Table of results for automatic protein check

Results for modeling_eg_1.pdb

All atom values

Table of numeric atom values

VOL-SCORE: Analysis of atomic volumes by PROVE
BPOCHK: Buried hydrogen bond donors/acceptors by WHAT IF
HNDCHK: Chirality check by WHAT IF
BH2CHK: Buried unsatisfied hydrogen bond donors by WHAT IF
PL2CHK: Verification of connections to aromatic rings. by WHAT IF

atom	VOL-SCORE	BPOCHK	HNDCHK	BH2CHK	PL2CHK
2-LEU-CA	1.70		-0.60
2-LEU-CG	2.50		0.25
2-LEU-CD2	1.40
3-SER-O	-1.80
4-ASP-C	-0.80		1.87
4-ASP-O	-0.10
6-ASP-N	-0.80
6-ASP-CA	0.30		-0.49
6-ASP-C	0.80		2.63
6-ASP-O	0.70
6-ASP-CB	1.40
7-LYS-N	-0.30
7-LYS-CA	3.30		0.39
7-LYS-O	-0.50
7-LYS-CG	-1.40
8-LYS-N	0.20
9-ALA-C	0.80		2.73
10-LEU-N	0.30
10-LEU-CA	5.90		1.05
10-LEU-C	-0.70		2.91
10-LEU-O	1.30
10-LEU-CB	-1.10
10-LEU-CG	1.50		-2.30
10-LEU-CD1	-1.50
10-LEU-CD2	0.00
11-ASP-N	-1.10
11-ASP-CA	-0.90		-0.47
11-ASP-OD1	1.20
13-SER-C	-0.60		2.65
13-SER-O	-0.10
14-TRP-N	1.60
14-TRP-CA	1.60		1.44
14-TRP-C	-1.30		0.63
14-TRP-O	-2.40
14-TRP-CB	-2.00				0.22
14-TRP-CG	-2.90		2.10
14-TRP-CD2	-0.20		-1.78
14-TRP-NE1	0.10	NON-HBO		NON-HBO
14-TRP-CE2	0.00		-2.71
14-TRP-CE3	1.70
14-TRP-CZ2	-1.40
15-LYS-N	0.50
16-LYS-N	0.80
17-LEU-N	0.30
17-LEU-C	0.40		2.75
17-LEU-CG	-0.20		0.22
18-THR-N	-0.90
18-THR-CA	-1.60		-1.29
19-ALA-N	0.10
21-ALA-N	0.40
21-ALA-CA	2.10		-0.08
22-ASP-N	1.60	NON-HBO		NON-HBO
22-ASP-C	2.20		1.22
22-ASP-OD1	0.40
25-LYS-N	-2.00
25-LYS-C	-0.00		-8.11
25-LYS-CB	-0.70
26-ASN-C	0.10		1.97
27-ALA-C	1.00		5.83
27-ALA-O	-2.00
28-GLY-C	-2.70		-2.01
28-GLY-O	-0.50
29-ILE-N	1.80	NON-HBO		NON-HBO
29-ILE-CA	1.20		0.09
29-ILE-C	-1.20		0.03
29-ILE-O	-1.20
29-ILE-CG1	0.60
30-ASN-N	0.80
30-ASN-C	-1.20		4.04
31-LEU-N	-0.70
31-LEU-CA	4.60		0.10
31-LEU-C	-0.00		1.75
31-LEU-O	2.20
31-LEU-CB	3.30
31-LEU-CG	1.80		-1.54
32-VAL-N	-0.80
32-VAL-CA	1.50		-1.26
32-VAL-C	-1.10		0.10
32-VAL-O	-1.30
32-VAL-CB	-1.40		0.20
32-VAL-CG2	0.40
33-LEU-N	-2.10
33-LEU-CA	2.70		-0.22
33-LEU-C	-1.90		2.22
33-LEU-O	0.00
33-LEU-CB	0.50
33-LEU-CG	0.30		-0.98
34-TRP-N	0.30
34-TRP-CA	3.10		0.19
34-TRP-C	-0.80		2.17
34-TRP-O	0.10
35-MET-N	-0.50
35-MET-CA	-1.10		0.04
35-MET-C	-2.10		2.91
35-MET-O	-1.60
35-MET-CB	-0.50
35-MET-CG	-1.10
36-PHE-N	-1.10
36-PHE-CA	-0.60		-0.09
36-PHE-C	0.60		0.91
36-PHE-CB	0.60				1.86
36-PHE-CG	-1.70		-0.13
36-PHE-CD1	-2.00
36-PHE-CD2	-0.20
36-PHE-CE2	-3.10
37-ALA-N	0.10
38-ASN-N	-1.00
39-VAL-N	-0.70
39-VAL-C	-0.10		3.24
39-VAL-O	-1.70
40-PRO-N	-0.20		-0.59
40-PRO-CA	-0.80		0.39
41-ASN-C	-1.30		-0.00
42-MET-N	0.10
42-MET-C	-1.20		-1.07
42-MET-CG	-4.40
42-MET-SD	-2.30
43-ARG-N	-0.60
43-ARG-CA	0.80		0.00
43-ARG-C	-0.80		2.82
43-ARG-O	-0.10
43-ARG-CB	-0.50
43-ARG-CG	-0.50
43-ARG-CD	1.80
43-ARG-NH1	-0.00
44-ALA-N	0.40
45-GLN-N	0.90
46-PHE-N	-0.30
46-PHE-C	0.90		2.31
46-PHE-O	-0.50
46-PHE-CB	-2.60				1.06
46-PHE-CG	-2.00		1.63
46-PHE-CD2	-0.90
48-LYS-N	-0.90
48-LYS-CB	-0.10
49-PHE-N	0.40
49-PHE-C	0.90		3.19
49-PHE-O	-0.20
49-PHE-CB	-1.00				1.01
49-PHE-CG	2.00		-0.70
49-PHE-CD1	0.30
49-PHE-CD2	-1.20
49-PHE-CE1	-1.80
49-PHE-CE2	-0.60
49-PHE-CZ	-2.90
50-ASN-C	-0.40		-2.23
52-ASN-N	-0.30
52-ASN-C	1.10		0.66
54-SER-C	-0.80		1.54
54-SER-O	0.30
55-ASP-CA	-0.10		-0.06
55-ASP-O	-0.10
55-ASP-OD1	3.50	MIS-HBO
56-ASP-N	2.10
58-LEU-N	0.10
58-LEU-CA	2.00		0.16
58-LEU-C	0.40		3.49
58-LEU-O	1.00
58-LEU-CB	1.60
58-LEU-CG	-0.90		-0.04
58-LEU-CD2	1.40
59-LYS-N	-0.30
59-LYS-CA	1.10		-0.11
61-ASP-N	0.00
61-ASP-C	0.30		4.17
61-ASP-O	0.90
61-ASP-OD2	1.70
63-GLU-C	-0.50		0.65
63-GLU-OE1	0.20
64-PHE-N	-0.40
64-PHE-CA	2.20		0.47
64-PHE-C	-1.40		2.31
64-PHE-O	1.10
64-PHE-CB	-0.40				0.93
64-PHE-CG	-0.90		-0.92
64-PHE-CD1	1.70
64-PHE-CD2	0.70
64-PHE-CE1	-2.40
64-PHE-CE2	-1.00
64-PHE-CZ	-3.10
65-ILE-N	0.20
65-ILE-CA	-0.10		-2.04
66-LYS-N	-0.30
66-LYS-C	-0.20		2.77
67-GLN-C	-0.50		2.75
67-GLN-O	-2.40
68-VAL-N	1.00
68-VAL-CA	-0.30		-1.60
68-VAL-C	-2.10		-3.04
68-VAL-O	-0.70
68-VAL-CB	2.00		-5.48
68-VAL-CG1	-3.90
69-ASN-N	-0.00
69-ASN-CA	4.50		0.29
69-ASN-C	-1.40		2.40
69-ASN-O	-0.40
70-VAL-N	0.70
71-ILE-N	-0.90
71-ILE-C	0.60		2.77
71-ILE-O	0.70
71-ILE-CG1	-2.10
72-VAL-N	-0.20
72-VAL-O	0.30
73-ALA-N	-0.40
75-LEU-N	0.20
75-LEU-C	-0.90		2.85
76-ASP-N	-1.70
76-ASP-CA	-0.80		0.15
76-ASP-C	-1.10		2.55
76-ASP-O	-0.70
78-LEU-N	0.70
78-LEU-C	-2.00		-1.30
78-LEU-O	1.30
78-LEU-CG	-0.30		0.78
78-LEU-CD2	-1.20
79-LEU-N	-0.60
79-LEU-CA	4.10		0.99
79-LEU-C	-1.80		1.61
79-LEU-O	0.50
79-LEU-CG	-1.90		1.65
80-GLN-N	-0.20
81-SER-N	-1.30
81-SER-C	1.30		2.95
81-SER-O	1.50
82-VAL-N	0.40
82-VAL-CA	2.20		-0.72
82-VAL-C	-0.40		0.26
82-VAL-CB	3.00		0.91
83-ASN-N	1.90	NON-HBO		NON-HBO
84-ASN-N	1.60
84-ASN-C	0.90		1.67
84-ASN-O	-0.90
85-PRO-N	1.50		-0.25
85-PRO-C	-0.00		2.60
85-PRO-O	0.80
87-GLN-C	-0.80		-0.76
87-GLN-O	0.60
88-LEU-N	1.20
88-LEU-C	-1.50		2.54
88-LEU-O	0.50
88-LEU-CB	2.40
88-LEU-CG	-0.30		-1.54
89-GLN-N	-0.10
90-ALA-N	1.60
90-ALA-C	1.40		2.73
91-ASN-N	1.60
91-ASN-C	-1.70		2.80
92-LEU-N	-0.10
92-LEU-CA	0.50		-0.29
92-LEU-CG	-0.80		-0.12
93-ASP-C	-0.80		1.36
94-LYS-N	0.70
94-LYS-O	1.50
95-LEU-C	-1.30		1.27
96-ALA-N	-1.10
97-LYS-N	-0.80
97-LYS-C	-1.80		-2.54
97-LYS-O	-0.70
98-SER-C	0.30		0.21
98-SER-O	-0.80
98-SER-CB	-0.10
99-HIS-N	4.00	NON-HBO		NON-HBO
99-HIS-C	-0.10		1.24
100-VAL-N	1.50
100-VAL-C	1.20		-1.34
101-ASN-N	0.30
102-LEU-N	2.10	NON-HBO		NON-HBO
102-LEU-CB	0.10
103-LYS-N	-0.10
104-ILE-N	-0.80
104-ILE-CA	-2.40		-1.24
104-ILE-CB	1.40		0.70
104-ILE-CG1	-1.70
105-GLY-C	-0.80		-0.09
105-GLY-O	0.40
106-LEU-CA	-0.60		-0.13
108-PHE-N	0.30
108-PHE-CA	0.20		-0.81
108-PHE-O	0.90
108-PHE-CD2	-0.30
109-PHE-N	1.50
109-PHE-C	0.20		4.56
109-PHE-O	-0.20
111-PRO-C	0.80		0.96
111-PRO-O	-1.10
112-LEU-N	0.10
112-LEU-CA	0.20		0.04
112-LEU-C	-1.60		1.82
112-LEU-O	-1.50
112-LEU-CB	-0.60
112-LEU-CD1	1.40
113-GLN-N	-0.50
113-GLN-CA	2.10		1.42
113-GLN-O	2.50
115-ASN-N	-1.50
115-ASN-C	1.40		2.99
115-ASN-O	2.70
115-ASN-CB	2.10
115-ASN-CG	-0.90		0.38
116-ILE-N	0.20
116-ILE-CA	1.10		-0.41
116-ILE-C	-0.60		2.12
116-ILE-O	-0.70
116-ILE-CB	0.70		1.28
116-ILE-CG1	-0.50
117-HIS-N	0.40
117-HIS-CA	-0.40		-0.24
117-HIS-C	-1.10		1.01
117-HIS-O	-0.90
118-SER-N	0.00
118-SER-O	-0.50
119-PHE-N	1.00
119-PHE-C	-1.40		1.19
119-PHE-O	0.10
119-PHE-CB	2.70				2.19
119-PHE-CG	-1.70		-1.01
120-ILE-N	-0.40
120-ILE-CA	4.10		-0.63
121-GLU-N	-0.30
122-SER-N	-0.90
123-ALA-N	0.60
124-LEU-N	-0.70
124-LEU-C	2.30		2.70
124-LEU-O	2.10
128-ALA-CA	-0.20		-0.58
131-ASP-C	-0.20		1.06
131-ASP-O	0.40
132-GLU-C	-1.60		-0.60
132-GLU-O	-0.20
133-PRO-N	-0.70		-2.53
133-PRO-CD	-3.20
134-LYS-C	-0.90		3.03
135-ALA-N	0.10
135-ALA-CA	2.70		0.38
135-ALA-C	-0.30		2.87
135-ALA-O	0.70
135-ALA-CB	-0.10
136-TRP-N	0.60
136-TRP-CA	0.60		-0.09
136-TRP-C	-0.70		2.44
136-TRP-O	0.70
136-TRP-CB	0.90				0.84
136-TRP-CG	-1.10		-0.30
136-TRP-CD2	0.80		-0.13
136-TRP-NE1	3.30	NON-HBO		NON-HBO
136-TRP-CE2	2.20		0.33
137-GLY-N	-0.50
138-ASN-N	-0.70
138-ASN-C	-0.10		2.19
139-LEU-N	-0.20
139-LEU-CA	1.80		0.75
139-LEU-C	-0.20		3.58
139-LEU-O	-1.60
139-LEU-CB	-1.20
139-LEU-CG	-1.70		1.71
140-ILE-N	2.00
140-ILE-O	-0.70
141-ALA-N	-0.10
142-ALA-C	0.30		1.26
143-PHE-N	-1.30
143-PHE-CA	0.60		0.11
143-PHE-CG	2.10		-0.86
143-PHE-CD1	-1.80
143-PHE-CE1	-2.30
144-ASN-N	0.00
52-ASN-O		NON-HBO
1-SER-CA			-0.08
1-SER-C			1.66
2-LEU-C			-3.11
3-SER-CA			0.19
3-SER-C			2.79
4-ASP-CA			0.17
4-ASP-CG			1.00
5-ALA-CA			0.11
5-ALA-C			2.22
6-ASP-CG			-1.93
7-LYS-C			3.51
8-LYS-CA			0.01
8-LYS-C			2.53
9-ALA-CA			0.30
11-ASP-C			1.97
11-ASP-CG			-0.81
12-ALA-CA			0.07
12-ALA-C			2.10
13-SER-CA			0.15
15-LYS-CA			-0.16
15-LYS-C			2.29
16-LYS-CA			-0.11
16-LYS-C			2.48
17-LEU-CA			0.31
18-THR-C			1.74
18-THR-CB			-0.17
19-ALA-CA			0.37
19-ALA-C			1.33
20-GLY-C			0.67
21-ALA-C			1.16
22-ASP-CA			-0.29
22-ASP-CG			-0.34
23-GLY-C			-0.17
24-LYS-CA			0.48
24-LYS-C			-1.31
25-LYS-CA			0.26
26-ASN-CA			0.26
26-ASN-CG			-1.25
27-ALA-CA			-0.01
29-ILE-CB			-1.02
30-ASN-CA			0.05
30-ASN-CG			2.18
34-TRP-CG			1.38
34-TRP-CD2			-2.61
34-TRP-CE2			-4.86
37-ALA-CA			0.07
37-ALA-C			3.00
38-ASN-CA			-0.57
38-ASN-C			-1.87
38-ASN-CG			0.34
39-VAL-CA			-3.02
39-VAL-CB			1.40
40-PRO-C			1.63
41-ASN-CA			0.51
41-ASN-CG			1.31
42-MET-CA			0.93
43-ARG-CZ			0.26
44-ALA-CA			-0.73
44-ALA-C			1.53
45-GLN-CA			0.28
45-GLN-C			0.37
45-GLN-CD			0.09
46-PHE-CA			0.41
47-SER-CA			0.04
47-SER-C			1.48
48-LYS-CA			-1.00
48-LYS-C			-1.34
49-PHE-CA			-0.25
50-ASN-CA			0.12
50-ASN-CG			2.84
51-ALA-CA			0.12
51-ALA-C			1.16
52-ASN-CA			0.05
52-ASN-CG			0.12
53-GLN-CA			0.06
53-GLN-C			0.06
53-GLN-CD			0.06
54-SER-CA			-0.07
55-ASP-C			2.83
55-ASP-CG			-1.03
56-ASP-CA			-0.16
56-ASP-C			1.66
56-ASP-CG			-1.62
57-ALA-CA			0.16
57-ALA-C			2.18
59-LYS-C			0.25
60-GLY-C			-0.14
61-ASP-CA			-0.12
61-ASP-CG			4.49
62-ALA-CA			-0.22
62-ALA-C			1.29
63-GLU-CA			-0.70
63-GLU-CD			1.25
65-ILE-C			-0.53
65-ILE-CB			2.48
66-LYS-CA			-0.09
67-GLN-CA			-0.36
67-GLN-CD			0.05
69-ASN-CG			-0.23
70-VAL-CA			-1.26
70-VAL-C			0.49
70-VAL-CB			0.03
71-ILE-CA			-1.06
71-ILE-CB			-1.18
72-VAL-CA			-0.83
72-VAL-C			1.24
72-VAL-CB			-0.55
73-ALA-CA			0.01
73-ALA-C			3.07
74-ALA-CA			0.06
74-ALA-C			3.41
75-LEU-CA			-0.09
75-LEU-CG			0.60
76-ASP-CG			-0.47
77-GLY-C			1.98
78-LEU-CA			0.07
80-GLN-CA			0.07
80-GLN-C			1.35
80-GLN-CD			-0.40
81-SER-CA			0.31
83-ASN-CA			-0.11
83-ASN-C			-0.35
83-ASN-CG			-0.63
84-ASN-CA			-0.26
84-ASN-CG			2.30
85-PRO-CA			0.15
86-GLY-C			2.25
87-GLN-CA			0.44
87-GLN-CD			0.31
88-LEU-CA			-0.54
89-GLN-CA			0.31
89-GLN-C			2.41
89-GLN-CD			-0.21
90-ALA-CA			-0.05
91-ASN-CA			0.40
91-ASN-CG			-0.22
92-LEU-C			1.33
93-ASP-CA			0.08
93-ASP-CG			0.59
94-LYS-CA			0.40
94-LYS-C			2.08
95-LEU-CA			-0.43
95-LEU-CG			-0.66
96-ALA-CA			-0.25
96-ALA-C			1.57
97-LYS-CA			-0.17
98-SER-CA			2.33
99-HIS-CA			0.76
99-HIS-CG			-0.24
100-VAL-CA			-1.08
100-VAL-CB			0.92
101-ASN-CA			-0.39
101-ASN-C			1.23
101-ASN-CG			-0.22
102-LEU-CA			-0.78
102-LEU-C			-1.12
102-LEU-CG			0.45
103-LYS-CA			-0.35
103-LYS-C			-0.52
104-ILE-C			0.48
106-LEU-C			2.11
106-LEU-CG			0.47
107-GLU-CA			-1.73
107-GLU-C			2.54
107-GLU-CD			-1.14
108-PHE-C			1.39
108-PHE-CG			1.22
109-PHE-CA			0.00
109-PHE-CG			1.74
110-GLY-C			1.42
111-PRO-N			0.59
111-PRO-CA			-0.70
112-LEU-CG			0.59
113-GLN-C			2.79
113-GLN-CD			-3.33
114-GLN-CA			-0.99
114-GLN-C			1.50
114-GLN-CD			-1.98
115-ASN-CA			-0.05
117-HIS-CG			0.23
118-SER-CA			-0.01
118-SER-C			1.48
119-PHE-CA			-0.21
120-ILE-C			1.92
120-ILE-CB			-0.55
121-GLU-CA			-1.31
121-GLU-C			1.30
121-GLU-CD			-0.35
122-SER-CA			0.01
122-SER-C			1.65
123-ALA-CA			-0.41
123-ALA-C			-0.15
124-LEU-CA			-0.51
124-LEU-CG			-0.80
125-GLY-C			2.13
126-VAL-CA			-1.05
126-VAL-C			-0.59
126-VAL-CB			1.24
127-GLY-C			1.31
128-ALA-C			-0.36
129-GLY-C			8.12
130-SER-CA			0.27
130-SER-C			1.87
131-ASP-CA			-0.04
131-ASP-CG			0.06
132-GLU-CA			-1.70
132-GLU-CD			0.17
133-PRO-CA			0.39
133-PRO-C			2.53
134-LYS-CA			-0.22
137-GLY-C			-0.29
138-ASN-CA			-0.20
138-ASN-CG			-0.73
140-ILE-CA			-0.71
140-ILE-C			0.90
140-ILE-CB			-1.21
141-ALA-CA			0.26
141-ALA-C			2.17
142-ALA-CA			0.01
143-PHE-C			1.04
144-ASN-CA			0.17
144-ASN-C			0.88
144-ASN-CG			-0.19
34-TRP-CB					0.83
99-HIS-CB					0.57
108-PHE-CB					1.31
109-PHE-CB					2.45
117-HIS-CB					0.06
143-PHE-CB					1.33

Values printed in italics are "poor", values in boldface are "bad"