Project name: C4C4

Chain sequence(s)	H: DVQLQESGGGLVQPGGSLTLSCAASGFTFSSSQLSWVRRAPGKGLEWISAVTLVSRTHYADSVKGRFTISRDDAKNTLYLQMNSLKPEDTAMYYCVARAAWGTDYREQGYWGQGTQVTVSS
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                                        (00:00:00)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:33)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:34)

• Minimal score value: -2.8517
• Maximal score value: 1.565
• Average score: -0.7437
• Total score value: -89.9924

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	D	H	-2.0229
2	V	H	-1.0425
3	Q	H	-1.8108
4	L	H	0.0000
5	Q	H	-1.8573
6	E	H	-1.3244
7	S	H	-1.0150
8	G	H	-0.6999
9	G	H	-0.3517
11	G	H	0.2529
12	L	H	1.1355
13	V	H	-0.0197
14	Q	H	-1.3706
15	P	H	-1.6926
16	G	H	-1.4842
17	G	H	-0.9795
18	S	H	-0.8850
19	L	H	-0.0679
20	T	H	-0.3069
21	L	H	0.0000
22	S	H	-0.4407
23	C	H	0.0000
24	A	H	-1.1586
25	A	H	0.0000
26	S	H	-1.2092
27	G	H	-1.1022
28	F	H	-0.3897
29	T	H	-0.2516
30	F	H	0.0000
35	S	H	-0.1142
36	S	H	0.2149
37	S	H	-0.0155
38	Q	H	0.1223
39	L	H	0.0000
40	S	H	0.0000
41	W	H	0.0000
42	V	H	0.0000
43	R	H	0.0000
44	R	H	-1.6630
45	A	H	-1.7359
46	P	H	-1.5730
47	G	H	-1.5927
48	K	H	-2.3591
49	G	H	-1.2501
50	L	H	0.0850
51	E	H	-0.4422
52	W	H	0.2397
53	I	H	0.0000
54	S	H	0.0000
55	A	H	0.0000
56	V	H	0.0000
57	T	H	0.1227
58	L	H	1.3741
59	V	H	1.5650
63	S	H	-0.1179
64	R	H	-1.4380
65	T	H	-1.1088
66	H	H	-1.8093
67	Y	H	-1.4231
68	A	H	-1.5825
69	D	H	-2.6743
70	S	H	-1.8160
71	V	H	0.0000
72	K	H	-2.8517
74	G	H	-1.8211
75	R	H	-1.7586
76	F	H	0.0000
77	T	H	-0.7921
78	I	H	0.0000
79	S	H	-0.6050
80	R	H	-0.8543
81	D	H	-1.4732
82	D	H	-1.8927
83	A	H	-1.4764
84	K	H	-2.3753
85	N	H	-1.9196
86	T	H	-1.3595
87	L	H	0.0000
88	Y	H	-0.0191
89	L	H	0.0000
90	Q	H	-0.5312
91	M	H	0.0000
92	N	H	-1.2145
93	S	H	-1.3233
94	L	H	0.0000
95	K	H	-2.7105
96	P	H	-2.0801
97	E	H	-2.4995
98	D	H	0.0000
99	T	H	-1.0665
100	A	H	0.0000
101	M	H	-0.5629
102	Y	H	0.0000
103	Y	H	-0.2541
104	C	H	0.0000
105	V	H	0.0000
106	A	H	0.0000
107	R	H	-1.1143
108	A	H	-1.0752
109	A	H	-0.4615
110	W	H	-0.1266
111	G	H	-0.4943
111A	T	H	-0.6915
112A	D	H	-1.3797
112	Y	H	-0.6703
113	R	H	-1.7653
114	E	H	-2.5204
115	Q	H	-2.0423
116	G	H	-1.4235
117	Y	H	-0.1926
118	W	H	0.1474
119	G	H	-0.7883
120	Q	H	-1.5078
121	G	H	0.0000
122	T	H	-0.9276
123	Q	H	-0.8002
124	V	H	0.0000
125	T	H	-0.2430
126	V	H	0.0000
127	S	H	-0.8268
128	S	H	-0.5610