==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTEIN BINDING 08-SEP-00 1GD3 . COMPND 2 MOLECULE: CYSTATIN A; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR N.SHIMBA,E.KARIYA,S.TATE,H.KAJI,M.KAINOSHO . 98 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6613.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 50 51.0 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 . 21 21.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 7 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 5 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 13 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 2.0 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 1 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 . 1 2 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 M 0 0 228 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-162.4 57.6 -7.9 -15.5 2 2 A I - 0 0 135 1,-0.1 0, 0.0 2,-0.0 0, 0.0 -0.445 360.0-111.4 -78.8 155.6 59.9 -7.1 -12.6 3 3 A P - 0 0 118 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.036 18.0-131.8 -73.6-178.0 63.6 -7.6 -12.8 4 4 A G S S+ 0 0 87 2,-0.1 2,-0.3 0, 0.0 -2,-0.0 -0.565 72.0 21.1-139.9 74.8 65.6 -10.2 -10.9 5 5 A G S S- 0 0 50 -2,-0.2 0, 0.0 91,-0.0 0, 0.0 -0.986 97.2 -38.9 159.9-164.7 68.6 -8.8 -9.2 6 6 A L - 0 0 30 -2,-0.3 -2,-0.1 1,-0.1 40,-0.1 -0.120 66.7 -91.7 -78.8-176.3 70.0 -5.4 -7.9 7 7 A S - 0 0 59 38,-0.5 -1,-0.1 1,-0.1 39,-0.0 0.177 55.1 -71.3 -78.7-156.6 69.6 -2.1 -9.7 8 8 A E - 0 0 151 37,-0.0 2,-0.2 1,-0.0 37,-0.1 0.472 51.3-110.6 -74.4-137.2 72.0 -0.6 -12.2 9 9 A A + 0 0 54 35,-0.1 35,-0.2 -3,-0.1 -1,-0.0 -0.785 32.5 176.9-166.6 117.3 75.4 0.9 -11.2 10 10 A K E -A 43 0A 114 33,-1.9 33,-2.5 -2,-0.2 31,-0.1 -0.776 37.1 -88.6-121.1 169.2 76.6 4.5 -11.2 11 11 A P E -A 42 0A 88 0, 0.0 2,-0.6 0, 0.0 31,-0.4 -0.195 44.9-111.2 -69.2 164.6 79.8 6.3 -10.2 12 12 A A - 0 0 19 29,-1.1 43,-0.0 28,-0.2 28,-0.0 -0.876 30.3-166.6-106.1 123.6 80.2 7.5 -6.5 13 13 A T > - 0 0 79 -2,-0.6 4,-1.7 1,-0.1 27,-0.2 -0.177 43.7 -89.1 -89.7-170.4 80.1 11.2 -5.8 14 14 A P H > S+ 0 0 98 0, 0.0 4,-1.2 0, 0.0 5,-0.1 0.882 127.8 52.6 -70.7 -36.5 81.2 12.8 -2.5 15 15 A E H >> S+ 0 0 127 2,-0.2 4,-2.7 1,-0.2 3,-0.7 0.966 111.0 45.5 -62.6 -50.5 77.6 12.5 -1.1 16 16 A I H 3> S+ 0 0 7 1,-0.3 4,-1.4 2,-0.2 -1,-0.2 0.880 111.9 53.1 -61.5 -34.5 77.5 8.8 -1.9 17 17 A Q H 3X S+ 0 0 32 -4,-1.7 4,-1.8 1,-0.2 -1,-0.3 0.760 108.1 51.5 -73.5 -19.4 80.9 8.5 -0.4 18 18 A E H X S+ 0 0 29 -4,-2.7 4,-1.1 1,-0.2 3,-0.5 0.929 107.7 43.1 -47.0 -45.7 76.7 7.8 2.8 20 20 A V H >X S+ 0 0 0 -4,-1.4 4,-4.9 1,-0.3 3,-0.9 0.982 109.9 54.5 -66.1 -50.8 79.4 5.2 3.5 21 21 A D H 3< S+ 0 0 60 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.690 99.9 68.0 -55.3 -14.1 81.1 7.5 5.9 22 22 A K H << S- 0 0 98 -4,-1.7 4,-0.3 -3,-0.5 -1,-0.3 0.953 128.0 -0.9 -73.5 -48.9 77.7 7.6 7.6 23 23 A V H S+ 0 0 60 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.967 117.1 39.1 -67.9 -45.9 82.9 4.6 10.3 26 26 A Q H > S+ 0 0 109 -4,-0.3 4,-0.7 2,-0.2 -2,-0.2 0.928 111.7 59.1 -66.3 -39.1 80.6 2.7 12.5 27 27 A L H >X S+ 0 0 0 -4,-3.5 4,-1.9 1,-0.2 3,-1.5 0.971 108.1 45.7 -51.4 -52.1 81.1 -0.2 10.1 28 28 A E H 3<>S+ 0 0 35 -4,-3.3 5,-0.9 1,-0.3 -1,-0.2 0.932 117.6 42.3 -56.6 -46.9 84.7 0.0 10.9 29 29 A E H 3<5S+ 0 0 170 -4,-2.6 -1,-0.3 3,-0.2 -2,-0.2 0.389 109.5 64.6 -83.3 7.8 84.0 0.3 14.6 30 30 A K H <<5S+ 0 0 138 -3,-1.5 -2,-0.2 -4,-0.7 -3,-0.2 0.897 115.7 21.9 -94.6 -54.4 81.4 -2.4 14.3 31 31 A T T <5S- 0 0 47 -4,-1.9 -2,-0.1 2,-0.2 3,-0.1 0.033 107.0-118.3 -97.8 26.5 83.4 -5.5 13.3 32 32 A N T 5S+ 0 0 129 -6,-0.2 2,-0.5 1,-0.2 -3,-0.2 0.834 72.4 143.5 40.6 31.8 86.4 -3.7 14.8 33 33 A E < - 0 0 87 -5,-0.9 2,-0.3 -6,-0.5 -3,-0.2 -0.851 37.2-160.1-104.3 134.6 87.6 -3.9 11.2 34 34 A T - 0 0 107 -2,-0.5 -5,-0.0 1,-0.1 -7,-0.0 -0.800 10.3-174.2-110.4 153.6 89.7 -1.2 9.6 35 35 A Y - 0 0 45 -2,-0.3 -1,-0.1 52,-0.0 53,-0.0 0.784 43.5-104.5-110.7 -62.5 90.1 -0.6 5.8 36 36 A G - 0 0 61 2,-0.1 -2,-0.0 24,-0.0 24,-0.0 0.530 67.5 -60.9 138.0 34.3 92.6 2.2 5.1 37 37 A K - 0 0 174 1,-0.1 23,-0.2 22,-0.1 2,-0.2 0.985 69.8-169.0 63.6 81.7 90.6 5.3 4.1 38 38 A L - 0 0 10 21,-0.1 2,-0.3 22,-0.1 21,-0.2 -0.587 11.0-142.6 -99.1 165.1 88.8 4.3 0.9 39 39 A E - 0 0 88 19,-0.2 19,-4.4 -2,-0.2 2,-0.4 -0.924 24.0-106.9-125.2 149.9 86.9 6.5 -1.6 40 40 A A E + B 0 57A 8 -2,-0.3 17,-0.3 17,-0.3 -28,-0.2 -0.604 36.0 167.6 -79.9 132.0 83.7 5.7 -3.5 41 41 A V E S- 0 0 33 15,-3.6 -29,-1.1 -2,-0.4 2,-0.3 0.642 70.2 -8.8-111.6 -25.7 84.0 5.0 -7.2 42 42 A Q E +AB 11 56A 70 14,-1.6 14,-3.3 -31,-0.4 -1,-0.4 -0.955 64.1 163.5-159.1 175.2 80.5 3.6 -7.8 43 43 A Y E -AB 10 55A 37 -33,-2.5 -33,-1.9 12,-0.3 12,-0.3 -0.984 11.6-163.2-177.4-173.3 77.4 2.5 -5.9 44 44 A K E - B 0 54A 28 10,-2.1 10,-1.0 -2,-0.3 2,-0.3 -0.773 22.1-109.5-161.2-151.7 73.6 1.7 -6.1 45 45 A T E - B 0 53A 58 8,-0.3 -38,-0.5 -2,-0.2 8,-0.3 -0.982 18.7-155.9-158.4 147.4 70.6 1.3 -3.9 46 46 A Q - 0 0 69 6,-4.4 2,-0.2 -2,-0.3 8,-0.1 -0.107 16.6-123.2-107.9-149.8 68.5 -1.7 -2.9 47 47 A V + 0 0 109 4,-0.1 4,-0.2 -2,-0.1 2,-0.1 -0.721 48.7 114.1-164.7 109.5 64.8 -2.0 -1.7 48 48 A V S S- 0 0 88 2,-0.5 2,-0.7 -2,-0.2 0, 0.0 -0.324 86.0 -24.1-143.5-130.5 63.5 -3.4 1.6 49 49 A A S S- 0 0 72 -2,-0.1 2,-0.3 24,-0.0 -2,-0.0 -0.099 138.3 -14.5 -84.4 39.6 61.7 -2.1 4.7 50 50 A G S S- 0 0 23 -2,-0.7 -2,-0.5 2,-0.0 2,-0.3 -0.847 109.7 -57.2 165.0-120.8 63.2 1.3 3.7 51 51 A T B -D 71 0B 52 20,-0.9 20,-1.8 -2,-0.3 2,-0.3 -0.791 42.9-160.2-157.5 109.1 66.1 1.8 1.3 52 52 A N - 0 0 10 -2,-0.3 -6,-4.4 18,-0.2 2,-0.3 -0.642 11.8-148.9 -90.6 149.4 69.5 0.1 1.5 53 53 A Y E -B 45 0A 40 16,-0.3 16,-1.0 -8,-0.3 2,-0.4 -0.811 6.4-156.2-115.6 160.1 72.5 1.5 -0.3 54 54 A Y E -BC 44 68A 4 -10,-1.0 -10,-2.1 -2,-0.3 2,-0.5 -0.946 12.7-172.9-134.6 110.4 75.6 -0.2 -1.8 55 55 A I E -BC 43 67A 0 12,-2.3 12,-2.0 -2,-0.4 2,-0.8 -0.906 15.6-148.0-112.3 126.2 78.8 1.9 -2.3 56 56 A K E -BC 42 66A 15 -14,-3.3 -15,-3.6 -2,-0.5 -14,-1.6 -0.751 23.5-171.3 -88.0 113.0 81.9 0.6 -4.1 57 57 A V E -BC 40 65A 0 -2,-0.8 8,-1.9 8,-0.5 -17,-0.3 -0.839 17.6-129.1-108.0 145.5 84.9 2.2 -2.5 58 58 A R E - C 0 64A 59 -19,-4.4 6,-0.4 -2,-0.4 -19,-0.2 -0.199 13.6-154.5 -78.2 177.7 88.5 2.1 -3.7 59 59 A A S S- 0 0 20 4,-2.2 5,-0.2 -21,-0.2 -21,-0.1 -0.244 75.0 -4.8-154.8 62.5 91.3 1.0 -1.4 60 60 A G S S- 0 0 47 -23,-0.2 -22,-0.1 3,-0.2 4,-0.1 0.623 112.9 -72.9 122.9 30.0 94.7 2.3 -2.3 61 61 A D S S+ 0 0 119 1,-0.2 3,-0.1 2,-0.1 -23,-0.0 0.708 138.3 38.1 60.6 16.2 94.2 4.1 -5.6 62 62 A N S S+ 0 0 133 1,-0.2 -1,-0.2 0, 0.0 -2,-0.1 0.369 99.7 71.0-161.2 -34.1 93.8 0.6 -7.1 63 63 A K - 0 0 117 -4,-0.1 -4,-2.2 1,-0.0 2,-0.3 -0.301 63.7-154.6 -87.4 178.7 92.0 -1.8 -4.7 64 64 A Y E -C 58 0A 45 25,-0.4 25,-0.5 -6,-0.4 -6,-0.3 -0.878 13.6-169.1-145.9 179.9 88.3 -1.6 -3.9 65 65 A L E -C 57 0A 2 -8,-1.9 -8,-0.5 -2,-0.3 2,-0.3 -0.902 13.0-143.7-156.6-177.0 85.5 -2.4 -1.4 66 66 A H E +C 56 0A 10 20,-1.0 20,-0.5 -10,-0.3 2,-0.3 -0.799 24.7 170.8-160.8 110.3 81.7 -2.5 -1.1 67 67 A L E -C 55 0A 0 -12,-2.0 -12,-2.3 18,-0.3 18,-0.2 -0.804 24.8-114.5-128.0 168.9 79.8 -1.5 2.0 68 68 A K E -C 54 0A 12 -2,-0.3 -14,-0.2 -14,-0.2 -45,-0.2 -0.571 18.2-179.4 -99.0 166.2 76.3 -0.8 3.1 69 69 A V - 0 0 0 -16,-1.0 -16,-0.3 -2,-0.2 2,-0.2 -0.513 16.8-169.3-160.1 76.9 74.3 2.2 4.3 70 70 A F E - E 0 81B 32 11,-3.6 11,-1.7 -18,-0.2 2,-0.6 -0.538 7.9-156.5 -77.7 138.7 70.7 1.2 5.1 71 71 A K E -DE 51 80B 99 -20,-1.8 -20,-0.9 -2,-0.2 9,-0.2 -0.848 11.8-173.3-116.7 96.5 68.3 4.1 5.8 72 72 A S - 0 0 7 7,-1.1 6,-0.1 -2,-0.6 -1,-0.1 0.674 37.7 -75.0 -58.3-128.5 65.3 2.9 7.9 73 73 A L > > - 0 0 78 1,-0.1 5,-1.5 -23,-0.1 3,-0.8 -0.915 24.4-117.8-136.9 164.3 62.4 5.3 8.4 74 74 A P T 3 5S+ 0 0 113 0, 0.0 4,-0.3 0, 0.0 5,-0.1 0.926 108.5 64.6 -67.2 -47.9 61.8 8.5 10.5 75 75 A G T 3 5S+ 0 0 69 2,-0.1 -3,-0.0 3,-0.1 0, 0.0 0.617 125.9 5.0 -54.8 -9.7 58.9 7.0 12.4 76 76 A Q T < 5S- 0 0 164 -3,-0.8 3,-0.1 3,-0.0 -1,-0.1 0.375 137.8 -11.9-138.2 -83.4 61.4 4.5 13.9 77 77 A N T 5 + 0 0 64 -4,-0.2 -5,-0.5 1,-0.1 -2,-0.1 -0.170 58.9 168.1-125.3 43.5 65.2 4.5 13.4 78 78 A E < + 0 0 92 -5,-1.5 -6,-0.2 -4,-0.3 -1,-0.1 0.739 51.7 102.1 -23.8 -41.0 65.6 7.0 10.5 79 79 A D S S- 0 0 95 -6,-0.2 -7,-1.1 -3,-0.1 2,-0.1 0.133 83.5 -99.0 -42.0 169.0 69.3 6.8 11.3 80 80 A L E -E 71 0B 42 -9,-0.2 2,-0.3 -58,-0.1 -9,-0.2 -0.418 35.5-167.8 -92.9 172.4 71.4 4.7 9.0 81 81 A V E -E 70 0B 63 -11,-1.7 -11,-3.6 -2,-0.1 2,-0.6 -0.963 23.8-118.4-160.4 140.0 72.7 1.1 9.5 82 82 A L + 0 0 32 -2,-0.3 3,-0.1 -13,-0.2 -13,-0.1 -0.696 23.4 179.9 -84.8 122.0 75.2 -1.3 7.8 83 83 A T - 0 0 76 -2,-0.6 2,-0.2 1,-0.3 -1,-0.2 0.683 67.7 -37.3 -93.3 -18.6 73.6 -4.4 6.4 84 84 A G - 0 0 15 2,-0.0 -1,-0.3 14,-0.0 2,-0.2 -0.771 59.8-165.8 165.5 147.3 76.8 -5.9 5.0 85 85 A Y - 0 0 54 -18,-0.2 -18,-0.3 -2,-0.2 2,-0.3 -0.600 10.0-132.2-136.8-162.6 80.0 -4.8 3.4 86 86 A Q - 0 0 6 -20,-0.5 -20,-1.0 -2,-0.2 -2,-0.0 -0.990 6.7-158.5-154.0 158.6 83.1 -6.0 1.5 87 87 A V S S- 0 0 62 -2,-0.3 2,-3.7 -22,-0.2 -30,-0.1 0.199 74.0 -6.2-112.9-127.0 86.9 -5.5 1.5 88 88 A D S S+ 0 0 96 -23,-0.1 -23,-0.2 -25,-0.1 -30,-0.0 -0.121 86.3 152.1 -67.4 51.9 89.5 -6.0 -1.2 89 89 A K - 0 0 75 -2,-3.7 -25,-0.4 -25,-0.5 2,-0.2 0.217 37.2-121.5 -64.7-159.3 86.9 -7.5 -3.5 90 90 A N - 0 0 106 4,-0.1 3,-0.4 -27,-0.1 -1,-0.1 -0.676 19.9 -97.9-135.3-168.7 87.4 -7.1 -7.3 91 91 A K S S+ 0 0 164 -2,-0.2 -1,-0.1 1,-0.2 -2,-0.0 0.838 120.7 46.3 -85.3 -34.1 85.7 -5.6 -10.4 92 92 A D S S+ 0 0 161 2,-0.0 -1,-0.2 -3,-0.0 2,-0.0 0.084 90.6 119.0 -94.9 25.5 84.2 -8.8 -11.6 93 93 A D - 0 0 70 -3,-0.4 2,-0.2 1,-0.1 -4,-0.0 -0.244 66.1-106.1 -81.9 176.7 82.9 -9.7 -8.1 94 94 A E - 0 0 154 1,-0.1 -4,-0.1 2,-0.0 -1,-0.1 -0.657 26.0-177.1-102.6 161.3 79.2 -10.2 -7.2 95 95 A L + 0 0 34 -2,-0.2 3,-0.3 -41,-0.0 -1,-0.1 0.607 61.9 67.6-127.3 -31.0 77.0 -7.8 -5.2 96 96 A T S S+ 0 0 62 1,-0.2 -2,-0.0 -90,-0.0 -91,-0.0 -0.128 87.5 42.9 -82.2-174.4 73.6 -9.5 -4.7 97 97 A G 0 0 89 1,-0.2 -1,-0.2 -3,-0.0 -3,-0.0 0.866 360.0 360.0 45.1 34.8 72.9 -12.6 -2.7 98 98 A F 0 0 118 -3,-0.3 -1,-0.2 -14,-0.0 -3,-0.0 -0.997 360.0 360.0-135.1 360.0 75.2 -10.9 -0.1