Project name: 5A1

Chain sequence(s)	H: QVQLQESGGGSVQAGGSLKLSCTASGYTNRLKCMGWFRQAPGKEREEIATISTGTGNTYYADSVKGRFTFSQDKVKNTVYLQMNTLKPDDTGMYYCAADVRPDGTTCHYNSGGQGTQVTVSS
Selected Chain(s)	H
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 H chain(s) selected             (00:00:00)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:00)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:26)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:28)

• Minimal score value: -3.2243
• Maximal score value: 0.6377
• Average score: -0.912
• Total score value: -111.2658

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	-1.2677
2	V	H	-0.7851
3	Q	H	-1.8403
4	L	H	0.0000
5	Q	H	-1.8520
6	E	H	0.0000
7	S	H	-1.0021
8	G	H	-0.9816
9	G	H	-0.9473
11	G	H	-0.7330
12	S	H	-0.5930
13	V	H	-0.7423
14	Q	H	-1.6333
15	A	H	-1.6591
16	G	H	-1.3095
17	G	H	-1.0347
18	S	H	-1.0174
19	L	H	-0.7058
20	K	H	-1.3687
21	L	H	0.0000
22	S	H	-0.6291
23	C	H	0.0000
24	T	H	-1.1205
25	A	H	0.0000
26	S	H	-1.0500
27	G	H	-0.8149
28	Y	H	-0.4695
29	T	H	-0.9237
30	N	H	-1.8717
35	R	H	-2.1764
36	L	H	-0.9285
37	K	H	-1.5163
38	C	H	0.0000
39	M	H	0.0000
40	G	H	0.0000
41	W	H	0.0000
42	F	H	-0.4195
43	R	H	0.0000
44	Q	H	-1.6729
45	A	H	-1.6360
46	P	H	-1.1263
47	G	H	-1.7395
48	K	H	-2.7914
49	E	H	-3.2243
50	R	H	-2.4420
51	E	H	-1.7291
52	E	H	-1.1559
53	I	H	0.0000
54	A	H	0.0000
55	T	H	0.2185
56	I	H	0.0000
57	S	H	-1.0552
58	T	H	-1.4867
59	G	H	-1.4260
62	T	H	-1.1161
63	G	H	-1.3916
64	N	H	-1.2734
65	T	H	-0.0912
66	Y	H	0.6377
67	Y	H	-0.4599
68	A	H	-1.2293
69	D	H	-2.4273
70	S	H	-1.7890
71	V	H	0.0000
72	K	H	-2.4629
74	G	H	-1.7573
75	R	H	-1.6475
76	F	H	0.0000
77	T	H	-0.6203
78	F	H	0.0000
79	S	H	-0.6764
80	Q	H	-0.9549
81	D	H	-1.2661
82	K	H	-1.6915
83	V	H	-0.1295
84	K	H	-1.5616
85	N	H	-1.0959
86	T	H	0.0000
87	V	H	0.0000
88	Y	H	-0.2961
89	L	H	0.0000
90	Q	H	-0.9835
91	M	H	0.0000
92	N	H	-1.1664
93	T	H	-1.0885
94	L	H	0.0000
95	K	H	-2.5198
96	P	H	-1.9721
97	D	H	-2.3650
98	D	H	0.0000
99	T	H	-1.0828
100	G	H	0.0000
101	M	H	-0.3738
102	Y	H	0.0000
103	Y	H	-0.4754
104	C	H	0.0000
105	A	H	0.0000
106	A	H	0.0000
107	D	H	0.0000
108	V	H	-0.0855
109	R	H	-1.2265
110	P	H	-1.6222
111	D	H	-2.2181
111A	G	H	-1.5070
112A	T	H	-1.1423
112	T	H	-0.9222
113	C	H	-1.0763
114	H	H	-1.3318
115	Y	H	0.0000
116	N	H	-1.5040
117	S	H	-1.1858
118	G	H	-1.4527
119	G	H	-1.4051
120	Q	H	-1.6728
121	G	H	0.0000
122	T	H	-0.9012
123	Q	H	-0.9903
124	V	H	0.0000
125	T	H	-0.9127
126	V	H	0.0000
127	S	H	-1.2107
128	S	H	-0.9114