Project name: Alextatug

Chain sequence(s)	H: EVQLVESGGALVKPGGSLRLSCAASGFTFSKAWMSWVRQAPGKGLEWVGRIKSVTDGETTDYAAPVKGRFTISRDDSKSTLYLQMNSLKTEDTAVYYCTSSFCCRGGSCPSHDTSYCGGQYKSYYYMDVWGKGTTVTVSS; L: QSVLTQPPSASGTPGQRVTISCSGSSSNIGSSSVSWYQQLPGTAPKLLIYKNNQRPSGVPDRFSGSKSGTSASLAISGLRSEDEADYYCSTWDDSLSVRVFGGGTKLTVL
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]                                                (00:00:00)
[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 all 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                                          (00:01:08)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:10)

• Minimal score value: -2.8258
• Maximal score value: 1.3938
• Average score: -0.5889
• Total score value: -147.2138

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	-1.7012
2	V	H	-0.4669
3	Q	H	-1.1356
4	L	H	0.0000
5	V	H	-0.0460
6	E	H	0.0000
7	S	H	-0.5575
8	G	H	-0.6501
9	G	H	-0.1331
11	A	H	0.6889
12	L	H	1.2010
13	V	H	-0.2189
14	K	H	-1.8488
15	P	H	-2.0516
16	G	H	-1.5950
17	G	H	-1.3000
18	S	H	-1.2249
19	L	H	-0.7548
20	R	H	-1.5646
21	L	H	0.0000
22	S	H	-0.3805
23	C	H	0.0000
24	A	H	-0.3349
25	A	H	0.0000
26	S	H	-0.8035
27	G	H	-0.8337
28	F	H	-0.4315
29	T	H	-0.5357
30	F	H	0.0000
35	S	H	-0.7003
36	K	H	-1.3972
37	A	H	0.0000
38	W	H	-0.0950
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	-0.7617
45	A	H	-1.1796
46	P	H	-0.9642
47	G	H	-1.4582
48	K	H	-2.2418
49	G	H	-1.4761
50	L	H	0.0000
51	E	H	-0.8856
52	W	H	0.0000
53	V	H	0.0000
54	G	H	0.0000
55	R	H	-0.3854
56	I	H	0.0000
57	K	H	-0.6644
58	S	H	0.0000
59	V	H	0.7363
60	T	H	-0.0895
61	D	H	-0.6608
62	G	H	-0.4455
63	E	H	-0.4891
64	T	H	-0.4970
65	T	H	-0.4750
66	D	H	-0.5757
67	Y	H	-0.5794
68	A	H	0.0000
69	A	H	-0.4849
70	P	H	-0.9780
71	V	H	0.0000
72	K	H	-1.8754
74	G	H	-1.4540
75	R	H	-1.3725
76	F	H	0.0000
77	T	H	-0.8694
78	I	H	0.0000
79	S	H	-0.4680
80	R	H	-0.6460
81	D	H	-1.2211
82	D	H	-1.3689
83	S	H	-1.4060
84	K	H	-2.1250
85	S	H	-1.3186
86	T	H	-0.8384
87	L	H	0.0000
88	Y	H	-0.4001
89	L	H	0.0000
90	Q	H	-1.1138
91	M	H	0.0000
92	N	H	-1.3386
93	S	H	-1.4081
94	L	H	0.0000
95	K	H	-2.8258
96	T	H	-2.0991
97	E	H	-2.4694
98	D	H	0.0000
99	T	H	-0.7370
100	A	H	0.0000
101	V	H	0.0790
102	Y	H	0.0000
103	Y	H	0.0000
104	C	H	0.0000
105	T	H	0.0000
106	S	H	0.0000
107	S	H	0.0000
108	F	H	0.3778
109	C	H	-0.1504
110	C	H	-0.5792
111	R	H	-2.2687
111A	G	H	-1.4958
111B	G	H	-1.3207
111C	S	H	-0.6751
111D	C	H	-0.2340
111E	P	H	-0.8424
111F	S	H	-1.2490
111G	H	H	-1.8533
111H	D	H	-2.1234
111I	T	H	-0.8866
112I	S	H	-0.1246
112H	Y	H	0.7946
112G	C	H	0.6936
112F	G	H	-0.2337
112E	G	H	-0.7772
112D	Q	H	-1.6010
112C	Y	H	-0.6962
112B	K	H	-1.4648
112A	S	H	-0.6394
112	Y	H	-0.1090
113	Y	H	0.4231
114	Y	H	0.0000
115	M	H	0.0000
116	D	H	-0.0474
117	V	H	0.0622
118	W	H	-0.4052
119	G	H	0.0000
120	K	H	-1.6097
121	G	H	0.0000
122	T	H	0.0000
123	T	H	0.0061
124	V	H	0.0000
125	T	H	-0.1121
126	V	H	0.0000
127	S	H	-0.9697
128	S	H	-0.7015
1	Q	L	-1.0538
2	S	L	-0.4767
3	V	L	0.3709
4	L	L	0.0000
5	T	L	-0.3549
6	Q	L	-0.4130
7	P	L	-0.5780
8	P	L	-0.7848
9	S	L	-0.7831
11	A	L	-0.5258
12	S	L	-0.3565
13	G	L	0.0000
14	T	L	-0.3785
15	P	L	-1.1135
16	G	L	-1.8171
17	Q	L	-2.4403
18	R	L	-2.6116
19	V	L	0.0000
20	T	L	-0.5764
21	I	L	0.0000
22	S	L	-0.3737
23	C	L	0.0000
24	S	L	-0.3696
25	G	L	-0.2019
26	S	L	-0.5107
27	S	L	-0.8415
28	S	L	-0.8604
29	N	L	0.0000
30	I	L	0.0000
35	G	L	-0.9619
36	S	L	-0.8532
37	S	L	-0.6216
38	S	L	-0.4789
39	V	L	0.0000
40	S	L	0.0000
41	W	L	0.0000
42	Y	L	0.0000
43	Q	L	0.0000
44	Q	L	-0.6094
45	L	L	-0.4602
46	P	L	-0.4028
47	G	L	-0.4870
48	T	L	-0.6873
49	A	L	-0.7501
50	P	L	0.0000
51	K	L	-1.0657
52	L	L	0.0000
53	L	L	0.0000
54	I	L	0.0000
55	Y	L	-0.8380
56	K	L	-1.1236
57	N	L	-1.4924
65	N	L	-2.1862
66	Q	L	-2.0230
67	R	L	-2.0783
68	P	L	-0.8886
69	S	L	-0.7600
70	G	L	-0.9536
71	V	L	0.0000
72	P	L	-1.4088
74	D	L	-2.2975
75	R	L	-1.6027
76	F	L	0.0000
77	S	L	-1.3740
78	G	L	-1.2737
79	S	L	-1.1789
80	K	L	-1.2398
83	S	L	-0.8230
84	G	L	-0.8926
85	T	L	-0.7353
86	S	L	-0.7108
87	A	L	0.0000
88	S	L	-0.6250
89	L	L	0.0000
90	A	L	0.0000
91	I	L	0.0000
92	S	L	-1.8702
93	G	L	-1.8224
94	L	L	0.0000
95	R	L	-2.1209
96	S	L	-1.5958
97	E	L	-2.3683
98	D	L	0.0000
99	E	L	-1.4639
100	A	L	0.0000
101	D	L	-0.9277
102	Y	L	0.0000
103	Y	L	0.0000
104	C	L	0.0000
105	S	L	0.0000
106	T	L	0.0000
107	W	L	-0.1203
108	D	L	0.0000
109	D	L	-1.6189
110	S	L	-0.5213
113	L	L	0.6617
114	S	L	-0.0473
115	V	L	0.2330
116	R	L	0.0000
117	V	L	0.0000
118	F	L	0.0000
119	G	L	0.0000
120	G	L	-1.1162
121	G	L	0.0000
122	T	L	0.0000
123	K	L	-1.2187
124	L	L	0.0000
125	T	L	-0.1720
126	V	L	-0.0677
127	L	L	1.3938