Project name: 8bf93b23a8d2201

Chain sequence(s)	H: QVQLVQSGSELKKPGASVKVSCKASGYTFTDYSMHWVRQAPGQGLEWMGWINPGTGEPTYAQGFTGRFVFSLDTSVSTAYLQISSLKAEDTAVYFCARGVIIAYWGQGTLVTVSS; L: DIVMTQTPLSLSVTPGQPASISCKSSQSIVHSNGNTYLEWYLQKPGQSPQLLIYKVSNRFSGVPDRFSGSGSGTDFTLKISRVEAEDVGVYYCFQDSHVPYTFGQGTKLEIK
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                                          (00:01:11)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:12)

• Minimal score value: -3.029
• Maximal score value: 2.0381
• Average score: -0.5079
• Total score value: -115.286

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	Q	H	-1.4843
2	V	H	-0.8914
3	Q	H	-1.2141
4	L	H	0.0000
5	V	H	0.0562
6	Q	H	0.0000
7	S	H	-0.5245
8	G	H	-0.5758
9	S	H	0.0346
11	E	H	0.0034
12	L	H	0.7755
13	K	H	-0.9753
14	K	H	-2.1416
15	P	H	-2.0522
16	G	H	-1.4698
17	A	H	-1.2226
18	S	H	-1.2074
19	V	H	0.0000
20	K	H	-1.3452
21	V	H	0.0000
22	S	H	-0.5110
23	C	H	0.0000
24	K	H	-0.6226
25	A	H	0.0000
26	S	H	-0.7149
27	G	H	-1.0407
28	Y	H	-0.5925
29	T	H	-0.4758
30	F	H	0.0000
35	T	H	-1.0031
36	D	H	-1.6038
37	Y	H	0.0722
38	S	H	0.0459
39	M	H	0.0000
40	H	H	0.0000
41	W	H	0.0000
42	V	H	0.0000
43	R	H	-0.3776
44	Q	H	-0.6020
45	A	H	-0.9308
46	P	H	-0.7510
47	G	H	-1.2096
48	Q	H	-1.8060
49	G	H	-1.2237
50	L	H	0.0000
51	E	H	-0.7978
52	W	H	0.0000
53	M	H	0.0000
54	G	H	0.0000
55	W	H	-0.0650
56	I	H	0.0000
57	N	H	-1.0198
58	P	H	0.0000
59	G	H	-1.1065
62	T	H	-0.8630
63	G	H	-1.0789
64	E	H	-1.5635
65	P	H	-0.5516
66	T	H	0.0079
67	Y	H	0.2751
68	A	H	0.0000
69	Q	H	-1.4037
70	G	H	-1.0751
71	F	H	-0.4665
72	T	H	-0.5559
74	G	H	-0.6134
75	R	H	-0.4945
76	F	H	0.0000
77	V	H	0.8234
78	F	H	0.0000
79	S	H	-0.1282
80	L	H	-0.2569
81	D	H	-0.4154
82	T	H	-0.2520
83	S	H	0.1426
84	V	H	0.6817
85	S	H	-0.0029
86	T	H	0.0000
87	A	H	0.0000
88	Y	H	-0.1813
89	L	H	0.0000
90	Q	H	-0.6168
91	I	H	0.0000
92	S	H	-0.7987
93	S	H	-1.0965
94	L	H	0.0000
95	K	H	-2.2818
96	A	H	-1.7906
97	E	H	-2.1893
98	D	H	0.0000
99	T	H	-0.5565
100	A	H	0.0000
101	V	H	0.4600
102	Y	H	0.0000
103	F	H	0.0000
104	C	H	0.0000
105	A	H	0.0000
106	R	H	0.0000
107	G	H	0.0000
108	V	H	2.0381
114	I	H	1.5350
115	I	H	0.0000
116	A	H	0.5971
117	Y	H	0.1551
118	W	H	-0.2244
119	G	H	0.0000
120	Q	H	-1.2241
121	G	H	-0.5005
122	T	H	0.0000
123	L	H	0.8035
124	V	H	0.0000
125	T	H	-0.1211
126	V	H	0.0000
127	S	H	-0.8770
128	S	H	-0.8820
1	D	L	-1.3910
2	I	L	0.0000
3	V	L	0.7164
4	M	L	0.0000
5	T	L	-0.3223
6	Q	L	0.0000
7	T	L	-0.0056
8	P	L	0.4539
9	L	L	1.1172
10	S	L	0.0928
11	L	L	0.0220
12	S	L	-0.7848
13	V	L	0.0000
14	T	L	-1.5860
15	P	L	-1.6543
16	G	L	-1.7635
17	Q	L	-2.1752
18	P	L	-1.8802
19	A	L	0.0000
20	S	L	-0.6670
21	I	L	0.0000
22	S	L	-0.8919
23	C	L	0.0000
24	K	L	-1.9350
25	S	L	0.0000
26	S	L	-0.9317
27	Q	L	-1.5576
28	S	L	-0.9469
29	I	L	0.0000
30	V	L	0.2943
31	H	L	-0.5749
32	S	L	-0.9430
34	N	L	-1.5951
35	G	L	-1.0891
36	N	L	-0.9206
37	T	L	-0.3231
38	Y	L	0.3097
39	L	L	0.0000
40	E	L	0.0000
41	W	L	0.0000
42	Y	L	0.0000
43	L	L	0.0000
44	Q	L	-0.9844
45	K	L	-1.4606
46	P	L	-0.9905
47	G	L	-1.4343
48	Q	L	-2.0097
49	S	L	-1.2997
50	P	L	0.0000
51	Q	L	-1.0049
52	L	L	0.0000
53	L	L	0.0000
54	I	L	0.0000
55	Y	L	-0.1506
56	K	L	-0.5672
57	V	L	-0.4985
65	S	L	-0.7672
66	N	L	-1.1711
67	R	L	-1.6553
68	F	L	-0.5685
69	S	L	-0.5673
70	G	L	-0.8139
71	V	L	-0.9610
72	P	L	-1.2322
74	D	L	-2.3782
75	R	L	-2.0513
76	F	L	0.0000
77	S	L	-1.2383
78	G	L	0.0000
79	S	L	-0.7234
80	G	L	-0.9922
83	S	L	-0.7840
84	G	L	-0.8763
85	T	L	-1.5049
86	D	L	-2.1198
87	F	L	0.0000
88	T	L	-0.9018
89	L	L	0.0000
90	K	L	-1.4085
91	I	L	0.0000
92	S	L	-2.1304
93	R	L	-3.0290
94	V	L	0.0000
95	E	L	-2.1171
96	A	L	-1.3041
97	E	L	-1.8129
98	D	L	0.0000
99	V	L	-0.5612
100	G	L	0.0000
101	V	L	-0.2673
102	Y	L	0.0000
103	Y	L	0.0000
104	C	L	0.0000
105	F	L	0.0000
106	Q	L	0.0000
107	D	L	0.0000
108	S	L	0.0000
109	H	L	-0.0519
114	V	L	1.0468
115	P	L	0.1986
116	Y	L	0.4279
117	T	L	0.1167
118	F	L	0.0000
119	G	L	0.0000
120	Q	L	-0.6334
121	G	L	0.0000
122	T	L	0.0000
123	K	L	-0.6664
124	L	L	0.0000
125	E	L	-1.3665
126	I	L	-1.0452
127	K	L	-1.9293