Project name: d89977993a86569

Chain sequence(s)	H: QVQLVQSGAEVKKPGASVKVSCKASGYTFTGYWMNWVRQAPGQGLEWMGDIYPGSGNTNYDEKFQGRVTMTRDTSISTAYMELSRLRSDDTAVYYCARGGYYEDFDSWGQGTTVTVSS; L: DIQMTQSPSFLSASVGDRVTITCRASQGIISYLAWYQQKPEKAPKRLIYAASSLQSGVPSRFSGSGSGTEFTLTISSLQPEDFATYYCGQYANYPYTFGQGTKLEIK
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                                          (00:02:04)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:06)

• Minimal score value: -3.4169
• Maximal score value: 1.8336
• Average score: -0.5113
• Total score value: -115.0518

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	-1.4143
2	V	H	-0.9085
3	Q	H	-1.2095
4	L	H	0.0000
5	V	H	0.2616
6	Q	H	0.0000
7	S	H	-0.6392
8	G	H	-0.6064
9	A	H	-0.0518
11	E	H	-0.1625
12	V	H	0.8975
13	K	H	-0.8958
14	K	H	-2.3254
15	P	H	-2.5667
16	G	H	-2.2449
17	A	H	-1.7481
18	S	H	-1.8295
19	V	H	0.0000
20	K	H	-2.0650
21	V	H	0.0000
22	S	H	-0.7295
23	C	H	0.0000
24	K	H	-0.8215
25	A	H	0.0000
26	S	H	-0.6055
27	G	H	-0.9313
28	Y	H	-0.3212
29	T	H	-0.0626
30	F	H	0.0000
35	T	H	-0.0482
36	G	H	0.2360
37	Y	H	0.7471
38	W	H	0.6136
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	-0.5802
45	A	H	-1.0144
46	P	H	-1.0321
47	G	H	-1.2108
48	Q	H	-1.8257
49	G	H	-1.2648
50	L	H	0.0000
51	E	H	-0.8155
52	W	H	0.0000
53	M	H	0.0000
54	G	H	0.0000
55	D	H	0.0000
56	I	H	0.0000
57	Y	H	-0.2281
58	P	H	0.0000
59	G	H	-0.5556
62	S	H	-0.7377
63	G	H	-0.9981
64	N	H	-1.4005
65	T	H	-0.7153
66	N	H	-0.8159
67	Y	H	-1.1364
68	D	H	-2.0838
69	E	H	-3.4169
70	K	H	-3.0921
71	F	H	0.0000
72	Q	H	-2.7553
74	G	H	-1.8792
75	R	H	-1.9111
76	V	H	0.0000
77	T	H	-0.8206
78	M	H	0.0000
79	T	H	-0.8412
80	R	H	-0.8686
81	D	H	-0.6962
82	T	H	-0.2835
83	S	H	0.3055
84	I	H	1.0670
85	S	H	0.0215
86	T	H	0.0000
87	A	H	0.0000
88	Y	H	-0.8930
89	M	H	0.0000
90	E	H	-1.4510
91	L	H	0.0000
92	S	H	-1.8845
93	R	H	-2.8298
94	L	H	0.0000
95	R	H	-3.4065
96	S	H	-2.3748
97	D	H	-2.5561
98	D	H	0.0000
99	T	H	-0.9010
100	A	H	0.0000
101	V	H	-0.0178
102	Y	H	0.0000
103	Y	H	0.0000
104	C	H	0.0000
105	A	H	0.0000
106	R	H	-0.1259
107	G	H	0.0000
108	G	H	0.0000
109	Y	H	1.8336
110	Y	H	1.7038
113	E	H	0.7067
114	D	H	0.1526
115	F	H	0.0000
116	D	H	-0.7229
117	S	H	-0.6923
118	W	H	-0.6506
119	G	H	0.0000
120	Q	H	-1.5945
121	G	H	-0.8994
122	T	H	0.0000
123	T	H	-0.0008
124	V	H	0.0000
125	T	H	-0.3199
126	V	H	0.0000
127	S	H	-1.1530
128	S	H	-0.7862
1	D	L	-2.5396
2	I	L	0.0000
3	Q	L	-2.2714
4	M	L	0.0000
5	T	L	-1.4184
6	Q	L	0.0000
7	S	L	-0.3147
8	P	L	0.3077
9	S	L	0.3890
10	F	L	1.5364
11	L	L	0.8702
12	S	L	0.1313
13	A	L	0.0000
14	S	L	0.0280
15	V	L	0.7472
16	G	L	-0.4111
17	D	L	-1.3918
18	R	L	-2.0619
19	V	L	0.0000
20	T	L	-0.5501
21	I	L	0.0000
22	T	L	-0.7919
23	C	L	0.0000
24	R	L	-2.7585
25	A	L	0.0000
26	S	L	-1.9490
27	Q	L	-1.7326
28	G	L	-0.5896
29	I	L	0.0000
36	I	L	1.7419
37	S	L	0.8979
38	Y	L	1.1276
39	L	L	0.0000
40	A	L	0.0000
41	W	L	0.0000
42	Y	L	0.0000
43	Q	L	-0.8461
44	Q	L	0.0000
45	K	L	-1.9903
46	P	L	-1.8883
47	E	L	-2.9656
48	K	L	-3.2026
49	A	L	-1.8743
50	P	L	0.0000
51	K	L	-1.4823
52	R	L	0.0000
53	L	L	0.0000
54	I	L	0.0000
55	Y	L	0.3048
56	A	L	0.4521
57	A	L	0.0000
65	S	L	-0.1666
66	S	L	0.0785
67	L	L	0.2172
68	Q	L	-0.3673
69	S	L	-0.4912
70	G	L	-0.5983
71	V	L	0.0000
72	P	L	-0.4068
74	S	L	-0.4416
75	R	L	-0.7012
76	F	L	0.0000
77	S	L	-0.3171
78	G	L	-0.2434
79	S	L	-0.6586
80	G	L	-0.7019
83	S	L	-0.2656
84	G	L	-0.3028
85	T	L	-1.3671
86	E	L	-1.8789
87	F	L	0.0000
88	T	L	-0.7370
89	L	L	0.0000
90	T	L	-0.5897
91	I	L	0.0000
92	S	L	-1.2112
93	S	L	-0.9768
94	L	L	0.0000
95	Q	L	-0.7382
96	P	L	-0.6696
97	E	L	-1.8791
98	D	L	0.0000
99	F	L	-0.2219
100	A	L	0.0000
101	T	L	-0.4326
102	Y	L	0.0000
103	Y	L	0.0000
104	C	L	0.0000
105	G	L	0.0000
106	Q	L	0.0000
107	Y	L	0.0000
108	A	L	0.1188
109	N	L	-1.0147
114	Y	L	-0.6455
115	P	L	-1.0659
116	Y	L	0.0000
117	T	L	-0.7900
118	F	L	-0.3606
119	G	L	0.0000
120	Q	L	-1.5090
121	G	L	0.0000
122	T	L	0.0000
123	K	L	-0.3128
124	L	L	0.0000
125	E	L	0.4086
126	I	L	1.2191
127	K	L	-0.6545