==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER UNKNOWN FUNCTION 28-OCT-11 3UE7 . COMPND 2 MOLECULE: D-CRAMBIN; . SOURCE 2 SYNTHETIC: YES; . AUTHOR K.MANDAL,B.L.PENTELUTE,D.BANG,Z.P.GATES,V.Y.TORBEEV,S.B.H.KE . 92 2 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5362.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 55 59.8 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 . 8 8.7 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 . 0 0.0 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 . 3 3.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 7 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 31 33.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 4.3 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 2 0 0 1 1 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 . 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 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 X 0 0 66 0, 0.0 34,-2.6 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0-143.5 9.4 -3.5 -1.8 2 2 A X E +A 34 0A 27 32,-0.2 2,-0.4 36,-0.1 32,-0.2 -0.830 360.0 168.9 103.2-138.6 8.1 -2.1 1.4 3 3 A X E +A 33 0A 0 30,-2.9 30,-2.9 -2,-0.4 2,-0.3 -0.971 3.7 165.9 135.8-114.3 4.4 -1.6 1.9 4 4 A X + 0 0 0 42,-2.7 42,-2.3 -2,-0.4 28,-0.1 -0.788 23.3 140.7 112.1-147.3 2.9 -0.8 5.3 5 5 A X S S- 0 0 23 -2,-0.3 2,-0.3 39,-0.2 40,-0.2 0.639 85.1 -10.6 77.1 15.0 -0.6 0.5 6.2 6 6 A X S > S+ 0 0 14 38,-0.1 4,-2.1 1,-0.1 5,-0.1 -0.971 75.1 107.6 156.4-162.7 -0.9 -1.7 9.3 7 7 A X H > S- 0 0 128 -2,-0.3 4,-2.3 2,-0.2 5,-0.1 0.867 120.0 -51.3 64.2 39.2 0.7 -4.6 11.2 8 8 A X H > S- 0 0 48 67,-0.4 4,-2.6 2,-0.2 5,-0.2 0.915 108.2 -51.5 65.8 42.0 2.0 -2.3 13.9 9 9 A X H > S- 0 0 2 67,-0.3 4,-2.5 1,-0.2 -2,-0.2 0.911 109.8 -51.7 59.8 40.1 3.5 0.0 11.2 10 10 A X H X S- 0 0 47 -4,-2.1 4,-2.9 2,-0.2 5,-0.2 0.916 108.7 -49.7 59.3 46.2 5.2 -3.1 9.7 11 11 A X H X S- 0 0 74 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.944 114.0 -45.1 59.4 46.3 6.6 -4.0 13.1 12 12 A X H X S- 0 0 39 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.865 113.1 -50.7 65.4 36.6 8.0 -0.5 13.7 13 13 A X H X S- 0 0 3 -4,-2.5 4,-2.5 -5,-0.2 -2,-0.2 0.946 111.5 -47.2 65.7 47.5 9.3 -0.4 10.1 14 14 A X H X S- 0 0 83 -4,-2.9 4,-1.7 1,-0.2 -2,-0.2 0.889 111.3 -51.8 62.5 38.8 11.1 -3.7 10.5 15 15 A X H X S- 0 0 58 -4,-2.4 4,-0.5 -5,-0.2 -1,-0.2 0.925 111.2 -48.1 63.0 43.3 12.5 -2.6 13.9 16 16 A X H <>S- 0 0 25 -4,-2.3 5,-0.7 1,-0.2 3,-0.4 0.894 115.2 -44.9 60.7 40.9 13.8 0.6 12.2 17 17 A X H ><5S- 0 0 83 -4,-2.5 3,-2.1 1,-0.2 -1,-0.2 0.743 90.5 -85.7 77.7 25.1 15.4 -1.3 9.4 18 18 A X H 3<5S- 0 0 145 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.1 0.834 91.8 -43.8 50.1 47.1 17.0 -4.1 11.4 19 19 A X T 3<5S+ 0 0 101 -4,-0.5 -1,-0.3 -3,-0.4 -2,-0.1 0.525 129.1 91.3 82.6 0.7 20.3 -2.2 12.3 20 20 A G T < 5 - 0 0 50 -3,-2.1 -3,-0.1 1,-0.2 -2,-0.1 0.342 65.0-165.7-114.6 -0.6 20.6 -1.0 8.7 21 21 A X < + 0 0 47 -5,-0.7 -1,-0.2 1,-0.1 5,-0.1 -0.159 51.9 88.2 53.2-136.7 18.8 2.4 8.8 22 22 A X >> + 0 0 78 1,-0.1 4,-2.1 3,-0.1 3,-0.6 -0.113 32.6 127.3 49.9-134.9 18.0 3.7 5.3 23 23 A X H 3> S- 0 0 71 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.851 106.5 -53.8 51.1 43.6 14.7 2.4 3.9 24 24 A X H 3> S- 0 0 66 2,-0.2 4,-2.2 1,-0.2 -1,-0.3 0.862 108.0 -50.3 66.2 36.4 13.4 5.9 3.0 25 25 A X H <> S- 0 0 109 -3,-0.6 4,-2.2 2,-0.2 -1,-0.2 0.917 111.3 -48.7 64.2 46.1 14.0 7.2 6.6 26 26 A X H X S- 0 0 0 -4,-2.1 4,-1.5 1,-0.2 6,-0.4 0.867 109.1 -53.7 64.5 33.4 12.2 4.2 8.0 27 27 A X H X>S- 0 0 11 -4,-2.3 4,-2.8 -5,-0.2 5,-0.5 0.949 110.5 -45.6 63.8 47.9 9.3 4.8 5.6 28 28 A X H <5S- 0 0 94 -4,-2.2 27,-0.3 1,-0.2 -2,-0.2 0.861 111.5 -53.8 65.8 33.2 8.9 8.4 6.8 29 29 A X H <5S- 0 0 85 -4,-2.2 27,-0.4 1,-0.2 -1,-0.2 0.839 122.9 -26.1 65.4 35.0 9.2 7.3 10.4 30 30 A X H <5S+ 0 0 7 -4,-1.5 -2,-0.2 -3,-0.3 -1,-0.2 0.712 101.0 112.1 104.2 27.5 6.3 4.7 10.1 31 31 A G T <5S- 0 0 7 -4,-2.8 -3,-0.1 1,-0.4 -4,-0.1 0.396 71.7-135.9 -94.1 3.5 4.0 5.7 7.3 32 32 A X < + 0 0 5 -5,-0.5 -1,-0.4 -6,-0.4 2,-0.3 -0.431 43.7 143.1 69.0-156.3 5.0 2.8 5.1 33 33 A X E +A 3 0A 56 -30,-2.9 -30,-2.9 11,-0.1 2,-0.5 -0.804 5.6 127.5 119.2-164.3 5.7 3.4 1.4 34 34 A X E +A 2 0A 63 -2,-0.3 2,-0.4 -32,-0.2 -32,-0.2 -0.958 23.4 176.0 117.8-124.6 8.3 2.0 -1.0 35 35 A X + 0 0 50 -34,-2.6 2,-0.1 -2,-0.5 5,-0.0 -0.967 26.4 123.3 122.5-132.3 7.1 0.6 -4.3 36 36 A X S S- 0 0 117 -2,-0.4 3,-0.3 2,-0.0 -34,-0.0 -0.375 79.0 -18.4 72.2-149.6 9.6 -0.6 -7.0 37 37 A G S S+ 0 0 53 1,-0.2 -2,-0.2 -2,-0.1 0, 0.0 -0.149 105.2 53.4 -64.8-178.1 9.0 -4.2 -7.9 38 38 A X S S- 0 0 87 2,-0.0 2,-0.4 -37,-0.0 -1,-0.2 0.464 94.2 -60.9 99.6 14.3 7.2 -6.8 -6.1 39 39 A X + 0 0 120 -3,-0.3 2,-0.2 -38,-0.1 -36,-0.1 -0.922 60.3 136.0 124.7-136.0 3.6 -6.3 -5.0 40 40 A X + 0 0 35 -2,-0.4 5,-0.1 5,-0.1 2,-0.1 -0.491 28.7 106.6 82.2-152.4 2.1 -3.8 -2.6 41 41 A X > + 0 0 45 3,-0.2 3,-2.1 -2,-0.2 -1,-0.1 -0.357 36.3 102.9 73.9-160.6 -1.2 -2.0 -3.3 42 42 A G G > S- 0 0 81 1,-0.3 3,-0.6 2,-0.2 -1,-0.1 0.733 119.9 -53.0 57.9 28.9 -4.3 -3.0 -1.4 43 43 A X G 3 S- 0 0 115 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.497 118.1 -35.8 86.1 4.8 -4.1 -0.0 1.0 44 44 A X G < S- 0 0 57 -3,-2.1 -40,-0.2 1,-0.1 -1,-0.2 -0.304 75.7-131.9 139.3 -51.5 -0.5 -0.8 2.0 45 45 A X < 0 0 65 -3,-0.6 -40,-0.2 -42,-0.2 -5,-0.1 0.490 360.0 360.0 90.1 3.6 -0.5 -4.5 2.0 46 46 A X 0 0 77 -42,-2.3 -42,-2.7 -3,-0.1 -39,-0.1 -0.265 360.0 360.0 90.7 360.0 1.2 -5.2 5.4 47 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 48 1 B T 0 0 55 0, 0.0 34,-2.8 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 138.5 -3.1 12.3 25.3 49 2 B T E -B 81 0B 24 32,-0.2 2,-0.5 34,-0.1 32,-0.2 -0.874 360.0-171.2-106.3 126.3 -1.8 10.7 22.1 50 3 B a E -B 80 0B 0 30,-3.1 30,-2.9 -2,-0.5 43,-0.2 -0.968 11.3-167.1-125.1 117.8 1.9 10.2 21.8 51 4 B b B -C 92 0C 0 41,-3.1 41,-2.6 -2,-0.5 28,-0.2 -0.708 32.0-124.8-112.7 155.4 3.2 9.1 18.4 52 5 B P S S- 0 0 33 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.768 91.0 -8.7 -62.1 -26.3 6.4 7.7 17.0 53 6 B S S > S- 0 0 19 39,-0.1 4,-2.3 1,-0.1 5,-0.2 -0.974 71.4 -97.7-162.6 166.7 6.6 10.5 14.3 54 7 B I H > S+ 0 0 141 -2,-0.3 4,-2.3 2,-0.2 5,-0.2 0.826 121.9 54.7 -66.8 -33.6 4.8 13.4 12.7 55 8 B V H > S+ 0 0 48 -27,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.936 108.9 46.9 -64.4 -45.6 3.7 11.1 9.9 56 9 B A H > S+ 0 0 1 -27,-0.4 4,-2.3 1,-0.2 -2,-0.2 0.915 113.6 48.5 -61.6 -42.4 2.2 8.6 12.3 57 10 B K H X S+ 0 0 21 -4,-2.3 4,-2.9 2,-0.2 -1,-0.2 0.868 108.2 53.9 -68.2 -37.3 0.4 11.4 14.2 58 11 B S H X S+ 0 0 76 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.939 111.2 46.7 -60.0 -43.9 -0.9 12.9 10.9 59 12 B N H X S+ 0 0 37 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.899 111.6 51.2 -62.2 -39.1 -2.4 9.5 10.1 60 13 B F H X S+ 0 0 6 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.936 109.8 49.0 -62.0 -47.9 -3.8 9.2 13.6 61 14 B N H X S+ 0 0 88 -4,-2.9 4,-1.4 1,-0.2 -1,-0.2 0.850 109.7 52.1 -62.2 -37.2 -5.5 12.6 13.3 62 15 B A H < S+ 0 0 60 -4,-2.0 3,-0.3 -5,-0.2 -1,-0.2 0.922 109.7 49.7 -64.7 -44.5 -6.9 11.7 9.9 63 16 B c H <>S+ 0 0 26 -4,-2.2 5,-1.0 1,-0.2 -2,-0.2 0.885 112.7 48.1 -58.2 -39.0 -8.4 8.5 11.4 64 17 B R H ><5S+ 0 0 69 -4,-2.1 3,-1.6 1,-0.2 -1,-0.2 0.743 90.5 82.1 -77.7 -23.9 -9.9 10.5 14.3 65 18 B L T 3<5S+ 0 0 153 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.2 0.896 95.7 41.4 -53.9 -48.4 -11.5 13.2 12.1 66 19 B P T 3 5S- 0 0 109 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.513 129.2 -93.5 -80.3 0.5 -14.7 11.2 11.2 67 20 B G T < 5 + 0 0 48 -3,-1.6 -3,-0.2 1,-0.2 -2,-0.1 0.370 63.0 166.7 112.9 -1.6 -14.9 10.0 14.8 68 21 B T < - 0 0 48 -5,-1.0 -1,-0.2 1,-0.1 5,-0.1 -0.165 49.9 -91.8 -52.9 134.9 -13.1 6.7 14.8 69 22 B P >> - 0 0 70 0, 0.0 4,-2.0 0, 0.0 3,-0.8 -0.151 30.9-126.2 -52.5 136.3 -12.4 5.4 18.3 70 23 B E H 3> S+ 0 0 95 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.824 106.0 56.2 -52.9 -43.5 -9.0 6.5 19.6 71 24 B A H 3> S+ 0 0 60 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.868 108.4 49.0 -62.0 -34.6 -7.7 3.0 20.5 72 25 B L H <> S+ 0 0 109 -3,-0.8 4,-2.2 2,-0.2 -2,-0.2 0.936 112.0 47.2 -69.5 -45.9 -8.3 1.8 16.9 73 26 B c H X S+ 0 0 0 -4,-2.0 4,-1.5 1,-0.2 6,-0.4 0.863 109.6 56.0 -62.9 -34.2 -6.5 4.8 15.4 74 27 B A H X>S+ 0 0 10 -4,-2.4 4,-2.5 -5,-0.2 5,-0.7 0.953 109.3 44.2 -61.6 -51.6 -3.7 4.2 17.9 75 28 B T H <5S+ 0 0 95 -4,-2.1 -67,-0.4 1,-0.2 -2,-0.2 0.876 110.7 56.2 -63.7 -34.8 -3.2 0.6 16.8 76 29 B Y H <5S+ 0 0 84 -4,-2.2 -67,-0.3 1,-0.2 -1,-0.2 0.839 122.0 26.3 -60.6 -34.4 -3.4 1.6 13.1 77 30 B T H <5S- 0 0 6 -4,-1.5 -2,-0.2 -3,-0.5 -1,-0.2 0.636 102.4-112.6-107.2 -21.2 -0.6 4.2 13.5 78 31 B G T <5 + 0 0 15 -4,-2.5 -3,-0.2 1,-0.3 2,-0.1 0.413 68.9 141.1 89.9 -1.7 1.7 3.0 16.4 79 32 B b < - 0 0 5 -5,-0.7 -1,-0.3 -6,-0.4 2,-0.3 -0.492 40.9-144.5 -70.6 147.3 0.6 6.0 18.5 80 33 B I E -B 50 0B 79 -30,-2.9 -30,-3.1 -2,-0.1 2,-0.5 -0.753 4.1-133.8-110.7 159.6 0.1 5.3 22.2 81 34 B I E +B 49 0B 82 -2,-0.3 -32,-0.2 -32,-0.2 -10,-0.0 -0.954 25.8 173.2-117.0 124.1 -2.4 6.7 24.6 82 35 B I - 0 0 44 -34,-2.8 5,-0.0 -2,-0.5 -2,-0.0 -0.956 33.9-133.8-129.1 153.1 -1.5 8.0 28.0 83 36 B P S S+ 0 0 133 0, 0.0 -1,-0.1 0, 0.0 -34,-0.1 0.849 76.8 93.8 -73.4 -29.8 -3.5 9.8 30.6 84 37 B G S S- 0 0 38 1,-0.1 -2,-0.2 2,-0.1 0, 0.0 -0.184 80.1-123.7 -62.5 161.1 -0.9 12.5 31.4 85 38 B A S S+ 0 0 87 1,-0.1 2,-0.4 2,-0.0 -1,-0.1 0.592 91.5 60.1 -74.9 -12.6 -1.1 15.9 29.6 86 39 B T S S- 0 0 106 -38,-0.1 -2,-0.1 -36,-0.0 -36,-0.1 -0.964 76.0-133.9-129.1 129.2 2.5 15.6 28.4 87 40 B a - 0 0 19 -2,-0.4 2,-0.1 4,-0.1 6,-0.1 -0.548 35.1-104.9 -76.9 150.8 4.2 13.0 26.1 88 41 B P S > S- 0 0 71 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 -0.438 71.0 -33.9 -73.6 149.1 7.5 11.7 27.2 89 42 B G T 3 S- 0 0 79 1,-0.2 -2,-0.1 -2,-0.1 0, 0.0 -0.078 121.6 -19.6 49.5-126.8 10.7 12.8 25.5 90 43 B D T 3 S+ 0 0 158 2,-0.1 -1,-0.2 -38,-0.0 3,-0.0 0.156 88.7 137.5-108.3 19.1 10.4 13.6 21.8 91 44 B Y < - 0 0 106 -3,-2.0 2,-0.6 1,-0.1 -4,-0.1 -0.275 61.7-109.3 -59.0 146.1 7.2 11.7 21.0 92 45 B A B C 51 0C 20 -41,-2.6 -41,-3.1 1,-0.0 -39,-0.1 -0.729 360.0 360.0 -81.6 118.9 4.9 13.7 18.7 93 46 B N 0 0 112 -2,-0.6 -43,-0.2 -43,-0.2 -36,-0.0 -0.714 360.0 360.0 -71.5 360.0 1.8 14.8 20.6