==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 28-APR-09 3H7T . COMPND 2 MOLECULE: GROUP 3 ALLERGEN SMIPP-S YVT004A06; . SOURCE 2 ORGANISM_SCIENTIFIC: SARCOPTES SCABIEI TYPE HOMINIS; . AUTHOR A.M.BUCKLE . 468 3 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18829.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 303 64.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 137 29.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 5 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 1.1 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 . 35 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 56 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 38 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.5 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 2 0 0 0 1 2 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 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 . 7 7 3 12 2 2 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 . 0 0 0 0 0 2 0 2 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 I > 0 0 0 0, 0.0 3,-0.6 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 122.4 18.3 74.7 2.6 2 2 A I B 3 +A 180 0A 24 178,-2.7 178,-2.1 1,-0.2 127,-0.1 -0.825 360.0 12.7 -91.4 123.9 17.0 72.0 0.4 3 3 A G T 3 S+ 0 0 52 -2,-0.5 -1,-0.2 125,-0.4 2,-0.1 0.730 102.0 106.8 86.9 22.8 13.8 70.3 1.7 4 4 A G < - 0 0 29 -3,-0.6 2,-0.3 138,-0.1 138,-0.2 -0.226 61.5-117.0-107.4-156.4 12.9 72.8 4.3 5 5 A K E -B 141 0B 126 136,-2.5 136,-2.9 -2,-0.1 2,-0.1 -0.951 35.6 -75.3-145.5 162.5 10.2 75.4 4.5 6 6 A K E -B 140 0B 146 -2,-0.3 134,-0.3 134,-0.2 2,-0.1 -0.354 54.7-176.8 -60.8 133.2 9.8 79.2 4.7 7 7 A S - 0 0 12 132,-3.3 2,-0.3 51,-0.1 132,-0.2 -0.353 19.9-123.1-114.5-163.1 10.5 80.5 8.2 8 8 A D >> - 0 0 65 -2,-0.1 3,-1.7 130,-0.1 4,-0.9 -0.985 22.1-121.4-146.7 145.4 10.5 83.8 10.0 9 9 A I T 34 S+ 0 0 6 -2,-0.3 6,-0.2 1,-0.3 47,-0.1 0.738 113.0 63.6 -63.0 -21.2 13.2 85.7 11.9 10 10 A T T 34 S+ 0 0 71 1,-0.2 -1,-0.3 2,-0.2 92,-0.0 0.752 100.3 53.1 -72.9 -22.2 11.1 85.5 15.0 11 11 A K T <4 S+ 0 0 119 -3,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.743 127.2 20.7 -80.4 -26.3 11.3 81.7 14.9 12 12 A E S >< S+ 0 0 1 -4,-0.9 3,-2.4 3,-0.1 -1,-0.2 -0.431 71.6 164.6-137.9 64.4 15.2 81.9 14.7 13 13 A P T 3 S+ 0 0 8 0, 0.0 90,-2.0 0, 0.0 43,-0.2 0.534 73.0 64.9 -64.8 -7.2 16.0 85.4 16.1 14 14 A W T 3 S+ 0 0 35 88,-0.2 16,-2.3 90,-0.1 91,-0.2 0.634 80.3 104.8 -83.9 -19.0 19.7 84.3 16.6 15 15 A A E < +J 29 0C 2 -3,-2.4 41,-0.5 14,-0.2 2,-0.3 -0.422 46.1 174.9 -72.3 134.3 20.2 83.9 12.8 16 16 A V E -J 28 0C 1 12,-1.9 12,-1.9 -2,-0.2 2,-0.4 -0.924 28.4-119.6-131.4 161.8 22.2 86.5 10.9 17 17 A G E -JK 27 54C 0 37,-2.9 37,-2.6 -2,-0.3 2,-0.6 -0.811 16.6-151.0 -97.4 141.0 23.4 87.0 7.3 18 18 A V E -JK 26 53C 0 8,-3.3 8,-1.4 -2,-0.4 2,-0.5 -0.900 12.2-165.4-115.8 101.0 27.2 87.3 6.7 19 19 A L E - K 0 52C 52 33,-2.5 33,-3.0 -2,-0.6 2,-0.5 -0.764 4.7-169.3 -90.3 123.1 27.7 89.5 3.6 20 20 A V E > - K 0 51C 10 -2,-0.5 3,-2.2 3,-0.4 31,-0.2 -0.968 31.4-105.3-120.9 124.8 31.2 89.2 2.3 21 21 A D T 3 S- 0 0 104 29,-3.1 29,-0.1 -2,-0.5 30,-0.0 -0.236 96.8 -16.5 -56.3 120.8 32.5 91.6 -0.4 22 22 A E T 3 S+ 0 0 102 1,-0.2 -1,-0.3 -2,-0.0 -3,-0.0 0.615 121.0 99.3 57.7 20.0 32.7 89.9 -3.8 23 23 A K S < S- 0 0 82 -3,-2.2 -3,-0.4 1,-0.1 -1,-0.2 -0.805 83.5 -69.1-127.9 167.1 32.5 86.5 -2.0 24 24 A P - 0 0 55 0, 0.0 2,-0.1 0, 0.0 -4,-0.1 -0.213 51.7-111.1 -55.9 142.5 29.8 83.8 -1.3 25 25 A F - 0 0 7 -6,-0.1 161,-0.3 100,-0.1 2,-0.3 -0.428 37.9-175.1 -67.4 148.1 27.0 84.6 1.2 26 26 A a E -J 18 0C 4 -8,-1.4 -8,-3.3 159,-0.1 161,-0.2 -0.957 20.2-123.5-138.8 160.3 27.0 82.8 4.5 27 27 A G E -J 17 0C 1 159,-2.5 12,-0.5 -2,-0.3 2,-0.3 -0.481 28.7-178.9 -92.7 172.9 24.7 82.5 7.5 28 28 A G E -J 16 0C 0 -12,-1.9 -12,-1.9 -2,-0.2 2,-0.3 -0.912 17.9-126.4-157.4 179.2 25.7 83.2 11.1 29 29 A S E -JL 15 37C 1 8,-1.6 8,-2.3 -2,-0.3 2,-0.6 -0.999 23.1-113.7-143.1 142.5 24.4 83.2 14.7 30 30 A I E + L 0 36C 0 -16,-2.3 75,-3.2 73,-0.4 6,-0.2 -0.644 34.3 165.5 -74.6 116.4 24.3 85.8 17.5 31 31 A L S S- 0 0 10 4,-2.4 2,-0.3 -2,-0.6 5,-0.2 0.841 72.0 -16.1 -92.1 -47.1 26.5 84.7 20.5 32 32 A T S S- 0 0 40 3,-1.7 3,-0.5 72,-0.1 -1,-0.4 -0.887 80.4 -85.8-143.7 177.5 26.5 88.2 22.2 33 33 A A S S+ 0 0 26 -2,-0.3 62,-3.6 1,-0.2 3,-0.1 0.673 131.4 33.3 -60.0 -17.4 25.7 91.8 21.3 34 34 A N S S+ 0 0 67 60,-0.2 57,-2.2 1,-0.1 2,-0.4 0.534 112.1 66.9-115.0 -12.8 29.3 92.0 20.0 35 35 A F E + M 0 90C 21 -3,-0.5 -4,-2.4 55,-0.2 -3,-1.7 -0.942 47.8 179.9-127.1 134.5 30.0 88.5 18.7 36 36 A V E -LM 30 89C 0 53,-2.8 53,-3.5 -2,-0.4 2,-0.4 -0.963 16.2-146.5-124.9 142.7 28.7 86.4 15.8 37 37 A I E +LM 29 88C 0 -8,-2.3 -8,-1.6 -2,-0.4 51,-0.2 -0.939 29.2 149.4-112.1 134.9 29.8 82.9 14.8 38 38 A T E - M 0 87C 0 49,-2.7 49,-2.7 -2,-0.4 2,-0.3 -0.711 51.1 -66.3-140.5-172.6 29.9 81.6 11.2 39 39 A A >> - 0 0 0 -12,-0.5 3,-1.2 47,-0.3 4,-0.5 -0.649 34.6-132.6 -82.9 145.7 32.0 79.1 9.2 40 40 A A H >> S+ 0 0 0 -2,-0.3 4,-2.1 1,-0.2 3,-1.5 0.887 103.9 67.7 -61.0 -41.3 35.7 79.7 8.6 41 41 A Q H 34 S+ 0 0 60 1,-0.3 -1,-0.2 2,-0.2 145,-0.0 0.632 96.6 59.2 -52.0 -17.9 35.3 79.0 4.8 42 42 A a H <4 S+ 0 0 11 -3,-1.2 -1,-0.3 1,-0.1 -2,-0.2 0.816 122.7 12.1 -80.8 -35.2 33.2 82.1 4.6 43 43 A V H X< S+ 0 0 0 -3,-1.5 3,-2.3 -4,-0.5 -2,-0.2 0.356 78.8 141.3-134.5 0.8 35.7 84.7 5.8 44 44 A D T 3< S+ 0 0 69 -4,-2.1 3,-0.1 1,-0.3 43,-0.0 -0.333 85.6 2.1 -55.2 118.7 39.2 83.1 5.9 45 45 A G T 3 S+ 0 0 65 1,-0.3 2,-0.5 -2,-0.1 -1,-0.3 0.617 101.4 130.6 77.6 15.9 41.7 85.7 4.7 46 46 A T < - 0 0 27 -3,-2.3 -1,-0.3 2,-0.0 189,-0.1 -0.883 60.9-118.6-106.6 130.1 39.1 88.4 4.3 47 47 A K > - 0 0 155 -2,-0.5 3,-1.7 1,-0.1 22,-0.1 -0.381 23.0-123.6 -62.4 139.0 39.5 91.9 5.8 48 48 A P G > S+ 0 0 38 0, 0.0 3,-1.8 0, 0.0 21,-0.9 0.787 108.3 63.9 -58.0 -32.3 36.8 92.9 8.4 49 49 A S G 3 S+ 0 0 75 1,-0.3 -2,-0.0 21,-0.1 21,-0.0 0.709 97.1 58.5 -66.3 -19.8 35.8 96.0 6.4 50 50 A D G < S+ 0 0 67 -3,-1.7 -29,-3.1 -29,-0.1 2,-0.4 0.343 96.2 83.0 -87.5 5.4 34.7 93.7 3.6 51 51 A I E < -K 20 0C 1 -3,-1.8 18,-2.1 -31,-0.2 2,-0.4 -0.938 55.2-174.2-120.6 132.4 32.3 91.9 5.9 52 52 A S E -KN 19 68C 24 -33,-3.0 -33,-2.5 -2,-0.4 2,-0.5 -0.943 15.5-146.3-121.7 143.9 28.7 92.9 7.0 53 53 A I E -KN 18 67C 0 14,-2.7 14,-1.7 -2,-0.4 2,-0.6 -0.959 13.4-161.9-110.3 119.9 26.4 91.3 9.5 54 54 A H E +KN 17 66C 4 -37,-2.6 -37,-2.9 -2,-0.5 2,-0.3 -0.909 20.7 168.4-107.5 117.5 22.7 91.5 8.6 55 55 A Y E + N 0 65C 11 10,-2.5 10,-2.0 -2,-0.6 -39,-0.1 -0.859 42.5 34.5-131.3 160.3 20.3 91.0 11.5 56 56 A G S S+ 0 0 18 45,-0.5 2,-0.3 -41,-0.5 46,-0.1 0.654 90.6 101.1 74.8 20.3 16.6 91.2 12.5 57 57 A S - 0 0 7 -42,-0.2 -1,-0.2 -3,-0.1 7,-0.1 -0.991 64.5-147.7-137.6 143.7 15.1 90.3 9.2 58 58 A S S S+ 0 0 19 -2,-0.3 81,-1.8 5,-0.2 2,-0.2 0.617 84.3 87.8 -71.8 -17.6 13.6 87.3 7.5 59 59 A Y B S-P 138 0D 99 3,-0.4 79,-0.2 79,-0.2 -2,-0.1 -0.618 81.0-130.8 -91.5 148.1 15.1 88.6 4.2 60 60 A R S S+ 0 0 62 77,-1.9 -6,-0.1 -2,-0.2 -1,-0.1 0.839 96.9 1.8 -65.0 -40.4 18.6 87.8 3.1 61 61 A T S S+ 0 0 66 76,-0.2 2,-0.3 3,-0.0 -1,-0.2 0.436 119.5 60.2-130.2 -6.7 19.9 91.3 2.3 62 62 A T S S+ 0 0 75 1,-0.1 -3,-0.4 -8,-0.1 3,-0.1 -0.824 79.4 30.1-130.8 162.5 17.1 93.8 3.2 63 63 A K S S+ 0 0 169 -2,-0.3 -5,-0.2 1,-0.2 2,-0.1 0.715 97.0 69.7 67.6 29.1 14.8 95.2 5.9 64 64 A G S S- 0 0 37 -3,-0.1 2,-0.4 -7,-0.1 -1,-0.2 -0.350 90.0 -69.5-134.2-133.8 17.0 94.8 9.0 65 65 A T E -N 55 0C 67 -10,-2.0 -10,-2.5 -2,-0.1 2,-0.4 -0.981 35.3-154.7-130.9 140.6 20.1 96.4 10.3 66 66 A S E -N 54 0C 73 -2,-0.4 2,-0.4 -12,-0.2 -12,-0.2 -0.950 11.4-177.5-117.4 140.0 23.6 96.0 8.9 67 67 A V E -N 53 0C 14 -14,-1.7 -14,-2.7 -2,-0.4 2,-0.1 -0.998 25.2-119.2-138.9 136.1 26.7 96.4 11.0 68 68 A M E -N 52 0C 95 -2,-0.4 24,-2.9 -16,-0.2 25,-0.4 -0.370 29.0-111.3 -73.2 151.4 30.4 96.2 9.8 69 69 A A E -O 91 0C 2 -18,-2.1 22,-0.3 -21,-0.9 -18,-0.2 -0.592 26.3-175.2 -77.8 146.7 32.8 93.7 11.2 70 70 A K E + 0 0 80 20,-3.5 2,-0.3 1,-0.4 21,-0.2 0.780 68.1 9.5-104.3 -53.0 35.7 94.9 13.3 71 71 A K E -O 90 0C 78 19,-1.2 19,-2.8 -23,-0.1 2,-0.5 -0.971 59.4-149.9-133.8 148.5 37.8 91.8 13.9 72 72 A I E -O 89 0C 4 -2,-0.3 163,-3.2 163,-0.2 2,-0.6 -0.977 10.5-159.2-118.8 127.2 37.8 88.2 12.6 73 73 A Y E +O 88 0C 11 15,-3.1 15,-2.4 -2,-0.5 2,-0.4 -0.938 13.1 174.8-112.3 118.0 38.9 85.3 14.7 74 74 A I E -O 87 0C 24 -2,-0.6 2,-0.6 159,-0.3 13,-0.1 -0.978 15.0-159.1-118.6 133.1 40.0 82.1 13.0 75 75 A V - 0 0 8 11,-0.6 11,-0.1 -2,-0.4 -35,-0.1 -0.761 69.0 -47.1-118.5 85.4 41.5 79.2 15.1 76 76 A R S S- 0 0 59 -2,-0.6 2,-0.1 1,-0.2 -1,-0.1 0.822 70.2-171.9 64.1 39.4 43.5 76.8 12.8 77 77 A Y - 0 0 27 9,-0.1 7,-0.2 1,-0.1 -1,-0.2 -0.425 7.5-159.6 -58.6 128.6 41.1 76.4 9.9 78 78 A H B >>> -Q 83 0E 8 5,-2.2 4,-2.2 1,-0.1 5,-1.0 -0.890 5.2-168.3-113.3 99.3 42.4 73.8 7.5 79 79 A P T 345S+ 0 0 77 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.775 80.7 62.2 -63.9 -24.7 40.7 74.3 4.2 80 80 A L T 345S+ 0 0 109 1,-0.2 83,-0.1 2,-0.1 84,-0.0 0.914 124.8 16.2 -65.8 -43.8 41.9 71.0 2.7 81 81 A T T <45S- 0 0 5 -3,-0.6 -1,-0.2 2,-0.1 3,-0.1 0.494 101.4-127.0-102.2 -9.1 40.1 68.8 5.3 82 82 A M T ><5 + 0 0 20 -4,-2.2 3,-0.8 1,-0.2 -42,-0.1 0.720 49.4 168.9 62.2 26.3 37.8 71.7 6.4 83 83 A Q B 3 < +Q 78 0E 8 -5,-1.0 -5,-2.2 1,-0.2 -1,-0.2 -0.400 60.9 12.5 -66.5 142.9 38.9 71.0 10.0 84 84 A N T 3 S- 0 0 20 -7,-0.2 2,-2.2 1,-0.2 -9,-0.3 0.881 80.7-179.1 58.2 42.9 38.0 73.6 12.6 85 85 A N < + 0 0 1 -3,-0.8 2,-0.3 -8,-0.1 130,-0.2 -0.431 36.6 103.4 -80.8 68.3 35.7 75.3 10.1 86 86 A Y - 0 0 1 -2,-2.2 -11,-0.6 -47,-0.3 2,-0.3 -0.989 43.6-170.0-141.7 153.1 34.4 78.1 12.3 87 87 A A E -MO 38 74C 0 -49,-2.7 -49,-2.7 -2,-0.3 2,-0.5 -0.997 13.7-144.1-139.5 147.3 35.0 81.9 12.6 88 88 A V E -MO 37 73C 0 -15,-2.4 -15,-3.1 -2,-0.3 2,-0.5 -0.947 14.7-159.0-111.9 129.6 34.0 84.4 15.2 89 89 A I E -MO 36 72C 0 -53,-3.5 -53,-2.8 -2,-0.5 2,-0.5 -0.916 3.9-154.3-109.1 126.7 33.2 87.9 14.0 90 90 A E E -MO 35 71C 24 -19,-2.8 -20,-3.5 -2,-0.5 -19,-1.2 -0.887 22.5-130.8 -95.8 132.3 33.3 90.9 16.3 91 91 A T E - O 0 69C 1 -57,-2.2 -22,-0.2 -2,-0.5 -23,-0.1 -0.446 7.2-131.6 -82.6 154.4 31.1 93.8 15.2 92 92 A E S S+ 0 0 105 -24,-2.9 -23,-0.1 -2,-0.1 -1,-0.1 0.889 97.0 21.6 -66.1 -44.2 32.1 97.5 14.9 93 93 A M S S- 0 0 70 -25,-0.4 -1,-0.1 -60,-0.0 -23,-0.1 -0.879 101.9 -87.3-122.6 155.9 29.0 98.5 16.9 94 94 A P - 0 0 85 0, 0.0 2,-0.4 0, 0.0 -60,-0.2 -0.325 41.3-113.8 -65.3 144.1 26.8 96.5 19.3 95 95 A I - 0 0 5 -62,-3.6 2,-1.5 -63,-0.1 -60,-0.1 -0.645 28.6-122.2 -76.3 130.1 23.9 94.4 17.9 96 96 A K - 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