Project name: Aldastotug

Chain sequence(s)	H: EVQLVQSGAEVKKPGESLRISCKGSGYSFTTYWISWVRQMPGKGLEWMGLIDPSDSYTNYSPSFKGHVTISTDKSISTAYLQWSSLKASDTAMYYCARGGYYGSEEDYWGQGTLVTVSS; L: EIVLTQSPGTLSLSPGERATLSCRASQSVSSSRLAWFQQKSGQAPRLLIFDASSRATGIPDRFSGSGSGTDFTLTISRLEPEDFAVYYCQQYGSSPRTFGQGTKVEFK
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]                                                (00:00:01)
[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 all 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                                          (00:01:02)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:03)

• Minimal score value: -3.243
• Maximal score value: 1.9933
• Average score: -0.5339
• Total score value: -121.1896

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	-2.0412
2	V	H	-1.0773
3	Q	H	-1.1754
4	L	H	0.0000
5	V	H	0.8078
6	Q	H	0.0000
7	S	H	-0.3648
8	G	H	-0.3385
9	A	H	0.3524
11	E	H	0.2823
12	V	H	1.1357
13	K	H	-1.0371
14	K	H	-2.4059
15	P	H	-2.2273
16	G	H	-2.0237
17	E	H	-2.3424
18	S	H	-1.8746
19	L	H	0.0000
20	R	H	-2.2338
21	I	H	0.0000
22	S	H	-0.5730
23	C	H	0.0000
24	K	H	-0.3604
25	G	H	0.0000
26	S	H	-0.6241
27	G	H	-1.1849
28	Y	H	-0.5177
29	S	H	-0.2624
30	F	H	0.0000
35	T	H	-0.6909
36	T	H	0.2341
37	Y	H	0.8480
38	W	H	0.8666
39	I	H	0.0000
40	S	H	0.0000
41	W	H	0.0000
42	V	H	0.0000
43	R	H	-0.4384
44	Q	H	-0.6927
45	M	H	-0.6452
46	P	H	-0.8185
47	G	H	-1.3886
48	K	H	-2.2897
49	G	H	-1.4650
50	L	H	0.0000
51	E	H	-0.8359
52	W	H	0.0000
53	M	H	0.0000
54	G	H	0.0000
55	L	H	0.0000
56	I	H	0.0000
57	D	H	-0.1311
58	P	H	0.0000
59	S	H	-1.1343
62	D	H	-1.7111
63	S	H	-0.6651
64	Y	H	0.5873
65	T	H	0.2367
66	N	H	-0.2566
67	Y	H	-0.7153
68	S	H	0.0000
69	P	H	-1.2234
70	S	H	-0.9130
71	F	H	0.0000
72	K	H	-2.1354
74	G	H	-1.4953
75	H	H	-1.1849
76	V	H	0.0000
77	T	H	-0.9455
78	I	H	0.0000
79	S	H	-0.4518
80	T	H	-0.6535
81	D	H	-0.7908
82	K	H	-1.1200
83	S	H	-0.0140
84	I	H	0.9940
85	S	H	-0.1217
86	T	H	0.0000
87	A	H	0.0000
88	Y	H	-0.7807
89	L	H	0.0000
90	Q	H	-1.5586
91	W	H	0.0000
92	S	H	-1.1278
93	S	H	-1.4465
94	L	H	0.0000
95	K	H	-2.0418
96	A	H	-1.1746
97	S	H	-0.6040
98	D	H	0.0000
99	T	H	-0.0068
100	A	H	0.0000
101	M	H	0.3439
102	Y	H	0.0000
103	Y	H	0.0000
104	C	H	0.0000
105	A	H	0.0000
106	R	H	0.0000
107	G	H	0.0000
108	G	H	1.0081
109	Y	H	1.9933
110	Y	H	1.9203
112	G	H	0.0000
113	S	H	0.0000
114	E	H	-0.1575
115	E	H	0.0000
116	D	H	-0.4134
117	Y	H	-0.4026
118	W	H	0.0000
119	G	H	0.0000
120	Q	H	-1.1006
121	G	H	0.0000
122	T	H	0.0000
123	L	H	0.8832
124	V	H	0.0000
125	T	H	0.2325
126	V	H	0.0000
127	S	H	-0.9281
128	S	H	-1.0089
1	E	L	-1.6469
2	I	L	0.0000
3	V	L	0.5793
4	L	L	0.0000
5	T	L	-0.7773
6	Q	L	0.0000
7	S	L	-0.9514
8	P	L	-0.6012
9	G	L	-0.9843
10	T	L	-0.7031
11	L	L	-0.2323
12	S	L	-0.2109
13	L	L	-0.4816
14	S	L	-0.8823
15	P	L	-1.3338
16	G	L	-1.9633
17	E	L	-2.6426
18	R	L	-3.1127
19	A	L	0.0000
20	T	L	-0.6715
21	L	L	0.0000
22	S	L	-0.9237
23	C	L	0.0000
24	R	L	-2.3377
25	A	L	0.0000
26	S	L	-1.0518
27	Q	L	-1.7461
28	S	L	-1.3816
29	V	L	0.0000
30	S	L	-0.7379
36	S	L	-0.6622
37	S	L	-0.9141
38	R	L	-0.7180
39	L	L	0.0000
40	A	L	0.0000
41	W	L	0.0000
42	F	L	0.0000
43	Q	L	0.0000
44	Q	L	0.0000
45	K	L	-1.3495
46	S	L	-1.0031
47	G	L	-1.4062
48	Q	L	-2.0257
49	A	L	-1.3078
50	P	L	0.0000
51	R	L	-1.2476
52	L	L	0.0000
53	L	L	0.0000
54	I	L	0.0000
55	F	L	-0.3004
56	D	L	-1.0489
57	A	L	0.0000
65	S	L	-0.7473
66	S	L	-0.6301
67	R	L	-1.0910
68	A	L	-0.5477
69	T	L	-0.4402
70	G	L	-0.6960
71	I	L	-0.7519
72	P	L	-1.1697
74	D	L	-2.3096
75	R	L	-1.9554
76	F	L	0.0000
77	S	L	-0.8748
78	G	L	-0.5121
79	S	L	-0.7566
80	G	L	-1.1590
83	S	L	-1.2087
84	G	L	-1.2720
85	T	L	-1.7567
86	D	L	-2.1734
87	F	L	0.0000
88	T	L	-0.7744
89	L	L	0.0000
90	T	L	-0.8461
91	I	L	0.0000
92	S	L	-2.3967
93	R	L	-3.2430
94	L	L	0.0000
95	E	L	-1.6200
96	P	L	-0.9276
97	E	L	-1.8619
98	D	L	0.0000
99	F	L	-0.1676
100	A	L	0.0000
101	V	L	-0.1420
102	Y	L	0.0000
103	Y	L	0.0000
104	C	L	0.0000
105	Q	L	0.0000
106	Q	L	0.0000
107	Y	L	0.0000
108	G	L	-0.3888
109	S	L	-0.6517
114	S	L	-0.6916
115	P	L	-0.6835
116	R	L	0.0000
117	T	L	-0.1321
118	F	L	0.0941
119	G	L	0.0000
120	Q	L	-1.4123
121	G	L	0.0000
122	T	L	0.0000
123	K	L	-0.9658
124	V	L	0.0000
125	E	L	0.0343
126	F	L	0.8725
127	K	L	-0.8371