Project name: 4XXD

Chain sequence(s)	H: EVQLVESGGGLVQPGGSLRLSCAASGFTFSRYSMSWVRQAPGKGLELVAQINSVGSSTYYPDTVKGRFTISRDNAKNTLYLQMNSLRAEDTAVYYCASGDYWGQGTLVTVSS; L: DVVMTQSPLSLPVTLGQPASISCRSSQSLIYSDGNAYLHWFLQKPGQSPRLLIYKVSNRFSGVPDRFSGSGSGTDFTLKISRVEAEDVGVYYCSQSTHVPWTFGQGTKLEIK
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                                          (00:01:09)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:10)

• Minimal score value: -2.6212
• Maximal score value: 1.6597
• Average score: -0.5341
• Total score value: -119.6464

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	E	H	-1.9145
2	V	H	-0.9316
3	Q	H	-0.9901
4	L	H	0.0000
5	V	H	-0.0492
6	E	H	0.0000
7	S	H	-0.4822
8	G	H	-0.7317
9	G	H	0.1571
11	G	H	0.8469
12	L	H	1.4461
13	V	H	-0.0033
14	Q	H	-1.2931
15	P	H	-1.3511
16	G	H	-1.4203
17	G	H	-1.1499
18	S	H	-1.0670
19	L	H	-0.8821
20	R	H	-1.8018
21	L	H	0.0000
22	S	H	-0.5268
23	C	H	0.0000
24	A	H	-0.4330
25	A	H	0.0000
26	S	H	-0.9575
27	G	H	-1.0399
28	F	H	-0.5992
29	T	H	-0.5941
30	F	H	0.0000
35	S	H	-0.9904
36	R	H	-1.4122
37	Y	H	-0.2649
38	S	H	-0.2383
39	M	H	0.0000
40	S	H	0.0000
41	W	H	0.0000
42	V	H	0.0000
43	R	H	0.0000
44	Q	H	-0.5517
45	A	H	-0.9611
46	P	H	-0.9796
47	G	H	-1.4697
48	K	H	-2.3353
49	G	H	-1.5041
50	L	H	-0.7401
51	E	H	-0.9163
52	L	H	0.0000
53	V	H	0.0000
54	A	H	0.0000
55	Q	H	0.0451
56	I	H	0.0000
57	N	H	-0.2205
58	S	H	-0.0240
59	V	H	1.0380
62	G	H	0.1796
63	S	H	0.0408
64	S	H	-0.1638
65	T	H	0.0211
66	Y	H	0.1269
67	Y	H	-0.7087
68	P	H	-1.6232
69	D	H	-2.4781
70	T	H	-1.6997
71	V	H	0.0000
72	K	H	-2.5591
74	G	H	-1.7248
75	R	H	-1.5582
76	F	H	0.0000
77	T	H	-0.7648
78	I	H	0.0000
79	S	H	-0.4641
80	R	H	-0.6407
81	D	H	-1.1189
82	N	H	-1.3031
83	A	H	-1.2733
84	K	H	-2.2173
85	N	H	-1.6273
86	T	H	-1.0225
87	L	H	0.0000
88	Y	H	-0.4460
89	L	H	0.0000
90	Q	H	-1.0449
91	M	H	0.0000
92	N	H	-1.2887
93	S	H	-1.1707
94	L	H	0.0000
95	R	H	-2.0416
96	A	H	-1.5895
97	E	H	-2.1287
98	D	H	0.0000
99	T	H	-0.2961
100	A	H	0.0000
101	V	H	0.9249
102	Y	H	0.0000
103	Y	H	0.0000
104	C	H	0.0000
105	A	H	0.0000
106	S	H	-0.0741
107	G	H	-0.4490
116	D	H	-0.7319
117	Y	H	-0.3743
118	W	H	-0.6321
119	G	H	0.0000
120	Q	H	-1.1721
121	G	H	-0.1810
122	T	H	0.4593
123	L	H	1.6597
124	V	H	0.0000
125	T	H	0.3927
126	V	H	0.0000
127	S	H	-0.6796
128	S	H	-0.5204
1	D	L	-1.2331
2	V	L	0.0000
3	V	L	0.6580
4	M	L	0.0000
5	T	L	-0.4949
6	Q	L	0.0000
7	S	L	-0.2375
8	P	L	0.2129
9	L	L	0.9749
10	S	L	0.0699
11	L	L	-0.2004
12	P	L	-0.7119
13	V	L	0.0000
14	T	L	-1.0242
15	L	L	-0.5310
16	G	L	-1.2419
17	Q	L	-1.7792
18	P	L	-1.7217
19	A	L	0.0000
20	S	L	-0.7287
21	I	L	0.0000
22	S	L	-0.8245
23	C	L	0.0000
24	R	L	-2.2345
25	S	L	0.0000
26	S	L	-0.9242
27	Q	L	-1.5202
28	S	L	-0.6706
29	L	L	0.0000
30	I	L	0.8597
31	Y	L	0.6520
32	S	L	-0.5115
34	D	L	-1.6958
35	G	L	-0.8529
36	N	L	-0.5415
37	A	L	0.1633
38	Y	L	0.4753
39	L	L	0.0000
40	H	L	0.0000
41	W	L	0.0000
42	F	L	0.0000
43	L	L	0.0000
44	Q	L	-1.0854
45	K	L	-1.5285
46	P	L	-0.8694
47	G	L	-1.2022
48	Q	L	-1.6770
49	S	L	0.0000
50	P	L	0.0000
51	R	L	-1.9668
52	L	L	0.0000
53	L	L	-0.5218
54	I	L	0.0000
55	Y	L	0.0088
56	K	L	-0.4207
57	V	L	-0.3774
65	S	L	-0.6354
66	N	L	-0.8522
67	R	L	-1.1447
68	F	L	-0.4567
69	S	L	-0.4057
70	G	L	-0.7081
71	V	L	-0.7196
72	P	L	-1.1764
74	D	L	-2.1705
75	R	L	-2.0300
76	F	L	0.0000
77	S	L	-1.2768
78	G	L	0.0000
79	S	L	-0.7996
80	G	L	-1.0109
83	S	L	-0.7262
84	G	L	-0.5957
85	T	L	-1.3800
86	D	L	-1.9129
87	F	L	0.0000
88	T	L	-0.9771
89	L	L	0.0000
90	K	L	-1.6782
91	I	L	0.0000
92	S	L	-2.1448
93	R	L	-2.6212
94	V	L	0.0000
95	E	L	-1.5310
96	A	L	-1.0440
97	E	L	-1.8655
98	D	L	0.0000
99	V	L	-0.6086
100	G	L	0.0000
101	V	L	-0.2219
102	Y	L	0.0000
103	Y	L	0.0000
104	C	L	0.0000
105	S	L	0.0000
106	Q	L	0.0000
107	S	L	0.3133
108	T	L	0.0000
109	H	L	0.2910
114	V	L	1.2301
115	P	L	0.0000
116	W	L	0.0000
117	T	L	0.1512
118	F	L	0.1148
119	G	L	0.0000
120	Q	L	-0.9746
121	G	L	0.0000
122	T	L	0.0000
123	K	L	-0.6385
124	L	L	0.0000
125	E	L	-0.9723
126	I	L	-0.5228
127	K	L	-1.4336