==== 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 ALPHA-BETA STRUCTURE 12-MAR-99 1QAH . COMPND 2 MOLECULE: PERCHLORIC ACID SOLUBLE PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR K.DJINOVIC CARUGO,T.OKA . 264 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13892.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 175 66.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 5.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 57 21.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.8 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 . 25 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 50 18.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.8 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 2 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 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 PARALLEL BRIDGES PER LADDER . 2 0 0 4 1 1 2 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 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 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 S 0 0 171 0, 0.0 2,-0.6 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -29.1 2.5 -5.5 51.3 2 2 A S - 0 0 126 0, 0.0 2,-0.2 0, 0.0 0, 0.0 -0.962 360.0-155.9 -98.8 117.8 3.9 -4.0 54.6 3 3 A I - 0 0 100 -2,-0.6 2,-0.2 1,-0.1 25,-0.0 -0.574 21.3 -97.6 -96.3 152.9 3.1 -0.3 54.3 4 4 A I + 0 0 111 -2,-0.2 23,-3.4 22,-0.1 2,-0.4 -0.449 40.0 179.9 -65.2 132.5 4.9 2.6 56.0 5 5 A R E +A 26 0A 191 21,-0.2 2,-0.4 -2,-0.2 21,-0.2 -0.991 9.4 172.7-134.1 121.2 3.1 3.7 59.2 6 6 A K E -A 25 0A 107 19,-2.8 19,-2.9 -2,-0.4 2,-0.5 -0.980 34.7-132.7-137.8 139.0 4.7 6.6 61.1 7 7 A V E -A 24 0A 79 -2,-0.4 2,-0.4 17,-0.2 17,-0.2 -0.735 31.1-143.1 -77.0 122.2 3.9 8.8 64.0 8 8 A I E +A 23 0A 2 15,-2.8 15,-0.9 -2,-0.5 14,-0.5 -0.799 29.6 166.6 -88.6 138.8 4.8 12.3 62.8 9 9 A S + 0 0 31 -2,-0.4 2,-0.3 58,-0.2 242,-0.1 -0.948 8.3 167.0-153.6 133.3 6.3 14.5 65.6 10 10 A T > - 0 0 17 -2,-0.3 3,-1.1 240,-0.2 242,-0.1 -0.996 34.2-143.4-148.4 137.2 8.1 17.8 65.5 11 11 A S T 3 S+ 0 0 21 -2,-0.3 4,-0.1 1,-0.2 -1,-0.1 0.572 95.3 80.3 -77.4 -6.3 9.0 20.2 68.2 12 12 A K T 3 S+ 0 0 112 51,-0.1 -1,-0.2 2,-0.1 51,-0.1 0.658 95.8 51.7 -66.7 -20.3 8.2 23.0 65.8 13 13 A A S < S- 0 0 1 -3,-1.1 26,-0.1 50,-0.1 -3,-0.1 -0.835 107.3 -74.3-111.9 168.8 4.5 22.5 66.6 14 14 A P - 0 0 8 0, 0.0 -4,-0.2 0, 0.0 -1,-0.1 -0.124 51.7-105.2 -59.3 142.0 2.8 22.3 70.0 15 15 A A - 0 0 11 25,-0.4 2,-0.1 1,-0.1 -4,-0.0 -0.364 43.5 -96.1 -55.5 158.0 3.2 19.2 72.2 16 16 A A - 0 0 20 163,-0.1 165,-2.8 1,-0.1 166,-0.3 -0.485 32.6-166.3 -71.6 139.8 0.2 16.8 72.3 17 17 A I S S+ 0 0 80 163,-0.2 2,-0.3 -2,-0.1 -1,-0.1 0.024 70.2 22.0-114.0 15.0 -1.9 17.6 75.4 18 18 A G S S- 0 0 29 2,-0.2 2,-1.7 0, 0.0 163,-0.1 -0.893 110.6 -54.1-157.7-169.6 -3.9 14.4 75.2 19 19 A A S S+ 0 0 111 -2,-0.3 2,-0.3 161,-0.1 160,-0.0 -0.567 94.9 95.2 -86.8 76.0 -3.8 10.9 73.7 20 20 A Y - 0 0 93 -2,-1.7 2,-0.3 13,-0.0 -2,-0.2 -0.976 67.9-120.7-157.0 155.4 -3.1 11.7 70.1 21 21 A S - 0 0 40 -2,-0.3 12,-0.2 1,-0.1 3,-0.1 -0.806 30.3-119.3 -91.3 151.9 -0.3 12.0 67.7 22 22 A Q S S- 0 0 14 -14,-0.5 11,-2.7 -2,-0.3 2,-0.3 0.854 92.7 -24.7 -56.9 -46.0 0.3 15.3 65.9 23 23 A A E -AB 8 32A 1 -15,-0.9 -15,-2.8 9,-0.2 2,-0.4 -0.949 60.3-133.8-155.3 166.5 -0.3 13.4 62.7 24 24 A V E -AB 7 31A 44 7,-2.1 7,-2.7 -2,-0.3 2,-0.5 -0.981 10.7-153.6-127.0 129.9 -0.1 9.8 61.4 25 25 A L E +AB 6 30A 10 -19,-2.9 -19,-2.8 -2,-0.4 2,-0.4 -0.868 17.4 177.2 -98.7 126.3 1.5 8.9 58.0 26 26 A V E > -AB 5 29A 41 3,-2.8 3,-2.3 -2,-0.5 2,-0.6 -0.926 66.5 -41.0-140.1 114.4 0.1 5.7 56.6 27 27 A D T 3 S- 0 0 87 -23,-3.4 -2,-0.0 -2,-0.4 0, 0.0 -0.630 125.8 -34.0 60.8-103.3 1.4 4.6 53.2 28 28 A R T 3 S+ 0 0 100 -2,-0.6 100,-3.2 -3,-0.1 2,-0.4 0.456 118.4 98.1-121.9 10.4 1.4 8.0 51.6 29 29 A T E < -BC 26 127A 39 -3,-2.3 -3,-2.8 98,-0.2 2,-0.6 -0.749 55.2-157.2-100.7 136.8 -1.6 9.6 53.4 30 30 A I E -BC 25 126A 0 96,-3.2 96,-2.4 -2,-0.4 2,-0.7 -0.952 1.2-161.0-111.8 124.8 -1.1 11.8 56.4 31 31 A Y E -BC 24 125A 131 -7,-2.7 -7,-2.1 -2,-0.6 2,-0.3 -0.872 16.2-156.1-102.4 121.8 -4.0 12.3 58.8 32 32 A V E -BC 23 124A 10 92,-2.4 92,-0.9 -2,-0.7 -9,-0.2 -0.730 15.3-117.5-102.2 131.4 -3.4 15.5 60.8 33 33 A S E - 0 0 31 -11,-2.7 89,-0.1 -2,-0.3 91,-0.1 -0.299 50.1 -76.0 -57.8 162.0 -4.9 16.1 64.3 34 34 A G E - 0 0 27 89,-0.1 2,-0.5 1,-0.1 89,-0.2 -0.374 54.5-143.0 -61.1 113.7 -7.3 19.0 64.7 35 35 A Q E - C 0 122A 13 87,-2.2 87,-2.1 -3,-0.1 2,-0.3 -0.827 20.9-178.4 -86.9 128.4 -5.0 22.0 64.9 36 36 A I - 0 0 10 -2,-0.5 2,-2.0 85,-0.2 85,-0.1 -0.790 45.2 -93.4-117.9 167.5 -5.8 24.9 67.2 37 37 A G + 0 0 0 83,-0.5 9,-3.1 -2,-0.3 2,-0.2 -0.175 66.9 151.0 -79.4 54.7 -3.8 28.1 67.6 38 38 A M B -F 45 0B 14 -2,-2.0 7,-0.3 7,-0.3 6,-0.1 -0.582 52.3-113.2 -81.6 141.3 -1.6 27.0 70.4 39 39 A D > - 0 0 53 5,-2.8 4,-2.3 -2,-0.2 -26,-0.1 -0.605 22.0-135.1 -73.3 133.7 1.9 28.5 70.6 40 40 A P T 4 S+ 0 0 28 0, 0.0 -25,-0.4 0, 0.0 -1,-0.1 0.805 99.3 44.6 -58.9 -43.3 4.5 25.7 70.0 41 41 A S T 4 S+ 0 0 69 1,-0.1 142,-0.3 -27,-0.1 -26,-0.1 0.963 129.6 21.1 -69.3 -53.4 6.8 26.7 72.8 42 42 A S T 4 S- 0 0 75 2,-0.1 -1,-0.1 140,-0.1 3,-0.1 0.555 88.5-138.4 -90.9 -20.7 4.2 27.2 75.6 43 43 A G < + 0 0 24 -4,-2.3 2,-0.2 1,-0.2 3,-0.1 0.333 62.2 116.1 75.5 -10.1 1.2 25.3 74.4 44 44 A Q S S- 0 0 153 1,-0.1 -5,-2.8 -6,-0.1 -1,-0.2 -0.579 78.0 -83.1 -86.7 165.7 -1.5 27.8 75.4 45 45 A L B -F 38 0B 45 -7,-0.3 -7,-0.3 -2,-0.2 -1,-0.1 -0.252 44.4-112.0 -61.7 140.4 -3.6 29.6 72.8 46 46 A V - 0 0 24 -9,-3.1 3,-0.4 1,-0.1 7,-0.1 -0.480 40.8-119.0 -66.9 143.5 -2.1 32.6 71.1 47 47 A P S S+ 0 0 111 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 -0.376 82.9 71.6 -77.9 168.2 -4.1 35.7 72.3 48 48 A G S S- 0 0 70 4,-0.1 3,-0.3 -2,-0.1 4,-0.3 0.380 91.9-105.2 110.2 -9.1 -6.0 37.9 70.0 49 49 A G >> - 0 0 28 -3,-0.4 4,-2.7 1,-0.2 3,-0.5 -0.313 69.8 -18.5 88.1-166.6 -9.0 35.8 69.0 50 50 A V H 3> S+ 0 0 19 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.757 127.6 52.8 -57.0 -41.9 -9.9 34.0 65.8 51 51 A A H 3> S+ 0 0 30 -3,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.925 116.3 39.3 -63.7 -45.0 -7.6 35.7 63.3 52 52 A E H <> S+ 0 0 99 -3,-0.5 4,-2.2 -4,-0.3 -2,-0.2 0.933 117.2 50.6 -70.0 -40.0 -4.4 35.2 65.4 53 53 A E H X S+ 0 0 12 -4,-2.7 4,-3.1 2,-0.2 5,-0.2 0.898 109.7 51.3 -62.3 -42.3 -5.6 31.6 66.3 54 54 A A H X S+ 0 0 0 -4,-3.2 4,-2.1 1,-0.2 5,-0.2 0.931 110.2 48.2 -61.5 -49.2 -6.2 30.8 62.7 55 55 A K H X S+ 0 0 66 -4,-2.0 4,-1.9 -5,-0.2 -1,-0.2 0.883 113.6 47.1 -54.7 -43.9 -2.8 31.9 61.6 56 56 A Q H X S+ 0 0 25 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.865 110.7 52.0 -67.8 -39.9 -1.1 30.0 64.5 57 57 A A H X S+ 0 0 0 -4,-3.1 4,-2.6 1,-0.2 -1,-0.2 0.872 111.6 46.3 -61.4 -44.5 -3.1 26.8 63.7 58 58 A L H X S+ 0 0 2 -4,-2.1 4,-2.8 -5,-0.2 -1,-0.2 0.882 111.9 51.1 -63.4 -38.6 -2.1 26.9 60.0 59 59 A K H X S+ 0 0 116 -4,-1.9 4,-1.8 -5,-0.2 -2,-0.2 0.945 110.3 50.1 -63.7 -40.4 1.5 27.6 60.9 60 60 A N H X S+ 0 0 1 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.923 110.5 50.2 -62.9 -41.6 1.2 24.5 63.3 61 61 A L H X S+ 0 0 0 -4,-2.6 4,-3.1 1,-0.2 5,-0.3 0.947 108.1 53.3 -59.9 -46.6 -0.2 22.5 60.4 62 62 A G H X S+ 0 0 12 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.875 109.4 47.8 -50.7 -49.7 2.6 23.6 58.1 63 63 A E H X S+ 0 0 59 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.868 111.0 50.5 -68.8 -39.5 5.3 22.5 60.5 64 64 A I H X S+ 0 0 3 -4,-2.2 4,-0.7 2,-0.2 3,-0.3 0.971 112.5 47.2 -61.0 -44.2 3.6 19.1 61.1 65 65 A L H ><>S+ 0 0 0 -4,-3.1 5,-2.9 1,-0.2 3,-1.4 0.921 108.1 56.6 -59.6 -41.9 3.4 18.6 57.2 66 66 A K H ><5S+ 0 0 142 -4,-2.5 3,-1.4 1,-0.3 -1,-0.2 0.899 103.4 53.4 -55.9 -46.1 7.1 19.7 57.0 67 67 A A H 3<5S+ 0 0 36 -4,-1.9 -1,-0.3 -3,-0.3 -2,-0.2 0.657 108.1 51.3 -62.9 -17.9 8.0 16.9 59.5 68 68 A A T <<5S- 0 0 6 -3,-1.4 -1,-0.3 -4,-0.7 -2,-0.2 0.008 125.4-101.6-105.5 19.4 6.2 14.4 57.1 69 69 A G T < 5S+ 0 0 70 -3,-1.4 60,-0.2 1,-0.2 2,-0.2 0.703 89.6 102.1 65.9 30.4 8.1 15.6 54.1 70 70 A C < - 0 0 10 -5,-2.9 2,-0.2 -6,-0.2 -1,-0.2 -0.721 50.2-159.4-127.0-178.9 5.2 17.8 52.8 71 71 A D > - 0 0 82 -2,-0.2 3,-1.8 -3,-0.1 4,-0.2 -0.714 53.6 -69.0-144.5-162.4 4.0 21.3 52.6 72 72 A F G > S+ 0 0 43 1,-0.3 3,-1.5 -2,-0.2 26,-0.1 0.735 124.3 68.0 -70.0 -16.9 0.6 23.0 52.1 73 73 A T G 3 S+ 0 0 107 1,-0.3 -1,-0.3 27,-0.1 29,-0.1 0.672 92.8 61.6 -67.0 -23.0 0.5 21.8 48.5 74 74 A N G < S+ 0 0 13 -3,-1.8 53,-2.2 52,-0.0 2,-0.3 0.521 78.2 108.2 -78.3 -9.4 0.2 18.3 49.8 75 75 A V E < +D 126 0A 5 -3,-1.5 51,-0.3 51,-0.2 3,-0.1 -0.536 36.4 170.4 -73.6 139.3 -3.2 19.0 51.6 76 76 A V E + 0 0 67 49,-2.7 29,-3.2 1,-0.3 2,-0.3 0.693 65.6 19.0-120.4 -22.9 -6.1 17.4 49.8 77 77 A K E -De 125 105A 71 48,-1.7 48,-2.6 27,-0.3 -1,-0.3 -0.994 60.4-177.5-154.1 132.6 -8.9 18.0 52.3 78 78 A T E -De 124 106A 0 27,-2.1 29,-1.6 -2,-0.3 2,-0.4 -0.949 14.5-151.6-128.6 156.7 -9.4 20.3 55.3 79 79 A T E -De 123 107A 15 44,-1.8 44,-2.5 -2,-0.3 2,-0.7 -0.995 10.2-158.2-125.2 117.0 -12.2 20.8 57.9 80 80 A V E -De 122 108A 1 27,-3.3 29,-1.9 -2,-0.4 2,-0.6 -0.901 8.3-168.6-102.6 112.7 -12.6 24.3 59.3 81 81 A L E -De 121 109A 12 40,-3.0 40,-2.4 -2,-0.7 2,-0.4 -0.893 10.2-167.0-103.7 124.3 -14.4 24.1 62.7 82 82 A L E -De 120 110A 0 27,-2.9 29,-2.5 -2,-0.6 3,-0.2 -0.876 32.2-153.5-118.3 143.7 -15.5 27.5 63.9 83 83 A A S S+ 0 0 14 36,-2.2 2,-0.4 -2,-0.4 37,-0.1 0.770 99.3 30.5 -78.4 -23.1 -16.8 28.8 67.3 84 84 A D > - 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