Structural statistics:
str target upper limits van der Waals torsion angles
function # sum max # sum max # sum max
1 1.12 25 7.3 0.22 0 2.8 0.17 1 17.7 2.47
2 1.17 25 7.6 0.21 0 2.9 0.17 1 20.8 3.78
3 1.19 21 6.5 0.20 0 2.8 0.17 3 28.8 7.79
4 1.23 25 8.0 0.29 0 3.0 0.17 0 17.4 1.45
5 1.26 26 8.0 0.37 0 2.4 0.17 1 21.4 2.28
6 1.34 24 7.4 0.28 0 2.9 0.18 4 28.7 4.45
7 1.35 30 8.4 0.27 0 2.7 0.16 2 24.6 2.68
8 1.40 27 8.5 0.29 0 2.8 0.19 2 35.7 3.71
9 1.50 33 9.2 0.38 0 2.6 0.16 2 30.2 2.19
10 1.52 24 8.5 0.40 1 3.1 0.22 0 17.6 1.84
11 1.53 36 9.7 0.27 0 3.4 0.17 1 23.1 2.12
12 1.53 27 8.1 0.25 0 3.4 0.18 7 44.6 5.91
13 1.56 27 8.6 0.39 0 2.5 0.19 4 34.8 4.73
14 1.63 30 8.5 0.29 0 3.9 0.19 3 30.2 4.02
15 1.71 35 9.4 0.29 0 3.4 0.17 3 31.4 5.43
16 1.71 31 9.0 0.40 0 2.6 0.19 8 43.5 4.29
17 1.71 26 8.1 0.53 2 2.8 0.28 5 26.7 4.82
18 1.74 31 9.1 0.26 0 3.7 0.18 3 31.1 4.16
19 1.76 35 9.5 0.53 0 2.8 0.16 3 24.5 2.58
20 1.82 36 10.6 0.29 0 3.1 0.17 5 38.9 5.39
Ave 1.49 29 8.5 0.32 0 3.0 0.18 3 28.6 3.80
+/- 0.22 4 0.9 0.09 0 0.4 0.03 2 7.9 1.58
Min 1.12 21 6.5 0.20 0 2.4 0.16 0 17.4 1.45
Max 1.82 36 10.6 0.53 2 3.9 0.28 8 44.6 7.79
Constraints violated in 1 or more structures:
Cutoffs: Upper distance limits : 0.10 A
Lower distance limits : 0.20 A
Van der Waals : 0.20 A
Angle constraints : 2.00 deg
# mean max. 1 5 10 15 20
Upper HA TYR 5 - HN ASP- 75 4.48 2 0.04 0.16 + *
Upper HN LEU 7 - HB3 LEU 7 3.45 12 0.13 0.27 + + ++++ + ++ + *+
Upper HN LEU 7 - HB2 LEU 7 3.45 6 0.05 0.21 + + +* + +
Upper HA LEU 7 - HN GLY 76 4.10 1 0.01 0.12 *
Upper HA THR 41 - HN THR 42 2.74 7 0.06 0.24 + +* + ++ +
Upper HB2 LYS+ 20 - HN LYS+ 21 4.23 3 0.06 0.12 + *+
Upper HA ALA 24 - HN LYS+ 69 3.61 1 0.04 0.15 *
Upper HB2 MET 26 - HN SER 27 3.79 2 0.03 0.13 *+
Upper HB2 LEU 35 - HN GLU- 36 4.17 1 0.01 0.23 *
Upper HN GLU- 36 - HB3 GLU- 36 3.27 14 0.12 0.21 + +++*+ + ++ +++++
Upper HB THR 41 - HN THR 42 3.11 4 0.07 0.39 + + * +
Upper HB2 SER 45 - HN MET 46 3.98 10 0.10 0.15 + *+ + +++++ +
Upper HN ASP- 55 - HA ASP- 55 2.62 12 0.07 0.11 ++ + ++++* ++++
Upper HB3 GLN 56 - HN LEU 57 3.55 1 0.02 0.29 *
Upper HB2 LYS+ 58 - HN GLY 59 4.04 1 0.01 0.11 *
Upper HB THR 62 - HN ASP- 63 4.51 2 0.02 0.19 * +
Upper HA SER 27 - HA2 GLY 64 4.57 5 0.09 0.16 * + + + +
Upper HA VAL 73 - HN ARG+ 74 3.11 1 0.03 0.53 *
Upper HB3 ASP- 75 - HN GLY 76 3.55 4 0.06 0.18 + + + *
Upper HN VAL 84 - HB VAL 84 3.45 3 0.02 0.13 * + +
Upper HN ASP- 52 - HB3 ASP- 52 3.33 2 0.04 0.23 * +
Upper HB2 ASP- 70 - HN LEU 71 3.52 20 0.15 0.19 ++++++++*+++++++++++
Upper HB2 ASP- 63 - HN LYS+ 66 4.10 2 0.05 0.12 * +
Upper HA LYS+ 33 - HB3 GLU- 36 3.45 10 0.10 0.30 + ++++ + + * ++
Upper HA LYS+ 32 - HB2 LEU 35 3.67 1 0.02 0.40 *
Upper HB3 PRO 23 - HN MET 26 4.23 5 0.08 0.26 + + ++ *
Upper HB3 PRO 23 - HN ALA 24 3.76 1 0.04 0.11 *
Upper HB2 LEU 68 - HB VAL 73 5.13 1 0.02 0.40 *
Upper HN LEU 68 - HG LEU 68 2.99 1 0.03 0.29 *
Upper HA GLU- 3 - HG2 GLU- 3 3.33 1 0.01 0.20 *
Upper HG LEU 50 - HA VAL 73 4.38 1 0.04 0.13 *
Upper HA LYS+ 66 - HG3 LYS+ 66 3.92 3 0.04 0.11 + +*
Upper HA LYS+ 33 - HG2 GLU- 36 4.29 1 0.04 0.14 *
Upper HA LYS+ 33 - HG3 GLU- 36 4.29 6 0.06 0.14 ++ + + + *
Upper HB3 TYR 5 - QD1 LEU 7 6.12 3 0.04 0.18 +* +
Upper HA GLU- 36 - QG2 THR 41 5.41 4 0.05 0.14 + + +*
Upper HN HIS+ 80 - HN ALA 81 4.45 3 0.06 0.13 + +*
Upper HA VAL 4 - HN ALA 24 2.96 1 0.01 0.11 *
Upper HN GLU- 3 - HA VAL 4 4.60 1 0.03 0.18 *
Upper HN LEU 61 - HB3 LEU 61 3.95 1 0.01 0.10 *
Upper HB2 ASP- 6 - HN LEU 7 3.92 10 0.10 0.29 +++ + + + + + +*
Upper HB3 ASP- 6 - HN LEU 7 3.92 4 0.05 0.26 + + +*
Upper HN ILE 9 - HN LYS+ 20 4.35 3 0.04 0.17 + * +
Upper HB VAL 4 - HN TYR 5 3.30 2 0.05 0.18 * +
Upper HB2 ASP- 83 - HN VAL 84 4.14 1 0.04 0.23 *
Upper HN MET 26 - HN LEU 68 4.04 3 0.05 0.28 * + +
Upper HA THR 11 - HN ALA 13 3.86 20 0.18 0.23 +++++++++++++++++*++
Upper HB2 ASN 12 - HN ALA 13 4.04 10 0.10 0.20 + +++ + +* +++
Upper HB3 ASN 12 - HN ALA 13 4.04 2 0.03 0.12 * +
Upper HA SER 45 - HN MET 46 3.11 17 0.12 0.24 +++ +++++ + +++*++++
Upper HA ASP- 6 - HN LYS+ 21 4.38 12 0.12 0.19 *+ ++ + +++ ++++
Upper HB ILE 9 - HN THR 10 3.83 5 0.07 0.14 + * + + +
Upper HN THR 10 - HN ILE 79 4.10 4 0.06 0.13 + + * +
Upper HN ASP- 52 - HB2 ASP- 52 3.33 2 0.03 0.12 * +
Upper HN LYS+ 34 - HB3 LYS+ 34 2.93 2 0.06 0.16 * +
Upper HB2 LEU 28 - HN ASN 29 3.45 9 0.09 0.13 + + +*+ ++ ++
Upper HB3 LEU 68 - HN LYS+ 69 3.61 12 0.13 0.29 + + +++ +++*+ ++
Upper HA ASP- 63 - HN ALA 65 3.79 1 0.01 0.24 *
Upper HN GLN 56 - HA GLN 56 2.80 1 0.01 0.12 *
Upper HA ARG+ 74 - HN ASP- 75 2.74 1 0.05 0.12 *
Upper HN ASN 12 - HB2 ASN 12 3.39 12 0.12 0.22 ++ ++*+ ++ + + + +
Upper HB THR 11 - HN ASN 12 2.80 20 0.15 0.18 +++++++++++++++*++++
Upper HB3 GLU- 36 - HN LEU 37 3.48 1 0.03 0.12 *
Upper HA LYS+ 66 - HN SER 67 2.74 3 0.07 0.16 + + *
Upper HA LEU 61 - HN THR 62 2.86 11 0.14 0.53 ++++ + +++ *++
Upper HB2 ASP- 75 - HN GLY 76 3.55 1 0.03 0.20 *
Upper HB THR 10 - HN THR 11 2.74 10 0.13 0.27 + ++*+++++ +
Upper HB2 ASP- 52 - HN GLY 53 3.14 8 0.09 0.33 + + * ++ +++
Upper HA LEU 57 - HN GLY 59 3.73 2 0.06 0.11 * +
Upper HN LEU 28 - HB3 LEU 28 3.05 3 0.07 0.13 + * +
Upper HN LEU 28 - HN LYS+ 66 4.23 1 0.05 0.14 *
Upper HN ASP- 83 - HB3 ASP- 83 3.17 5 0.05 0.22 +++ * +
Upper HN ASP- 83 - HB2 ASP- 83 3.17 5 0.04 0.18 +++ * +
Upper HN ASP- 54 - HB3 ASP- 54 3.55 1 0.02 0.26 *
Upper HN TYR 5 - HN ALA 24 3.83 1 0.04 0.14 *
Upper HN VAL 4 - HN ALA 24 3.95 3 0.07 0.14 + * +
Upper HN GLY 53 - HN ASP- 54 3.27 1 0.02 0.22 *
Upper HN LYS+ 69 - HN GLY 72 4.72 1 0.03 0.12 *
Upper HN SER 67 - HN LYS+ 69 4.38 15 0.12 0.24 + +++ +++++ ++ +* ++
Upper HN SER 67 - HN LEU 68 4.42 20 0.15 0.18 +++++++*++++++++++++
Upper HA TYR 5 - HN GLY 76 4.79 6 0.08 0.24 ++ ++ + *
Upper HN VAL 82 - HN ASP- 83 4.07 17 0.14 0.20 ++++ ++++ ++*++++++
Upper HN ALA 13 - HA ALA 13 2.74 20 0.15 0.18 +++++++++++*++++++++
Upper HA LEU 35 - HN VAL 39 3.98 4 0.04 0.17 * + + +
Upper HN LYS+ 69 - HB3 ASP- 70 4.97 17 0.12 0.16 +++++*+++ ++++++ ++
Upper HB ILE 79 - HN HIS+ 80 4.26 1 0.04 0.15 *
Upper QA GLY 87 - HN ASP- 90 6.22 2 0.02 0.21 * +
Upper HN THR 42 - HB THR 42 3.55 1 0.03 0.12 *
Upper HA LYS+ 34 - HN LEU 37 3.08 20 0.18 0.24 +++++++++++++++*++++
Upper HN THR 11 - HB THR 11 3.21 20 0.19 0.27 ++++*+++++++++++++++
Upper HB2 GLU- 8 - HN ILE 9 4.14 4 0.06 0.18 + * ++
Upper HN ARG+ 74 - HN ASP- 75 4.32 18 0.18 0.29 + +++++*++++ +++++++
Upper HA ALA 24 - HN GLY 25 3.11 5 0.07 0.24 ++ + +*
Upper HB THR 11 - HN ALA 81 4.82 6 0.08 0.15 * + ++ + +
Upper HN GLU- 3 - HG2 GLU- 3 4.79 1 0.02 0.12 *
Upper HN ASP- 6 - HG LEU 7 5.50 3 0.03 0.20 + + *
Upper HB2 LEU 68 - HN VAL 73 5.50 1 0.03 0.11 *
Upper HB2 TYR 5 - HN TYR 22 5.50 4 0.04 0.20 * + ++
Upper HG2 GLU- 36 - HN THR 41 5.50 1 0.01 0.12 *
Upper QG2 THR 10 - HN ASN 12 6.53 10 0.09 0.20 + *+++++++ +
Upper HA GLN 49 - HD2 HIS+ 80 4.94 1 0.06 0.10 *
Upper QG GLU- 3 - QE TYR 5 7.83 1 0.01 0.13 *
Upper QB GLU- 19 - HN LYS+ 21 5.67 4 0.04 0.18 + + *+
Upper HN LYS+ 34 - QD LYS+ 34 4.09 2 0.01 0.12 + *
VdW O LEU 61 - OG1 THR 62 2.40 1 0.02 0.28 *
VdW HN GLY 64 - HN ALA 65 1.90 1 0.01 0.21 *
VdW HB3 LEU 68 - HG12 VAL 73 2.00 1 0.01 0.22 *
Angle PHI TYR 5 236.00 262.00 3 1.11 5.43 * ++
Angle PSI TYR 5 112.00 140.00 6 1.30 4.93 + *++ + +
Angle PHI ASP- 6 246.00 290.00 1 0.16 2.56 *
Angle PSI ASP- 6 116.00 142.00 5 1.22 4.45 * + + + +
Angle PHI LEU 7 235.00 273.00 5 1.27 5.39 + ++ +*
Angle PSI LEU 7 129.00 155.00 4 1.77 5.91 *+ + +
Angle PHI GLU- 8 213.00 249.00 4 1.43 5.03 *+ + +
Angle PSI THR 11 144.00 166.00 2 0.78 2.21 * +
Angle PHI ASN 29 285.40 305.40 1 0.42 2.74 *
Angle PHI LYS+ 33 281.00 301.00 1 0.32 2.86 *
Angle PSI LYS+ 33 315.00 335.00 1 0.79 2.85 *
Angle PSI LEU 35 309.00 331.00 8 1.18 2.29 * ++ + + + ++
Angle PHI VAL 43 272.00 300.00 2 0.74 2.26 + *
Angle PHI LEU 57 278.00 302.00 1 0.28 3.08 *
Angle PHI THR 62 83.00 103.00 2 0.63 7.79 * +
Angle PSI THR 62 358.00 18.00 1 0.81 2.86 *
Angle PSI SER 67 151.00 179.00 1 0.26 2.04 *
Angle PHI LYS+ 69 285.00 305.00 4 0.95 2.68 + + + *
Angle PHI LEU 71 257.00 285.00 3 1.58 2.18 + * +
Angle PHI GLY 76 76.00 96.00 1 0.30 3.20 *
Angle PSI ASN 88 124.00 160.00 2 0.39 3.97 + *
104 violated distance constraints.
3 violated van der Waals constraints.
21 violated angle constraints.
RMSDs for residues 1..85:
Average backbone RMSD to mean : 0.58 +/- 0.13 A (0.44..0.97 A)
Average heavy atom RMSD to mean : 1.09 +/- 0.12 A (0.93..1.41 A)
Pairwise RMSD table [A]:
(Mean structure is "selected atoms" fitted for residues 1..85.)
1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 mean
1 0.91 1.02 0.80 1.05 0.88 0.85 0.96 0.76 0.90 0.97 0.74 1.15 0.86 0.81 0.91 1.29 1.11 1.16 0.83 0.72
2 1.75 0.84 0.86 0.84 0.90 0.88 1.02 0.88 0.74 1.04 0.60 1.16 1.22 1.08 1.02 1.04 0.95 1.09 0.97 0.72
3 1.82 1.51 0.77 0.42 0.59 0.67 0.83 0.64 0.60 0.66 0.66 0.62 0.93 0.90 0.73 1.11 0.69 0.56 0.77 0.44
4 1.52 1.54 1.62 0.91 0.82 0.62 0.67 0.65 0.71 0.87 0.80 0.89 0.84 0.70 0.78 1.12 0.96 0.89 0.81 0.54
5 1.97 1.47 1.19 1.73 0.63 0.81 0.99 0.80 0.61 0.72 0.61 0.74 1.03 1.04 0.83 1.11 0.69 0.64 0.81 0.54
6 1.75 1.72 1.49 1.43 1.62 0.76 0.92 0.57 0.76 0.73 0.65 0.76 0.96 0.89 0.79 1.27 0.86 0.89 0.78 0.54
7 1.66 1.68 1.62 1.25 1.69 1.52 0.58 0.56 0.73 0.70 0.71 0.83 0.87 0.61 0.52 1.10 0.79 0.86 0.68 0.44
8 1.66 1.65 1.68 1.39 1.87 1.55 1.45 0.64 0.84 0.93 0.89 0.99 0.71 0.56 0.58 1.23 0.98 0.96 0.72 0.59
9 1.52 1.68 1.36 1.41 1.54 1.38 1.36 1.45 0.79 0.77 0.64 0.86 0.86 0.60 0.65 1.21 0.88 0.91 0.78 0.47
10 1.82 1.30 1.45 1.59 1.34 1.62 1.68 1.61 1.73 0.64 0.62 0.72 0.91 0.91 0.72 1.04 0.83 0.69 0.60 0.45
11 1.60 1.68 1.47 1.45 1.56 1.44 1.44 1.56 1.32 1.44 0.72 0.65 0.93 0.95 0.66 1.06 0.76 0.65 0.71 0.52
12 1.49 1.36 1.45 1.49 1.51 1.46 1.55 1.50 1.34 1.50 1.38 0.90 0.98 0.87 0.74 1.01 0.73 0.86 0.76 0.46
13 1.90 1.81 1.46 1.53 1.45 1.32 1.54 1.56 1.45 1.51 1.35 1.46 0.97 1.05 0.69 1.31 0.78 0.65 0.81 0.63
14 1.50 1.96 1.88 1.65 1.91 1.75 1.70 1.36 1.71 1.66 1.62 1.62 1.67 0.75 0.75 1.36 1.05 0.94 0.68 0.70
15 1.67 1.67 1.73 1.43 1.90 1.57 1.43 1.28 1.54 1.64 1.52 1.56 1.69 1.51 0.69 1.34 1.08 1.08 0.81 0.65
16 1.69 1.73 1.51 1.51 1.63 1.47 1.42 1.38 1.36 1.49 1.20 1.28 1.25 1.58 1.56 1.20 0.75 0.84 0.63 0.47
17 2.03 1.63 1.70 1.77 1.74 1.92 1.80 1.90 1.83 1.62 1.66 1.74 1.93 2.07 1.92 1.85 1.03 1.10 1.24 0.97
18 1.84 1.73 1.54 1.58 1.56 1.36 1.64 1.65 1.54 1.65 1.36 1.39 1.31 1.73 1.61 1.36 1.78 0.74 0.94 0.62
19 1.90 1.74 1.38 1.60 1.48 1.60 1.48 1.58 1.46 1.56 1.36 1.41 1.27 1.65 1.67 1.36 1.81 1.49 0.86 0.62
20 1.50 1.76 1.75 1.65 1.79 1.68 1.50 1.48 1.68 1.60 1.51 1.61 1.56 1.31 1.59 1.54 1.98 1.67 1.57 0.52
mean 1.27 1.19 1.06 1.02 1.17 1.06 1.04 1.06 0.99 1.07 0.93 0.94 1.02 1.22 1.13 0.96 1.41 1.07 1.05 1.14
Average pairwise RMSD of each structure to the rest of the bundle:
Structure 1 (bb ): 0.95 +/- 0.15 A (0.74..1.29 A)
(heavy): 1.71 +/- 0.17 A (1.49..2.03 A)
Structure 2 (bb ): 0.95 +/- 0.15 A (0.60..1.22 A)
(heavy): 1.65 +/- 0.16 A (1.30..1.96 A)
Structure 3 (bb ): 0.74 +/- 0.17 A (0.42..1.11 A)
(heavy): 1.56 +/- 0.17 A (1.19..1.88 A)
Structure 4 (bb ): 0.81 +/- 0.12 A (0.62..1.12 A)
(heavy): 1.53 +/- 0.13 A (1.25..1.77 A)
Structure 5 (bb ): 0.80 +/- 0.19 A (0.42..1.11 A)
(heavy): 1.63 +/- 0.21 A (1.19..1.97 A)
Structure 6 (bb ): 0.81 +/- 0.16 A (0.57..1.27 A)
(heavy): 1.56 +/- 0.16 A (1.32..1.92 A)
Structure 7 (bb ): 0.74 +/- 0.14 A (0.52..1.10 A)
(heavy): 1.55 +/- 0.14 A (1.25..1.80 A)
Structure 8 (bb ): 0.84 +/- 0.18 A (0.56..1.23 A)
(heavy): 1.56 +/- 0.16 A (1.28..1.90 A)
Structure 9 (bb ): 0.76 +/- 0.16 A (0.56..1.21 A)
(heavy): 1.51 +/- 0.15 A (1.32..1.83 A)
Structure 10 (bb ): 0.76 +/- 0.12 A (0.60..1.04 A)
(heavy): 1.57 +/- 0.13 A (1.30..1.82 A)
Structure 11 (bb ): 0.80 +/- 0.14 A (0.64..1.06 A)
(heavy): 1.47 +/- 0.13 A (1.20..1.68 A)
Structure 12 (bb ): 0.76 +/- 0.12 A (0.60..1.01 A)
(heavy): 1.48 +/- 0.11 A (1.28..1.74 A)
Structure 13 (bb ): 0.87 +/- 0.19 A (0.62..1.31 A)
(heavy): 1.53 +/- 0.20 A (1.25..1.93 A)
Structure 14 (bb ): 0.93 +/- 0.17 A (0.68..1.36 A)
(heavy): 1.68 +/- 0.19 A (1.31..2.07 A)
Structure 15 (bb ): 0.88 +/- 0.20 A (0.56..1.34 A)
(heavy): 1.61 +/- 0.15 A (1.28..1.92 A)
Structure 16 (bb ): 0.76 +/- 0.16 A (0.52..1.20 A)
(heavy): 1.48 +/- 0.17 A (1.20..1.85 A)
Structure 17 (bb ): 1.17 +/- 0.11 A (1.01..1.36 A)
(heavy): 1.83 +/- 0.13 A (1.62..2.07 A)
Structure 18 (bb ): 0.87 +/- 0.14 A (0.69..1.11 A)
(heavy): 1.57 +/- 0.16 A (1.31..1.84 A)
Structure 19 (bb ): 0.86 +/- 0.17 A (0.56..1.16 A)
(heavy): 1.55 +/- 0.16 A (1.27..1.90 A)
Structure 20 (bb ): 0.80 +/- 0.14 A (0.60..1.24 A)
(heavy): 1.62 +/- 0.15 A (1.31..1.98 A)
Mean structure (bb ): 0.58 +/- 0.13 A (0.44..0.97 A)
(heavy): 1.09 +/- 0.12 A (0.93..1.41 A)
Average global and local displacements [A]:
backbone heavy atoms backbone heavy atoms
1 MET : 1.93 2.71 0.00 0.00
2 THR : 1.05 1.56 0.20 0.84
3 GLU- : 0.42 1.22 0.25 0.95
4 VAL : 0.30 0.41 0.08 0.13
5 TYR : 0.35 2.27 0.09 2.23
6 ASP- : 0.34 1.09 0.10 0.97
7 LEU : 0.35 1.03 0.05 0.91
8 GLU- : 0.31 0.80 0.04 0.60
9 ILE : 0.32 0.48 0.06 0.15
10 THR : 0.31 0.68 0.07 0.62
11 THR : 0.33 0.34 0.02 0.05
12 ASN : 0.43 1.04 0.02 1.04
13 ALA : 0.47 0.49 0.02 0.03
14 THR : 0.40 0.46 0.03 0.14
15 ASP- : 0.37 0.88 0.02 0.79
16 PHE : 0.38 1.26 0.03 1.11
17 PRO : 0.32 0.34 0.02 0.02
18 MET : 0.32 0.74 0.06 0.64
19 GLU- : 0.35 0.86 0.04 0.72
20 LYS+ : 0.36 1.07 0.06 0.89
21 LYS+ : 0.35 0.86 0.07 0.85
22 TYR : 0.33 0.92 0.06 0.77
23 PRO : 0.30 0.32 0.03 0.04
24 ALA : 0.27 0.30 0.03 0.07
25 GLY : 0.29 0.31 0.04 0.07
26 MET : 0.29 0.82 0.05 0.72
27 SER : 0.37 0.39 0.05 0.08
28 LEU : 0.43 0.78 0.02 0.59
29 ASN : 0.44 0.59 0.03 0.31
30 ASP- : 0.44 0.75 0.04 0.58
31 LEU : 0.43 0.78 0.03 0.60
32 LYS+ : 0.42 0.97 0.02 0.97
33 LYS+ : 0.41 0.69 0.01 0.49
34 LYS+ : 0.44 0.99 0.01 0.82
35 LEU : 0.44 0.57 0.01 0.23
36 GLU- : 0.41 1.43 0.02 1.25
37 LEU : 0.43 0.52 0.03 0.12
38 VAL : 0.48 0.55 0.03 0.07
39 VAL : 0.44 0.47 0.03 0.09
40 GLY : 0.43 0.44 0.03 0.05
41 THR : 0.44 0.63 0.07 0.38
42 THR : 0.44 0.58 0.13 0.33
43 VAL : 0.57 0.73 0.07 0.22
44 ASP- : 0.71 1.13 0.10 0.60
45 SER : 0.48 0.55 0.10 0.15
46 MET : 0.42 0.93 0.08 0.81
47 ARG+ : 0.34 1.13 0.07 1.06
48 ILE : 0.32 0.59 0.04 0.47
49 GLN : 0.25 0.71 0.03 0.68
50 LEU : 0.30 0.68 0.05 0.54
51 PHE : 0.35 0.93 0.13 0.82
52 ASP- : 0.49 1.40 0.20 1.29
53 GLY : 0.98 1.15 0.26 0.55
54 ASP- : 1.34 2.21 0.51 1.40
55 ASP- : 0.94 1.61 0.29 1.02
56 GLN : 0.90 1.59 0.11 1.10
57 LEU : 0.67 0.82 0.06 0.36
58 LYS+ : 0.58 1.35 0.08 0.95
59 GLY : 0.64 0.60 0.14 0.16
60 GLU- : 0.61 1.10 0.09 0.79
61 LEU : 0.52 1.15 0.13 0.91
62 THR : 0.75 0.94 0.14 0.37
63 ASP- : 0.50 0.85 0.14 0.68
64 GLY : 0.49 0.54 0.10 0.18
65 ALA : 0.63 0.69 0.07 0.11
66 LYS+ : 0.48 1.05 0.07 0.95
67 SER : 0.39 0.43 0.05 0.10
68 LEU : 0.34 0.62 0.02 0.38
69 LYS+ : 0.35 0.83 0.02 0.74
70 ASP- : 0.35 0.73 0.02 0.55
71 LEU : 0.31 0.39 0.02 0.13
72 GLY : 0.40 0.45 0.06 0.14
73 VAL : 0.42 0.61 0.12 0.37
74 ARG+ : 0.37 1.46 0.08 1.36
75 ASP- : 0.36 1.03 0.06 0.89
76 GLY : 0.36 0.38 0.06 0.11
77 TYR : 0.30 0.78 0.06 0.72
78 ARG+ : 0.27 1.67 0.07 1.73
79 ILE : 0.28 0.50 0.06 0.41
80 HIS+ : 0.26 0.29 0.05 0.10
81 ALA : 0.30 0.31 0.04 0.06
82 VAL : 0.40 0.43 0.05 0.08
83 ASP- : 0.56 1.27 0.07 1.11
84 VAL : 0.66 0.88 0.07 0.59
85 THR : 0.83 0.96 0.04 0.25
86 GLY : 1.04 1.10 0.04 0.08
87 GLY : 1.16 1.36 0.24 0.58
88 ASN : 1.32 1.82 0.42 1.43
89 GLU- : 2.36 3.25 0.52 1.52
90 ASP- : 3.61 4.46 0.00 0.00