Project name: AMK70585_AMK70586

Chain sequence(s)	H: EVQLLESGGGLVQPGGSLRLSCAASGFTFNRYTMNWVRQAPGKGLEWLSYITSSGSTKSYADSVKGRFTISRDNAKKSLYLQMNGLRDEDTAVYYCASGLRDLGVLLVPADYDGMDVWGQGTTVTVSS
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]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with H chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:33)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:34)

• Minimal score value: -3.8671
• Maximal score value: 3.1319
• Average score: -0.6051
• Total score value: -77.4526

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	-1.5693
2	V	H	-0.1574
3	Q	H	-0.1862
4	L	H	0.0000
5	L	H	0.5859
6	E	H	-0.0982
7	S	H	-0.5485
8	G	H	-0.8215
9	G	H	-0.3341
11	G	H	0.3123
12	L	H	1.1755
13	V	H	-0.2933
14	Q	H	-1.7149
15	P	H	-2.2721
16	G	H	-1.8612
17	G	H	-1.1379
18	S	H	-1.1829
19	L	H	-0.4738
20	R	H	-1.2592
21	L	H	0.0000
22	S	H	-0.3495
23	C	H	0.0000
24	A	H	-0.2381
25	A	H	0.0000
26	S	H	-0.3765
27	G	H	-0.7400
28	F	H	-0.7193
29	T	H	-1.1285
30	F	H	0.0000
35	N	H	-2.6918
36	R	H	-2.8275
37	Y	H	0.0000
38	T	H	-0.6721
39	M	H	0.0000
40	N	H	0.0000
41	W	H	0.0000
42	V	H	0.0000
43	R	H	0.0000
44	Q	H	-0.4749
45	A	H	-1.1140
46	P	H	-1.1005
47	G	H	-1.3956
48	K	H	-2.0440
49	G	H	-0.8486
50	L	H	0.6757
51	E	H	-0.0258
52	W	H	0.5657
53	L	H	0.0000
54	S	H	0.0000
55	Y	H	0.1145
56	I	H	0.0000
57	T	H	-0.7989
58	S	H	-1.3976
59	S	H	-1.0509
62	G	H	-0.7890
63	S	H	-0.5948
64	T	H	-0.6560
65	K	H	-0.9514
66	S	H	-0.8014
67	Y	H	-1.0475
68	A	H	-1.2922
69	D	H	-2.5333
70	S	H	-1.8180
71	V	H	0.0000
72	K	H	-2.7035
74	G	H	-1.8500
75	R	H	-1.7180
76	F	H	0.0000
77	T	H	-0.8717
78	I	H	0.0000
79	S	H	-0.3986
80	R	H	-1.0136
81	D	H	-1.5236
82	N	H	-2.0589
83	A	H	-1.4763
84	K	H	-2.3362
85	K	H	-1.9267
86	S	H	-1.1619
87	L	H	0.0000
88	Y	H	-0.3352
89	L	H	0.0000
90	Q	H	-0.8009
91	M	H	0.0000
92	N	H	-1.4923
93	G	H	-1.5876
94	L	H	0.0000
95	R	H	-3.8671
96	D	H	-3.8400
97	E	H	-3.3556
98	D	H	0.0000
99	T	H	-1.3583
100	A	H	0.0000
101	V	H	0.1113
102	Y	H	0.0000
103	Y	H	0.2979
104	C	H	0.0000
105	A	H	0.0000
106	S	H	0.0000
107	G	H	0.0000
108	L	H	-1.1148
109	R	H	-2.2399
110	D	H	-1.6141
111	L	H	0.3068
111A	G	H	1.3208
111B	V	H	2.5669
111C	L	H	3.1319
111D	L	H	2.9496
112D	V	H	2.3236
112C	P	H	0.5337
112B	A	H	-0.2614
112A	D	H	-0.4453
112	Y	H	-0.7044
113	D	H	-2.1385
114	G	H	-0.9811
115	M	H	-0.3011
116	D	H	-0.7536
117	V	H	0.3611
118	W	H	0.3672
119	G	H	0.0027
120	Q	H	-0.9503
121	G	H	-0.4297
122	T	H	-0.3434
123	T	H	-0.1233
124	V	H	0.0000
125	T	H	-0.4815
126	V	H	0.0000
127	S	H	-1.4067
128	S	H	-0.8024