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
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
|
==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-MAY-2003 .
REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 .
HEADER PLANT SEED PROTEIN 30-APR-81 1CRN .
COMPND CRAMBIN .
SOURCE ABYSSINIAN CABBAGE (CRAMBE ABYSSINICA) SEED .
AUTHOR W.A.HENDRICKSON,M.M.TEETER .
46 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) .
3010.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) .
27 58.7 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 .
5 10.9 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 T 0 0 77 0, 0.0 34,-2.8 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 147.7 17.0 12.8 4.3
2 2 T E -A 34 0A 21 32,-0.2 2,-0.4 36,-0.1 32,-0.2 -0.848 360.0-172.4-107.8 144.3 13.9 11.5 6.1
3 3 a E -A 33 0A 0 30,-2.4 30,-2.8 -2,-0.4 42,-0.2 -0.997 8.4-157.3-131.2 133.3 13.7 10.7 9.8
4 4 b - 0 0 0 42,-2.5 42,-2.6 -2,-0.4 28,-0.2 -0.889 18.9-136.5-118.9 151.2 10.6 9.0 11.4
5 5 P S S+ 0 0 52 0, 0.0 2,-0.3 0, 0.0 40,-0.3 0.623 84.6 3.5 -76.2 -19.0 9.4 9.0 15.0
6 6 S S > S- 0 0 48 38,-0.1 4,-1.9 1,-0.1 5,-0.1 -0.954 76.2-102.4-157.9 166.0 8.7 5.3 15.3
7 7 I H > S+ 0 0 123 -2,-0.3 4,-2.6 2,-0.2 5,-0.2 0.901 121.0 54.0 -63.6 -42.1 8.9 2.1 13.3
8 8 V H > S+ 0 0 98 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.898 107.5 51.3 -55.9 -44.6 5.1 2.2 12.5
9 9 A H > S+ 0 0 6 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.910 111.0 47.6 -61.4 -43.8 5.6 5.8 11.1
10 10 R H X S+ 0 0 55 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.906 111.1 50.4 -63.2 -43.3 8.5 4.6 8.8
11 11 S H X S+ 0 0 63 -4,-2.6 4,-1.7 2,-0.2 -2,-0.2 0.911 112.8 47.1 -61.2 -42.4 6.5 1.6 7.6
12 12 N H X S+ 0 0 82 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.877 110.2 53.6 -64.9 -39.5 3.5 3.9 6.8
13 13 F H X S+ 0 0 5 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.908 106.5 51.2 -59.1 -47.2 5.9 6.4 5.1
14 14 N H X S+ 0 0 87 -4,-2.5 4,-0.6 1,-0.2 -1,-0.2 0.870 111.8 47.2 -62.8 -35.2 7.3 3.6 2.8
15 15 V H >< S+ 0 0 99 -4,-1.7 3,-1.3 2,-0.2 -2,-0.2 0.927 108.8 54.9 -69.2 -41.2 3.8 2.6 1.7
16 16 c H 3<>S+ 0 0 18 -4,-2.5 5,-0.8 1,-0.3 -2,-0.2 0.862 107.5 51.8 -56.7 -36.0 2.9 6.3 1.1
17 17 R H ><5S+ 0 0 94 -4,-2.0 3,-1.6 1,-0.2 -1,-0.3 0.673 84.9 88.5 -77.1 -16.1 5.9 6.5 -1.2
18 18 L T <<5S+ 0 0 144 -3,-1.3 -1,-0.2 -4,-0.6 -2,-0.2 0.881 91.3 43.1 -53.2 -46.2 4.9 3.4 -3.3
19 19 P T 3 5S- 0 0 107 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.550 126.2 -97.4 -77.2 -7.6 2.8 5.4 -5.8
20 20 G T < 5 + 0 0 53 -3,-1.6 -3,-0.2 1,-0.2 -2,-0.1 0.547 61.2 169.9 106.3 7.3 5.4 8.2 -6.0
21 21 T < - 0 0 37 -5,-0.8 -1,-0.2 1,-0.1 5,-0.1 -0.260 44.7 -97.9 -52.7 136.3 3.8 10.6 -3.5
22 22 P >> - 0 0 81 0, 0.0 4,-2.2 0, 0.0 3,-0.7 -0.194 26.6-120.9 -57.0 146.6 6.1 13.5 -2.7
23 23 E H 3> S+ 0 0 70 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.872 110.6 61.4 -56.4 -36.2 8.1 13.1 0.5
24 24 A H 3> S+ 0 0 63 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.876 106.9 44.1 -63.4 -34.9 6.6 16.3 1.9
25 25 I H <> S+ 0 0 99 -3,-0.7 4,-1.8 2,-0.2 -1,-0.2 0.907 112.8 51.0 -74.8 -37.9 3.1 14.9 1.8
26 26 c H X S+ 0 0 0 -4,-2.2 4,-1.9 2,-0.2 6,-0.4 0.848 106.4 58.4 -64.9 -31.7 4.2 11.5 3.2
27 27 A H X S+ 0 0 12 -4,-2.5 4,-2.7 -5,-0.2 5,-0.5 0.957 110.0 39.9 -62.0 -54.0 5.9 13.5 6.0
28 28 T H < S+ 0 0 120 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.830 113.9 56.1 -68.8 -25.5 2.7 15.2 7.2
29 29 Y H < S+ 0 0 176 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.894 123.2 22.6 -67.6 -36.3 0.7 12.0 6.7
30 30 T H < S- 0 0 24 -4,-1.9 -2,-0.2 -3,-0.2 -3,-0.2 0.628 101.8-110.7-109.0 -18.5 3.0 10.0 8.9
31 31 G S < S+ 0 0 35 -4,-2.7 -3,-0.2 1,-0.4 -4,-0.1 0.338 74.1 133.2 91.8 -3.1 4.8 12.3 11.4
32 32 b - 0 0 5 -5,-0.5 -1,-0.4 -6,-0.4 2,-0.3 -0.337 44.9-142.4 -69.5 164.4 8.1 11.7 9.6
33 33 I E -A 3 0A 51 -30,-2.8 -30,-2.4 -3,-0.1 2,-0.5 -0.885 6.3-134.8-129.8 157.0 10.3 14.8 8.8
34 34 I E -A 2 0A 78 -2,-0.3 -32,-0.2 -32,-0.2 3,-0.0 -0.975 25.5-178.3-111.6 129.6 12.6 15.9 6.0
35 35 I - 0 0 34 -34,-2.8 5,-0.0 -2,-0.5 -2,-0.0 -0.898 32.4-131.9-124.1 158.1 15.9 17.5 6.9
36 36 P S S+ 0 0 143 0, 0.0 -1,-0.1 0, 0.0 -34,-0.1 0.804 89.0 59.3 -78.2 -24.4 18.6 18.9 4.7
37 37 G S S- 0 0 41 2,-0.1 -2,-0.2 -36,-0.1 3,-0.0 0.011 85.1-118.1 -89.7-161.7 21.5 17.0 6.5
38 38 A S S+ 0 0 80 1,-0.1 2,-0.7 2,-0.0 -36,-0.1 0.404 83.1 88.8-120.8 1.2 22.0 13.2 7.0
39 39 T - 0 0 127 -38,-0.1 -2,-0.1 -36,-0.0 -1,-0.1 -0.889 62.5-154.0-114.6 104.5 21.9 12.9 10.8
40 40 a - 0 0 46 -2,-0.7 -38,-0.0 -38,-0.1 -2,-0.0 -0.513 23.2-112.6 -75.5 145.4 18.5 12.3 12.3
41 41 P > - 0 0 53 0, 0.0 3,-2.1 0, 0.0 -1,-0.1 -0.214 29.4-103.2 -71.2 162.7 17.9 13.4 15.9
42 42 G G > S+ 0 0 75 1,-0.3 3,-0.5 2,-0.1 -2,-0.1 0.710 119.9 55.0 -61.9 -23.1 17.3 11.0 18.7
43 43 D G 3 S+ 0 0 116 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.477 111.7 45.3 -89.7 -2.0 13.6 11.6 18.8
44 44 Y G < S+ 0 0 66 -3,-2.1 -40,-0.3 1,-0.1 -1,-0.2 -0.513 75.2 140.6-130.3 60.0 13.3 10.7 15.1
45 45 A < 0 0 70 -3,-0.5 -3,-0.1 -40,-0.3 -1,-0.1 0.452 360.0 360.0 -88.8 -2.5 15.4 7.7 15.2
46 46 N 0 0 76 -42,-2.6 -42,-2.5 -3,-0.1 -39,-0.1 -0.256 360.0 360.0-112.9 360.0 13.5 5.4 12.9
|
