Project name: S44

Chain sequence(s)	H: DVQLQESGGGLVQPGGSLRLSCAASGFPFNIAAMSWVRQAPGKGLEWVSTINKDGDTYYVDSVKGRFTISRDNAKDTLYLELNGLKPEDTAMYYCALLRGTRGPSNANSPDVNYRGQGTQVTVSS
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                                          (00:00:50)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:50)

• Minimal score value: -3.1485
• Maximal score value: 1.1524
• Average score: -0.9508
• Total score value: -118.8544

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	-2.0590
2	V	H	-1.5509
3	Q	H	-1.8832
4	L	H	0.0000
5	Q	H	-1.5268
6	E	H	0.0000
7	S	H	-0.9279
8	G	H	-0.8398
9	G	H	-0.4432
11	G	H	0.2901
12	L	H	1.1524
13	V	H	-0.0242
14	Q	H	-1.3821
15	P	H	-1.8218
16	G	H	-1.4340
17	G	H	-0.9911
18	S	H	-1.1463
19	L	H	-0.4498
20	R	H	-1.2121
21	L	H	0.0000
22	S	H	-0.5704
23	C	H	0.0000
24	A	H	-1.0713
25	A	H	-1.2696
26	S	H	-1.3480
27	G	H	-1.4386
28	F	H	-0.8748
29	P	H	-0.7145
30	F	H	0.0000
35	N	H	-1.4603
36	I	H	-0.4770
37	A	H	-1.2147
38	A	H	-1.2685
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	-0.7512
45	A	H	0.0000
46	P	H	-0.8345
47	G	H	-1.0418
48	K	H	-1.2847
49	G	H	-0.8534
50	L	H	-0.0855
51	E	H	-0.3011
52	W	H	0.0477
53	V	H	0.0000
54	S	H	0.0000
55	T	H	0.0000
56	I	H	0.0000
57	N	H	-1.9230
58	K	H	-2.7441
59	D	H	-3.1485
63	G	H	-2.6157
64	D	H	-2.5040
65	T	H	-0.7763
66	Y	H	0.4791
67	Y	H	-0.2035
68	V	H	-0.8095
69	D	H	-2.2700
70	S	H	-1.8334
71	V	H	0.0000
72	K	H	-2.4115
74	G	H	-1.8138
75	R	H	-1.7020
76	F	H	0.0000
77	T	H	-0.6588
78	I	H	0.0000
79	S	H	-0.8297
80	R	H	-1.7429
81	D	H	-2.6939
82	N	H	-2.9354
83	A	H	-2.0454
84	K	H	-2.9053
85	D	H	-2.7379
86	T	H	0.0000
87	L	H	0.0000
88	Y	H	-0.4864
89	L	H	0.0000
90	E	H	-1.0295
91	L	H	0.0000
92	N	H	-1.4823
93	G	H	-1.4209
94	L	H	0.0000
95	K	H	-2.4540
96	P	H	-1.9576
97	E	H	-2.3643
98	D	H	0.0000
99	T	H	-0.8367
100	A	H	0.0000
101	M	H	-0.2822
102	Y	H	0.0000
103	Y	H	0.0000
104	C	H	0.0000
105	A	H	0.0000
106	L	H	0.0000
107	L	H	-1.3198
108	R	H	-2.2024
109	G	H	-1.7869
110	T	H	-1.6608
111	R	H	-2.5538
111A	G	H	-1.8401
111B	P	H	-1.4923
111C	S	H	-1.5143
112C	N	H	-1.9550
112B	A	H	-1.2301
112A	N	H	-1.7319
112	S	H	-1.0201
113	P	H	-0.9299
114	D	H	-1.4825
115	V	H	-1.0963
116	N	H	-1.4518
117	Y	H	-1.1318
118	R	H	-1.3873
119	G	H	0.0000
120	Q	H	-1.5692
121	G	H	-1.0893
122	T	H	0.0000
123	Q	H	-0.5892
124	V	H	0.0000
125	T	H	-0.1731
126	V	H	0.0000
127	S	H	-0.7879
128	S	H	-0.6573