Project name: hu1F5 ABB

Chain sequence(s)	H: QVQLQESGPGLVKPSQTLSLTCSVTGYSITSDYYWNWIRQPPGNGLEWMGYVTYDGSNNYNPSLKNRISISVDSSKNQFFLKLNSVTAADTATYYCARFGSSYWAMDYWGQGTSVTVSS; L: QIVLTQPPSILSASPGESATLTCTLRSSVSYIYWYQQKPGSPPKYLLMSTSEQGSGVPSRFSGSKSANAGILLISGLQSEDEADYYCHQWYSYPWTFGGGTKLTVL
Selected Chain(s)	H,L
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No

Simulation log

[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:00)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:00)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with all chain(s) selected           (00:00:00)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:00)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:00)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:48)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:49)

• Minimal score value: -2.5619
• Maximal score value: 1.7296
• Average score: -0.4648
• Total score value: -104.5764

The table below lists A3D score for protein residues. Residues with A3D score > 0.0000 are marked by yellow rows.

residue index	residue name	chain	Aggrescan3D score	mutation
1	Q	H	-1.4421
2	V	H	-1.0063
3	Q	H	-1.7459
4	L	H	0.0000
5	Q	H	-1.7933
6	E	H	0.0000
7	S	H	-0.7821
8	G	H	-0.5611
9	P	H	-0.3184
11	G	H	-0.2042
12	L	H	0.1541
13	V	H	0.0000
14	K	H	-1.4834
15	P	H	-1.3017
16	S	H	-1.4528
17	Q	H	-2.0093
18	T	H	-1.7152
19	L	H	0.0000
20	S	H	-0.8729
21	L	H	0.0000
22	T	H	-0.4014
23	C	H	0.0000
24	S	H	-1.1668
25	V	H	0.0000
26	T	H	-1.1957
27	G	H	-0.8903
28	Y	H	-0.4546
29	S	H	-0.4537
30	I	H	0.0000
31	T	H	-0.4807
35	S	H	-0.6339
36	D	H	-1.1658
37	Y	H	-0.3312
38	Y	H	-0.1504
39	W	H	0.0000
40	N	H	0.0000
41	W	H	0.0000
42	I	H	0.0000
43	R	H	0.0000
44	Q	H	0.0000
45	P	H	-0.6841
46	P	H	-0.8144
47	G	H	-1.0821
48	N	H	-1.5005
49	G	H	-1.2414
50	L	H	0.0000
51	E	H	-0.6158
52	W	H	0.0000
53	M	H	0.0000
54	G	H	0.0000
55	Y	H	0.0000
56	V	H	0.0000
57	T	H	0.0000
58	Y	H	-0.4726
59	D	H	-1.7863
63	G	H	-1.2413
64	S	H	-1.1893
65	N	H	-1.3077
66	N	H	-0.8095
67	Y	H	-0.8564
68	N	H	-0.9777
69	P	H	-1.2714
70	S	H	-1.0296
71	L	H	0.0000
72	K	H	-2.5619
74	N	H	-2.5215
75	R	H	-2.2420
76	I	H	0.0000
77	S	H	-1.2985
78	I	H	0.0000
79	S	H	-0.3388
80	V	H	-0.3196
81	D	H	-1.0471
82	S	H	-1.0145
83	S	H	-1.3340
84	K	H	-2.1989
85	N	H	-1.5283
86	Q	H	-1.2035
87	F	H	0.0000
88	F	H	-0.0601
89	L	H	0.0000
90	K	H	-1.3344
91	L	H	0.0000
92	N	H	-2.2972
93	S	H	-1.7215
94	V	H	0.0000
95	T	H	-0.6635
96	A	H	-0.2031
97	A	H	0.0200
98	D	H	0.0000
99	T	H	-0.0528
100	A	H	0.0000
101	T	H	-0.4215
102	Y	H	0.0000
103	Y	H	0.0000
104	C	H	0.0000
105	A	H	0.0000
106	R	H	0.0000
107	F	H	0.0000
108	G	H	0.0000
109	S	H	0.0518
110	S	H	0.3191
112	Y	H	0.9146
113	W	H	0.7466
114	A	H	0.1322
115	M	H	0.0000
116	D	H	-1.2943
117	Y	H	-1.1601
118	W	H	0.0000
119	G	H	-1.2764
120	Q	H	-1.7203
121	G	H	0.0000
122	T	H	-0.7124
123	S	H	-0.2829
124	V	H	0.0000
125	T	H	-0.1058
126	V	H	0.0000
127	S	H	-0.4599
128	S	H	-0.5828
1	Q	L	-0.5794
2	I	L	0.2230
3	V	L	0.9572
4	L	L	0.0000
5	T	L	-0.2023
6	Q	L	0.0000
7	P	L	-0.1661
8	P	L	0.2607
9	S	L	0.3837
10	I	L	1.7296
11	L	L	1.1914
12	S	L	0.8638
13	A	L	0.1960
14	S	L	-0.4420
15	P	L	-1.2408
16	G	L	-1.7230
17	E	L	-2.3076
18	S	L	-1.2416
19	A	L	0.0000
20	T	L	0.0124
21	L	L	0.0000
22	T	L	0.2223
23	C	L	0.0000
24	T	L	-0.5822
25	L	L	0.0000
26	R	L	-1.6861
27	S	L	-1.2094
28	S	L	-0.9346
29	V	L	0.1025
37	S	L	0.4545
38	Y	L	1.1853
39	I	L	0.0000
40	Y	L	0.0000
41	W	L	0.0000
42	Y	L	0.0000
43	Q	L	0.0000
44	Q	L	0.0000
45	K	L	-1.7496
46	P	L	-1.1020
47	G	L	-0.9895
48	S	L	-1.0551
49	P	L	-0.8514
50	P	L	0.0000
51	K	L	-1.2386
52	Y	L	-0.5750
53	L	L	0.0000
54	L	L	0.0000
55	M	L	0.0000
56	S	L	-0.1077
57	T	L	0.0000
65	S	L	-1.2379
66	E	L	-1.9335
67	Q	L	-1.6829
68	G	L	0.0000
69	S	L	-0.7266
70	G	L	-0.6010
71	V	L	-0.4622
72	P	L	-0.4055
74	S	L	-0.5445
75	R	L	-0.5156
76	F	L	0.0000
77	S	L	-0.3872
78	G	L	-0.5667
79	S	L	-0.8654
80	K	L	-1.6339
83	S	L	-0.8534
84	A	L	-0.9803
85	N	L	-1.9762
86	A	L	-0.9406
87	G	L	0.0000
88	I	L	0.3210
89	L	L	0.0000
90	L	L	0.2352
91	I	L	0.0000
92	S	L	-0.8914
93	G	L	-1.4038
94	L	L	0.0000
95	Q	L	-2.0397
96	S	L	-1.6260
97	E	L	-2.4561
98	D	L	0.0000
99	E	L	-1.6156
100	A	L	0.0000
101	D	L	-0.8923
102	Y	L	0.0000
103	Y	L	0.0000
104	C	L	0.0000
105	H	L	0.0000
106	Q	L	0.0000
107	W	L	1.0386
108	Y	L	1.6480
109	S	L	0.7959
114	Y	L	0.5795
115	P	L	0.0000
116	W	L	0.0000
117	T	L	0.3072
118	F	L	0.0000
119	G	L	-0.1746
120	G	L	-0.9598
121	G	L	-0.6815
122	T	L	0.0000
123	K	L	-0.3170
124	L	L	0.0000
125	T	L	0.6750
126	V	L	1.4807
127	L	L	0.4278