Project name: ee98321b375957a

Chain sequence(s)	H: EVQLVESGGGLVKPGGSLRLSCAASGFTFSSYAMHWVRQAPGKGLEWVGRIKSKAQGGTTDYAAHVKGRFTISRDDSKNTLYLQMNSLKTEDTAVYYCARVSFSTFDVWGQGTLVTVSS; L: QSVLTQPPSVSGAPGQRVTISCSGSSSNIGSYYVSWYQQLPGTAPKVLIYRNNQRPSGVPDRFSGSKSGTSASLAITGLQAEDEADYYCDSWDHSSMNVFGGGTKLTVL
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                                          (00:01:32)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:34)

• Minimal score value: -2.8402
• Maximal score value: 1.799
• Average score: -0.5778
• Total score value: -131.7481

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	-1.7364
2	V	H	-0.5285
3	Q	H	-1.1500
4	L	H	0.0000
5	V	H	0.0160
6	E	H	0.0000
7	S	H	-0.3580
8	G	H	-0.4854
9	G	H	0.2053
11	G	H	0.8044
12	L	H	1.2858
13	V	H	-0.2977
14	K	H	-1.8742
15	P	H	-2.1189
16	G	H	-1.6095
17	G	H	-1.3041
18	S	H	-1.2744
19	L	H	-0.8794
20	R	H	-1.7587
21	L	H	0.0000
22	S	H	-0.4509
23	C	H	0.0000
24	A	H	-0.4832
25	A	H	0.0000
26	S	H	-0.9779
27	G	H	-0.9042
28	F	H	-0.3465
29	T	H	-0.1471
30	F	H	0.0000
35	S	H	-0.9417
36	S	H	-0.6639
37	Y	H	-0.0212
38	A	H	-0.3200
39	M	H	0.0000
40	H	H	0.0000
41	W	H	0.0000
42	V	H	0.0000
43	R	H	0.0000
44	Q	H	-0.6971
45	A	H	-1.0525
46	P	H	-0.7980
47	G	H	-1.4460
48	K	H	-2.2838
49	G	H	-1.5444
50	L	H	0.0000
51	E	H	-1.1869
52	W	H	0.0000
53	V	H	0.0000
54	G	H	0.0000
55	R	H	-0.4296
56	I	H	0.0000
57	K	H	-1.3070
58	S	H	0.0000
59	K	H	-2.4643
60	A	H	-1.5516
61	Q	H	-2.0742
62	G	H	-1.7347
63	G	H	-1.5914
64	T	H	-0.9815
65	T	H	-0.4376
66	D	H	-0.6168
67	Y	H	-0.8545
68	A	H	-0.9138
69	A	H	-1.1056
70	H	H	-1.7360
71	V	H	0.0000
72	K	H	-2.2923
74	G	H	-1.6546
75	R	H	-1.6821
76	F	H	0.0000
77	T	H	-0.9486
78	I	H	0.0000
79	S	H	-0.4844
80	R	H	-1.1907
81	D	H	-1.5208
82	D	H	-2.0135
83	S	H	-1.6439
84	K	H	-2.4626
85	N	H	-1.9166
86	T	H	-1.1721
87	L	H	0.0000
88	Y	H	-0.4952
89	L	H	0.0000
90	Q	H	-1.1996
91	M	H	0.0000
92	N	H	-1.3932
93	S	H	-1.4088
94	L	H	0.0000
95	K	H	-2.8402
96	T	H	-2.0950
97	E	H	-2.5450
98	D	H	0.0000
99	T	H	-0.4567
100	A	H	0.0000
101	V	H	0.7602
102	Y	H	0.0000
103	Y	H	0.0000
104	C	H	0.0000
105	A	H	0.0000
106	R	H	0.0545
107	V	H	0.0000
108	S	H	0.8324
109	F	H	1.7990
113	S	H	1.0490
114	T	H	0.0000
115	F	H	0.0000
116	D	H	-0.3840
117	V	H	-0.2021
118	W	H	-0.3739
119	G	H	0.0000
120	Q	H	-1.0420
121	G	H	-0.0887
122	T	H	0.4506
123	L	H	1.5471
124	V	H	0.0000
125	T	H	0.1580
126	V	H	0.0000
127	S	H	-0.9631
128	S	H	-0.6429
1	Q	L	-0.8224
2	S	L	-0.2100
3	V	L	0.8824
4	L	L	0.0000
5	T	L	-0.1435
6	Q	L	-0.4314
7	P	L	-0.5526
8	P	L	-0.7862
9	S	L	-0.7697
11	V	L	-0.3403
12	S	L	-0.2654
13	G	L	-0.4100
14	A	L	-0.3080
15	P	L	-0.9862
16	G	L	-1.8312
17	Q	L	-2.3960
18	R	L	-2.6848
19	V	L	0.0000
20	T	L	-0.5088
21	I	L	0.0000
22	S	L	-0.3336
23	C	L	0.0000
24	S	L	-0.2610
25	G	L	-0.0223
26	S	L	-0.2276
27	S	L	-0.6185
28	S	L	-0.6175
29	N	L	0.0000
30	I	L	0.0000
35	G	L	-0.3992
36	S	L	-0.1553
37	Y	L	0.5704
38	Y	L	0.9362
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	-0.6968
45	L	L	-0.6055
46	P	L	-0.4549
47	G	L	-0.6546
48	T	L	-0.6404
49	A	L	-0.6271
50	P	L	0.0000
51	K	L	-1.1385
52	V	L	0.0000
53	L	L	0.0000
54	I	L	0.0000
55	Y	L	-0.5290
56	R	L	-0.7304
57	N	L	-1.1911
65	N	L	-2.1269
66	Q	L	-1.9986
67	R	L	-2.1305
68	P	L	-1.0474
69	S	L	-0.7853
70	G	L	-0.9622
71	V	L	0.0000
72	P	L	-1.4076
74	D	L	-2.2309
75	R	L	-1.5351
76	F	L	0.0000
77	S	L	-1.3333
78	G	L	-1.2984
79	S	L	-1.2192
80	K	L	-1.1890
83	S	L	-0.8866
84	G	L	-0.8996
85	T	L	-0.6926
86	S	L	-0.7147
87	A	L	0.0000
88	S	L	-0.6094
89	L	L	0.0000
90	A	L	-0.5622
91	I	L	0.0000
92	T	L	-1.8675
93	G	L	-1.8778
94	L	L	0.0000
95	Q	L	-1.6356
96	A	L	-1.1113
97	E	L	-1.9912
98	D	L	0.0000
99	E	L	-1.2537
100	A	L	0.0000
101	D	L	-1.0785
102	Y	L	0.0000
103	Y	L	0.0000
104	C	L	0.0000
105	D	L	0.0000
106	S	L	0.0000
107	W	L	0.2802
108	D	L	0.0000
109	H	L	-1.0701
113	S	L	-0.6762
114	S	L	-0.3193
115	M	L	-0.0788
116	N	L	0.0000
117	V	L	0.1890
118	F	L	0.0000
119	G	L	0.0000
120	G	L	-0.9756
121	G	L	0.0000
122	T	L	0.0000
123	K	L	-1.4390
124	L	L	0.0000
125	T	L	-0.0472
126	V	L	0.0877
127	L	L	1.2965