -0.893 23.3 177.3-109.6 135.1 -6.5 3.0 -0.1 64 64 A I E -F 73 0D 29 9,-2.7 9,-3.4 -2,-0.4 2,-0.7 -0.996 24.7-135.8-137.6 134.3 -3.5 1.0 1.2 65 65 A L E -F 72 0D 7 -2,-0.4 2,-1.0 7,-0.2 7,-0.2 -0.776 17.8-141.5 -91.8 117.9 -3.1 -2.8 1.4 66 66 A N E > > -F 71 0D 48 5,-2.2 5,-1.8 -2,-0.7 3,-0.6 -0.641 14.9-172.2 -79.6 104.3 -1.7 -3.8 4.8 67 67 A K T 3 5S+ 0 0 128 -2,-1.0 -1,-0.2 1,-0.2 -32,-0.1 0.594 72.2 85.4 -73.1 -6.1 0.7 -6.7 4.0 68 68 A K T 3 5S- 0 0 163 1,-0.2 -1,-0.2 3,-0.1 -2,-0.0 0.965 119.1 -2.7 -60.0 -50.0 1.0 -7.3 7.7 69 69 A T T < 5S- 0 0 99 -3,-0.6 -1,-0.2 2,-0.1 -2,-0.2 0.025 107.1 -99.9-130.3 26.9 -2.1 -9.5 7.8 70 70 A c T 5S+ 0 0 66 -4,-0.5 2,-0.3 1,-0.2 -3,-0.2 0.982 76.7 135.5 52.7 73.8 -3.2 -9.3 4.2 71 71 A T E < -F 66 0D 50 -5,-1.8 -5,-2.2 -21,-0.1 2,-0.5 -0.951 55.1-116.1-145.3 165.2 -6.0 -6.7 4.6 72 72 A Y E +F 65 0D 34 -2,-0.3 -7,-0.2 -7,-0.2 2,-0.2 -0.911 33.7 178.7-109.9 123.6 -7.2 -3.5 2.9 73 73 A T E -F 64 0D 45 -9,-3.4 -9,-2.7 -2,-0.5 2,-0.3 -0.703 14.7-153.0-116.0 170.1 -7.0 -0.2 4.9 74 74 A V E +F 63 0D 2 -11,-0.2 10,-2.4 -2,-0.2 -11,-0.2 -0.907 13.4 180.0-148.0 116.7 -8.0 3.4 3.9 75 75 A V E -FG 62 83D 15 -13,-1.0 -13,-2.9 -2,-0.3 2,-0.4 -0.588 27.2-112.2-109.6 174.7 -6.4 6.6 5.4 76 76 A E E > -FG 61 79D 60 3,-1.3 3,-2.2 6,-0.7 -15,-0.2 -0.842 18.0-125.4-109.6 146.5 -7.1 10.3 4.7 77 77 A K T 3 S+ 0 0 88 -17,-0.9 -1,-0.1 -2,-0.4 -16,-0.1 0.867 117.1 39.3 -56.1 -34.4 -4.7 12.7 3.0 78 78 A K T 3 S+ 0 0 158 1,-0.2 -1,-0.3 -3,-0.0 -17,-0.0 0.155 120.8 46.8-101.7 20.3 -5.1 15.0 6.1 79 79 A D E < +G 76 0D 50 -3,-2.2 -3,-1.3 3,-0.1 2,-1.3 -0.362 55.9 177.9-158.7 71.1 -5.1 12.1 8.6 80 80 A P E S+ 0 0 79 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 0.157 87.5 41.1 -65.1 27.5 -2.4 9.5 8.1 81 81 A G E S+ 0 0 56 -2,-1.3 2,-0.3 1,-0.3 -2,-0.1 0.502 98.1 70.0-139.8 -47.5 -3.7 7.8 11.3 82 82 A K E S- 0 0 135 -6,-0.1 -6,-0.7 -3,-0.1 -1,-0.3 -0.581 83.5-118.9 -80.1 140.5 -7.5 7.8 11.3 83 83 A T E -G 75 0D 85 -2,-0.3 -8,-0.3 -8,-0.2 3,-0.1 -0.520 26.3-129.4 -78.1 145.2 -9.2 5.6 8.7 84 84 A e - 0 0 15 -10,-2.4 2,-0.4 -22,-0.2 -10,-0.1 0.074 50.8 -52.6 -77.4-163.4 -11.4 7.3 6.1 85 85 A D + 0 0 89 -28,-0.2 2,-0.3 -10,-0.1 -1,-0.2 -0.588 66.3 173.7 -76.7 130.1 -15.0 6.2 5.3 86 86 A V + 0 0 49 -2,-0.4 -31,-0.1 1,-0.1 3,-0.1 -0.834 23.2 176.5-130.2 169.6 -15.2 2.5 4.5 87 87 A T - 0 0 95 1,-0.4 2,-0.3 -33,-0.4 -32,-0.2 0.492 58.3 -59.2-140.7 -48.3 -18.1 0.1 3.8 88 88 A G E -E 54 0C 14 -34,-0.9 -34,-0.8 2,-0.0 -1,-0.4 -0.912 48.8 -96.6-176.2-157.0 -16.8 -3.4 2.8 89 89 A W E -E 53 0C 160 -2,-0.3 2,-0.4 -36,-0.3 -38,-0.1 -0.995 22.7-166.8-150.0 141.8 -14.6 -5.2 0.2 90 90 A V E E 52 0C 79 -38,-1.8 -38,-2.5 -2,-0.3 -2,-0.0 -0.968 360.0 360.0-130.2 146.3 -15.3 -7.1 -3.0 91 91 A L 0 0 198 -2,-0.4 -1,-0.1 -40,-0.3 0, 0.0 0.843 360.0 360.0 -46.2 360.0 -13.0 -9.4 -5.1