==== 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 3H7O . COMPND 2 MOLECULE: GROUP 3 ALLERGEN SMIPP-S YV6023A04; . SOURCE 2 ORGANISM_SCIENTIFIC: SARCOPTES SCABIEI TYPE HOMINIS; . AUTHOR A.M.BUCKLE . 453 3 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19674.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 298 65.8 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 . 141 31.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.9 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 . 6 1.3 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 . 1 0.2 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 . 32 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 60 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 36 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 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 2 0 0 0 4 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 . 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 3 7 9 2 4 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 2 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 2 A K 0 0 106 0, 0.0 176,-2.1 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 128.7 20.6 55.9 8.2 2 3 A G - 0 0 33 1,-0.3 176,-0.1 174,-0.2 142,-0.0 0.079 360.0 -58.3 -94.2-151.9 23.4 57.1 10.4 3 4 A G - 0 0 25 1,-0.1 -1,-0.3 125,-0.1 2,-0.2 -0.012 64.3 -76.8 -80.8-169.1 25.0 60.5 10.9 4 5 A E E -A 144 0A 89 140,-1.9 140,-2.0 1,-0.1 -1,-0.1 -0.633 55.5 -83.3 -94.7 151.5 26.6 62.8 8.3 5 6 A K E -A 143 0A 143 -2,-0.2 2,-0.3 138,-0.2 138,-0.2 -0.226 54.3-175.3 -50.4 135.6 30.1 62.5 6.8 6 7 A T - 0 0 21 136,-2.3 136,-0.2 54,-0.2 2,-0.2 -0.999 25.5-119.6-143.7 137.0 32.7 64.0 9.1 7 8 A D >> - 0 0 78 -2,-0.3 3,-2.0 1,-0.1 4,-0.7 -0.557 25.8-124.0 -75.9 143.2 36.4 64.6 8.9 8 9 A I G >4 S+ 0 0 0 1,-0.3 3,-0.8 -2,-0.2 6,-0.3 0.808 108.1 69.2 -56.7 -30.2 38.6 62.9 11.6 9 10 A K G 34 S+ 0 0 100 1,-0.3 -1,-0.3 2,-0.2 97,-0.0 0.671 94.7 56.5 -65.7 -16.7 40.0 66.3 12.6 10 11 A Q G <4 S+ 0 0 140 -3,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.799 125.1 20.2 -78.7 -33.9 36.6 67.2 14.0 11 12 A V S X< S+ 0 0 0 -3,-0.8 3,-2.4 -4,-0.7 -1,-0.2 -0.475 74.9 165.4-133.6 60.9 36.5 64.2 16.3 12 13 A P T 3 + 0 0 10 0, 0.0 95,-1.5 0, 0.0 46,-0.2 0.517 69.8 66.2 -67.5 -6.9 40.2 63.2 16.6 13 14 A W T 3 S+ 0 0 14 93,-0.2 19,-2.4 95,-0.1 2,-0.2 0.511 79.4 109.1 -83.1 -9.7 39.7 60.9 19.6 14 15 A T E < +I 31 0B 0 -3,-2.4 44,-0.5 -6,-0.3 45,-0.3 -0.499 42.4 166.6 -76.6 134.2 37.6 58.5 17.4 15 16 A V E -IJ 30 57B 0 15,-2.1 15,-1.4 -2,-0.2 2,-0.5 -0.918 33.6-122.9-135.1 164.7 39.1 55.1 16.5 16 17 A A E -IJ 29 56B 1 40,-2.8 40,-3.0 -2,-0.3 2,-0.7 -0.953 19.1-149.3-104.2 132.3 37.9 51.8 15.0 17 18 A V E -IJ 28 55B 1 11,-3.3 11,-2.0 -2,-0.5 2,-0.5 -0.914 15.3-157.5-100.6 113.4 38.6 48.7 17.1 18 19 A R E +IJ 27 54B 44 36,-3.3 36,-2.2 -2,-0.7 2,-0.3 -0.813 16.6 171.3 -97.0 127.8 39.1 45.7 14.8 19 20 A T E -I 26 0B 4 7,-2.5 7,-2.8 -2,-0.5 34,-0.1 -0.853 26.8-143.7-128.2 166.7 38.5 42.2 16.1 20 21 A Y > + 0 0 106 -2,-0.3 3,-0.9 5,-0.2 2,-0.3 -0.392 26.4 169.0-131.1 57.0 38.4 38.8 14.4 21 22 A P G > S+ 0 0 40 0, 0.0 3,-1.2 0, 0.0 -2,-0.1 -0.542 73.0 0.4 -73.9 133.9 35.7 36.6 16.0 22 23 A G G 3 S- 0 0 76 -2,-0.3 3,-0.1 1,-0.3 0, 0.0 0.848 129.1 -60.2 61.3 41.3 34.9 33.3 14.1 23 24 A E G < S+ 0 0 137 -3,-0.9 2,-0.4 1,-0.2 -1,-0.3 0.558 116.8 106.2 67.1 10.2 37.4 33.9 11.2 24 25 A E < - 0 0 98 -3,-1.2 2,-0.3 -4,-0.0 -1,-0.2 -0.977 69.4-125.1-126.3 132.7 35.6 37.2 10.3 25 26 A S + 0 0 58 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.545 30.5 178.7 -77.0 134.0 36.7 40.8 10.9 26 27 A L E -I 19 0B 73 -7,-2.8 -7,-2.5 -2,-0.3 2,-0.4 -0.904 13.6-145.9-126.6 158.7 34.4 43.1 12.8 27 28 A T E +I 18 0B 11 -2,-0.3 2,-0.3 -9,-0.2 105,-0.3 -0.975 14.2 177.7-127.4 144.3 34.7 46.7 13.9 28 29 A a E -I 17 0B 13 -11,-2.0 -11,-3.3 -2,-0.4 156,-0.2 -0.867 34.4-100.7-126.7 165.9 33.5 48.7 16.9 29 30 A G E +I 16 0B 0 154,-2.8 12,-0.5 -2,-0.3 2,-0.3 -0.418 40.2 176.6 -79.0 163.9 34.0 52.3 17.9 30 31 A G E -IK 15 40B 0 -15,-1.4 -15,-2.1 10,-0.2 2,-0.4 -0.975 21.9-129.8-159.4 165.8 36.6 53.5 20.5 31 32 A A E -IK 14 39B 1 8,-2.6 8,-2.9 -2,-0.3 2,-0.5 -0.982 21.6-123.2-125.4 135.5 38.0 56.6 22.1 32 33 A I E + K 0 38B 0 -19,-2.4 77,-2.7 -2,-0.4 6,-0.2 -0.638 29.1 172.4 -72.6 120.4 41.7 57.6 22.5 33 34 A L S S- 0 0 13 4,-2.5 2,-0.3 -2,-0.5 5,-0.2 0.702 70.8 -36.4 -94.4 -32.3 42.3 58.2 26.3 34 35 A S S S- 0 0 26 3,-1.5 -1,-0.5 73,-0.1 3,-0.3 -0.927 76.9 -73.5-169.1-176.0 46.1 58.6 25.7 35 36 A Q S S+ 0 0 85 -2,-0.3 64,-2.7 1,-0.2 3,-0.1 0.707 132.2 41.7 -63.7 -18.2 48.8 57.1 23.5 36 37 A W S S+ 0 0 55 62,-0.2 59,-2.3 192,-0.2 2,-0.4 0.654 112.2 50.3-102.6 -21.5 48.6 54.0 25.7 37 38 A F E - L 0 94B 0 -3,-0.3 -4,-2.5 57,-0.2 -3,-1.5 -0.967 50.3-169.7-134.0 138.9 44.9 53.4 26.2 38 39 A V E -KL 32 93B 0 55,-2.0 55,-3.2 -2,-0.4 2,-0.5 -0.986 17.1-142.6-123.4 135.3 41.7 53.2 24.2 39 40 A L E +KL 31 92B 0 -8,-2.9 -8,-2.6 -2,-0.4 53,-0.2 -0.838 36.1 146.4 -97.6 128.6 38.1 53.1 25.7 40 41 A T E -KL 30 91B 0 51,-3.0 51,-2.4 -2,-0.5 2,-0.3 -0.733 51.3 -67.9-142.5-172.2 35.6 50.9 23.9 41 42 A A >> - 0 0 0 -12,-0.5 3,-0.6 49,-0.2 4,-0.5 -0.720 36.7-137.5 -86.2 139.8 32.5 48.7 24.6 42 43 A A H >> S+ 0 0 0 -2,-0.3 4,-2.9 1,-0.2 3,-1.1 0.844 96.2 65.2 -65.0 -35.9 33.2 45.5 26.5 43 44 A H H 34 S+ 0 0 48 1,-0.3 4,-0.2 2,-0.2 -1,-0.2 0.773 99.0 54.5 -65.8 -23.2 31.0 43.2 24.4 44 45 A a H <4 S+ 0 0 12 -3,-0.6 -1,-0.3 1,-0.1 -2,-0.2 0.770 126.9 15.9 -72.7 -29.0 33.3 43.7 21.3 45 46 A V H X< S+ 0 0 1 -3,-1.1 3,-2.1 -4,-0.5 -2,-0.2 0.556 89.7 100.6-127.6 -13.7 36.5 42.6 23.1 46 47 A F T 3< S+ 0 0 56 -4,-2.9 -3,-0.1 1,-0.3 -2,-0.1 0.768 99.2 30.5 -55.5 -32.0 35.8 40.8 26.4 47 48 A D T 3 S+ 0 0 97 -4,-0.2 2,-0.4 -5,-0.2 -1,-0.3 0.114 99.1 104.7-113.7 17.6 36.4 37.3 24.9 48 49 A Q S < S- 0 0 33 -3,-2.1 5,-0.1 -27,-0.0 28,-0.0 -0.875 77.4-113.4-106.6 132.1 39.0 38.3 22.3 49 50 A K > - 0 0 97 -2,-0.4 3,-2.5 1,-0.1 4,-0.5 -0.454 26.0-132.9 -62.1 125.1 42.7 37.6 22.7 50 51 A P G > S+ 0 0 25 0, 0.0 3,-1.7 0, 0.0 23,-0.4 0.828 102.4 63.1 -52.0 -38.6 44.4 41.0 23.0 51 52 A E G 3 S+ 0 0 129 1,-0.3 23,-0.1 23,-0.2 -2,-0.1 0.553 99.5 55.6 -67.0 -9.4 47.1 40.1 20.5 52 53 A T G < S+ 0 0 57 -3,-2.5 -1,-0.3 20,-0.1 2,-0.2 0.605 87.9 99.8 -93.6 -14.8 44.4 39.8 17.8 53 54 A I < - 0 0 0 -3,-1.7 20,-0.8 -4,-0.5 2,-0.4 -0.491 52.4-165.7 -82.8 139.7 43.0 43.3 18.3 54 55 A V E -J 18 0B 22 -36,-2.2 -36,-3.3 -2,-0.2 2,-0.6 -0.987 10.7-148.9-125.0 134.7 43.9 46.3 16.0 55 56 A I E -JM 17 70B 0 15,-2.4 15,-3.2 -2,-0.4 2,-0.5 -0.912 12.0-164.4-101.1 117.0 43.3 50.0 16.6 56 57 A Q E +JM 16 69B 6 -40,-3.0 -40,-2.8 -2,-0.6 2,-0.3 -0.896 20.2 167.6-101.0 127.1 42.7 52.0 13.5 57 58 A Y E +JM 15 68B 8 11,-2.7 11,-3.2 -2,-0.5 -42,-0.1 -0.837 46.0 39.3-138.1 168.4 43.0 55.7 14.0 58 59 A E S S+ 0 0 6 -44,-0.5 2,-0.5 47,-0.5 9,-0.2 0.768 82.8 145.1 62.1 30.8 43.3 59.1 12.1 59 60 A S + 0 0 0 -45,-0.3 -1,-0.2 7,-0.2 3,-0.2 -0.872 39.2 175.4-115.2 123.5 40.7 57.7 9.6 60 61 A T S S+ 0 0 30 5,-0.7 82,-3.3 -2,-0.5 2,-0.3 0.632 92.1 15.9 -92.5 -18.4 38.0 59.6 7.8 61 62 A N B > S-OP 65 141C 5 4,-1.1 4,-2.2 80,-0.3 -1,-0.4 -0.876 74.7-137.9-154.6 122.8 37.1 56.4 5.9 62 63 A L T 4 S+ 0 0 6 78,-2.2 79,-0.1 -2,-0.3 -1,-0.1 0.749 103.9 25.3 -56.2 -28.0 38.3 52.9 7.0 63 64 A W T 4 S+ 0 0 119 74,-0.3 -1,-0.2 77,-0.2 78,-0.0 0.869 129.6 36.1 -95.7 -54.7 39.1 51.9 3.5 64 65 A E T 4 S+ 0 0 138 1,-0.3 -2,-0.2 73,-0.2 3,-0.1 0.730 132.5 23.8 -83.6 -28.6 39.7 55.1 1.5 65 66 A D B < S+O 61 0C 56 -4,-2.2 -4,-1.1 1,-0.1 -5,-0.7 -0.632 75.3 171.3-130.7 73.9 41.5 57.2 4.1 66 67 A P - 0 0 66 0, 0.0 2,-0.2 0, 0.0 -9,-0.2 0.606 13.5-173.4 -69.6 -13.7 42.8 54.4 6.3 67 68 A G - 0 0 37 -9,-0.2 2,-0.3 -11,-0.1 -9,-0.2 -0.394 46.9 -26.6 62.0-122.7 45.0 56.6 8.6 68 69 A K E -M 57 0B 74 -11,-3.2 -11,-2.7 -2,-0.2 2,-0.4 -0.857 51.3-151.5-124.7 159.8 47.1 54.5 11.0 69 70 A S E -M 56 0B 68 -2,-0.3 -13,-0.2 -13,-0.2 -2,-0.0 -0.992 1.6-162.7-136.6 130.1 46.8 51.1 12.6 70 71 A D E +M 55 0B 2 -15,-3.2 -15,-2.4 -2,-0.4 3,-0.1 -0.918 8.3 178.7-112.1 104.4 48.3 49.9 15.9 71 72 A P + 0 0 71 0, 0.0 -17,-0.1 0, 0.0 -1,-0.1 -0.088 55.6 98.1 -93.3 32.4 48.3 46.0 16.2 72 73 A Y + 0 0 122 25,-0.2 24,-2.7 -17,-0.1 25,-0.6 -0.307 38.9 152.6-120.1 48.5 49.9 46.0 19.6 73 74 A V E +N 95 0B 4 -20,-0.8 22,-0.3 -23,-0.4 -20,-0.2 -0.699 12.5 173.8 -76.7 123.5 47.0 45.5 22.1 74 75 A S E + 0 0 39 20,-2.7 2,-0.3 -2,-0.5 -23,-0.2 0.691 57.2 15.7-104.9 -26.7 48.5 43.8 25.1 75 76 A H E -N 94 0B 85 19,-1.1 19,-2.9 -25,-0.2 2,-0.5 -0.997 53.3-146.8-152.5 149.8 45.6 43.7 27.6 76 77 A V E -N 93 0B 24 -2,-0.3 2,-0.5 17,-0.2 17,-0.2 -0.986 18.7-156.7-117.8 119.8 41.9 44.2 27.9 77 78 A Y E -N 92 0B 42 15,-3.1 15,-2.1 -2,-0.5 2,-0.3 -0.880 13.0-175.5-101.2 125.3 40.6 45.7 31.2 78 79 A L E -N 91 0B 69 -2,-0.5 2,-0.4 13,-0.2 13,-0.1 -0.799 21.8-146.8-115.5 156.8 37.0 45.0 32.2 79 80 A S S S- 0 0 21 11,-0.6 11,-0.1 9,-0.4 -37,-0.1 -0.714 76.1 -53.5-124.7 80.0 34.8 46.3 35.1 80 81 A F S S- 0 0 125 -2,-0.4 2,-0.2 1,-0.2 9,-0.0 0.893 75.0-166.1 54.9 46.0 32.5 43.5 36.1 81 82 A Y - 0 0 28 9,-0.1 2,-0.6 1,-0.1 7,-0.2 -0.434 7.6-149.0 -63.5 132.1 31.2 43.0 32.5 82 83 A R B >> -Q 87 0D 109 5,-2.3 4,-2.4 -2,-0.2 5,-0.6 -0.912 6.5-162.1-112.2 108.6 28.0 40.9 32.5 83 84 A Q T 45S+ 0 0 140 -2,-0.6 -1,-0.2 1,-0.2 -2,-0.0 0.860 85.1 52.8 -53.1 -47.5 27.6 38.9 29.3 84 85 A E T 45S+ 0 0 106 1,-0.2 -1,-0.2 2,-0.1 318,-0.0 0.841 127.5 17.2 -63.5 -38.5 23.8 38.1 29.7 85 86 A T T 45S- 0 0 19 -3,-0.4 -1,-0.2 2,-0.1 -2,-0.2 0.538 95.1-124.6-112.6 -13.6 22.6 41.7 30.2 86 87 A M T ><5 + 0 0 33 -4,-2.4 3,-0.6 1,-0.2 2,-0.2 0.767 48.9 166.9 59.8 31.2 25.6 43.7 28.9 87 88 A E B 3 < +Q 82 0D 18 -5,-0.6 -5,-2.3 1,-0.2 -1,-0.2 -0.526 66.1 20.1 -66.4 140.9 25.7 45.6 32.2 88 89 A N T 3 S+ 0 0 18 -7,-0.2 2,-2.0 1,-0.2 -9,-0.4 0.938 78.5 179.9 59.2 51.6 29.1 47.5 32.5 89 90 A D < + 0 0 3 -3,-0.6 2,-0.3 -8,-0.1 123,-0.2 -0.443 40.0 107.4 -85.1 66.4 29.6 47.4 28.7 90 91 A I + 0 0 0 -2,-2.0 -11,-0.6 -49,-0.3 2,-0.3 -0.993 40.9 176.8-146.7 141.7 32.9 49.3 28.9 91 92 A A E -LN 40 78B 0 -51,-2.4 -51,-3.0 -2,-0.3 2,-0.5 -0.998 21.6-140.6-150.2 147.7 36.5 48.2 28.4 92 93 A I E -LN 39 77B 0 -15,-2.1 -15,-3.1 -2,-0.3 2,-0.5 -0.951 15.6-152.5-110.8 127.3 40.0 49.7 28.2 93 94 A L E -LN 38 76B 0 -55,-3.2 -55,-2.0 -2,-0.5 2,-0.4 -0.884 10.7-151.1 -97.8 126.2 42.5 48.4 25.7 94 95 A E E -LN 37 75B 23 -19,-2.9 -20,-2.7 -2,-0.5 -19,-1.1 -0.800 6.6-148.2 -97.4 140.0 46.2 48.7 26.7 95 96 A L E - 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