==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-AUG-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PLANT SEED PROTEIN 15-JUL-93 1CNR . COMPND 2 MOLECULE: CRAMBIN; . SOURCE 2 ORGANISM_SCIENTIFIC: CRAMBE HISPANICA SUBSP. ABYSSINICA; . AUTHOR A.YAMANO,M.M.TEETER . 46 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 2937.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 28 60.9 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 . 3 6.5 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 . 1 2.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 6 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 15 32.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 2.2 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 1 0 0 1 0 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 . 0 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 T 0 0 74 0, 0.0 34,-3.0 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 138.3 16.9 12.7 4.2 2 2 A T E -A 34 0A 23 32,-0.2 2,-0.4 36,-0.1 32,-0.2 -0.833 360.0-173.5-103.9 142.5 13.7 11.3 5.8 3 3 A a E -A 33 0A 0 30,-2.4 30,-2.8 -2,-0.4 42,-0.2 -0.995 7.2-156.4-132.2 139.5 13.5 10.6 9.6 4 4 A b - 0 0 0 42,-2.6 42,-2.7 -2,-0.4 28,-0.2 -0.893 19.1-139.9-125.1 148.0 10.6 8.9 11.3 5 5 A P S S+ 0 0 52 0, 0.0 40,-0.3 0, 0.0 2,-0.3 0.696 85.6 3.6 -76.5 -19.1 9.4 9.0 14.9 6 6 A S S > S- 0 0 50 38,-0.1 4,-1.9 1,-0.1 5,-0.1 -0.957 76.4-102.2-157.7 166.2 8.6 5.3 15.1 7 7 A I H > S+ 0 0 113 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.901 120.2 50.5 -61.3 -46.7 8.9 2.1 13.1 8 8 A V H > S+ 0 0 95 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.893 107.0 54.4 -65.5 -34.6 5.2 2.1 12.2 9 9 A A H > S+ 0 0 7 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.928 110.7 47.1 -59.8 -44.4 5.5 5.7 11.0 10 10 A R H X S+ 0 0 49 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.915 110.7 51.4 -61.6 -41.6 8.3 4.6 8.7 11 11 A S H X S+ 0 0 61 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.937 112.0 46.4 -63.2 -41.3 6.4 1.6 7.5 12 12 A N H X S+ 0 0 75 -4,-3.0 4,-2.4 1,-0.2 -1,-0.2 0.861 110.7 54.6 -67.7 -36.0 3.4 3.8 6.7 13 13 A F H X S+ 0 0 4 -4,-2.2 4,-2.1 -5,-0.2 -2,-0.2 0.907 106.2 50.7 -59.9 -47.2 5.8 6.3 5.0 14 14 A N H X S+ 0 0 87 -4,-2.7 4,-0.8 2,-0.2 -2,-0.2 0.867 111.2 48.0 -65.5 -34.7 7.2 3.6 2.7 15 15 A V H >< S+ 0 0 93 -4,-1.9 3,-1.0 -5,-0.2 -1,-0.2 0.928 108.5 54.9 -66.6 -44.8 3.8 2.5 1.7 16 16 A c H 3<>S+ 0 0 17 -4,-2.4 5,-0.8 1,-0.2 -2,-0.2 0.864 107.4 52.2 -52.2 -36.9 2.8 6.2 1.0 17 17 A R H ><5S+ 0 0 90 -4,-2.1 3,-2.0 1,-0.2 -1,-0.2 0.712 85.1 85.5 -76.3 -19.7 5.8 6.4 -1.3 18 18 A L T <<5S+ 0 0 143 -3,-1.0 -1,-0.2 -4,-0.8 -2,-0.2 0.858 92.6 44.5 -53.8 -44.9 5.0 3.4 -3.4 19 19 A P T 3 5S- 0 0 108 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.550 126.6 -98.9 -75.5 -6.2 2.7 5.3 -5.8 20 20 A G T < 5 + 0 0 54 -3,-2.0 -3,-0.2 1,-0.2 -2,-0.1 0.492 60.6 170.8 103.7 7.2 5.2 8.1 -6.0 21 21 A T < - 0 0 38 -5,-0.8 -1,-0.2 1,-0.1 5,-0.1 -0.217 44.1 -97.0 -47.9 134.7 3.7 10.5 -3.5 22 22 A P >> - 0 0 75 0, 0.0 4,-2.3 0, 0.0 3,-0.7 -0.202 27.3-122.9 -50.5 142.9 6.0 13.5 -2.6 23 23 A E H 3> S+ 0 0 64 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.830 110.4 61.0 -55.9 -37.4 8.0 13.0 0.5 24 24 A A H 3> S+ 0 0 60 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.861 107.8 43.7 -61.3 -37.4 6.6 16.2 2.0 25 25 A L H <> S+ 0 0 104 -3,-0.7 4,-2.0 2,-0.2 -1,-0.2 0.889 112.6 51.2 -73.6 -38.6 3.0 14.7 1.8 26 26 A c H X S+ 0 0 0 -4,-2.3 4,-1.3 2,-0.2 6,-0.4 0.854 108.2 56.3 -64.8 -31.3 4.1 11.4 3.1 27 27 A A H >X>S+ 0 0 10 -4,-2.4 4,-2.8 -5,-0.2 3,-0.6 0.962 109.9 40.9 -63.0 -54.6 5.8 13.3 6.0 28 28 A T H 3<5S+ 0 0 119 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.832 113.1 57.0 -66.3 -26.7 2.6 15.1 7.1 29 29 A Y H 3<5S+ 0 0 151 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.796 123.5 21.3 -69.0 -31.3 0.6 11.9 6.6 30 30 A T H <<5S- 0 0 26 -4,-1.3 -2,-0.2 -3,-0.6 -1,-0.2 0.589 102.6-109.0-111.8 -17.6 2.9 9.9 9.0 31 31 A G T <5S+ 0 0 37 -4,-2.8 -3,-0.2 1,-0.3 -4,-0.1 0.385 75.8 133.3 89.0 -4.6 4.7 12.3 11.3 32 32 A b < - 0 0 5 -5,-0.5 -1,-0.3 -6,-0.4 2,-0.3 -0.277 44.2-143.1 -66.8 168.0 7.9 11.6 9.5 33 33 A I E -A 3 0A 44 -30,-2.8 -30,-2.4 -3,-0.1 2,-0.5 -0.915 9.6-133.6-136.5 156.4 10.1 14.5 8.6 34 34 A I E -A 2 0A 82 -2,-0.3 -32,-0.2 -32,-0.2 3,-0.0 -0.975 26.2-176.9-107.5 126.8 12.4 15.7 5.8 35 35 A I - 0 0 33 -34,-3.0 5,-0.1 -2,-0.5 -2,-0.0 -0.914 30.7-134.3-121.2 153.8 15.7 17.2 6.8 36 36 A P S S+ 0 0 144 0, 0.0 -1,-0.1 0, 0.0 -34,-0.1 0.775 89.8 59.0 -74.9 -26.1 18.4 18.8 4.6 37 37 A G S S- 0 0 39 2,-0.1 -2,-0.2 -36,-0.1 3,-0.0 0.022 85.5-120.9 -85.6-164.9 21.1 16.9 6.4 38 38 A A S S+ 0 0 79 1,-0.1 2,-0.8 2,-0.0 -36,-0.1 0.320 81.3 93.1-122.7 3.3 21.7 13.2 6.9 39 39 A T - 0 0 128 -38,-0.1 -2,-0.1 -36,-0.0 -1,-0.1 -0.838 61.1-155.8-111.3 98.0 21.7 12.9 10.7 40 40 A a - 0 0 47 -2,-0.8 5,-0.0 -38,-0.1 -38,-0.0 -0.475 22.5-116.7 -72.0 139.6 18.3 12.2 12.1 41 41 A P > - 0 0 56 0, 0.0 3,-2.2 0, 0.0 -1,-0.1 -0.222 27.9-101.3 -73.0 165.1 17.8 13.3 15.7 42 42 A G G > S+ 0 0 76 1,-0.3 3,-0.5 2,-0.1 -2,-0.1 0.685 121.8 54.2 -63.8 -24.3 17.1 10.9 18.6 43 43 A D G 3 S+ 0 0 113 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.402 111.7 45.1 -90.7 1.2 13.4 11.6 18.6 44 44 A Y G < S+ 0 0 66 -3,-2.2 -40,-0.3 1,-0.1 -1,-0.2 -0.486 75.9 139.5-131.0 58.9 13.2 10.7 14.9 45 45 A A < 0 0 69 -3,-0.5 -3,-0.1 -40,-0.3 -2,-0.1 0.447 360.0 360.0 -86.6 -7.2 15.3 7.6 15.1 46 46 A N 0 0 77 -42,-2.7 -42,-2.6 -3,-0.1 -39,-0.1 -0.262 360.0 360.0-112.0 360.0 13.3 5.3 12.8