Project name: 4R7D

Chain sequence(s)	H: QVQLQESGPGLVKPSDTLSLTCAVSGYSITGGYSWHWIRQPPGKGLEWMGYIHYSGYTDFNPSLKTRITISRDTSKNQFSLKLSSVTAVDTAVYYCARKDPSDAFPYWGQGTLVTVSS; L: EIVLTQSPDFQSVTPKEKVTITCRASQSISDHLHWYQQKPDQSPKLLIKYASHAISGVPSRFSGSGSGTDFTLTINSLEAEDAATYYCQQGHSFPLTFGGGTKVEIK
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                                          (00:00:56)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:57)

• Minimal score value: -3.8255
• Maximal score value: 1.7456
• Average score: -0.5917
• Total score value: -133.133

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	-1.4865
2	V	H	0.0000
3	Q	H	-1.6756
4	L	H	0.0000
5	Q	H	-1.7956
6	E	H	0.0000
7	S	H	-0.7427
8	G	H	-0.4959
9	P	H	-0.1871
11	G	H	0.1224
12	L	H	0.3628
13	V	H	0.0000
14	K	H	-1.4963
15	P	H	-1.2280
16	S	H	-1.1763
17	D	H	-1.5716
18	T	H	-1.1975
19	L	H	0.0000
20	S	H	-0.8838
21	L	H	0.0000
22	T	H	-0.7839
23	C	H	0.0000
24	A	H	-1.2069
25	V	H	0.0000
26	S	H	-1.2920
27	G	H	-1.0349
28	Y	H	-0.4215
29	S	H	-0.4163
30	I	H	0.0000
31	T	H	-0.1462
35	G	H	-0.2906
36	G	H	0.0279
37	Y	H	0.2055
38	S	H	0.0000
39	W	H	0.0000
40	H	H	0.0000
41	W	H	0.0000
42	I	H	0.0000
43	R	H	0.0000
44	Q	H	-0.6361
45	P	H	-0.4406
46	P	H	-0.7147
47	G	H	-1.4950
48	K	H	-2.2597
49	G	H	-1.4009
50	L	H	0.0000
51	E	H	-0.7293
52	W	H	0.0000
53	M	H	0.0000
54	G	H	0.0000
55	Y	H	0.1782
56	I	H	0.0000
57	H	H	0.3053
58	Y	H	0.5369
59	S	H	0.2756
63	G	H	0.3418
64	Y	H	1.0896
65	T	H	0.4013
66	D	H	-0.0753
67	F	H	-0.1777
68	N	H	-0.5665
69	P	H	-0.8135
70	S	H	-0.6762
71	L	H	0.0000
72	K	H	-1.2439
74	T	H	-0.7809
75	R	H	-0.9923
76	I	H	0.0000
77	T	H	-0.7689
78	I	H	0.0000
79	S	H	-0.6319
80	R	H	-1.2467
81	D	H	-1.7218
82	T	H	-1.3098
83	S	H	-1.4555
84	K	H	-2.3161
85	N	H	-1.5824
86	Q	H	-1.5613
87	F	H	0.0000
88	S	H	-0.7683
89	L	H	0.0000
90	K	H	-1.3741
91	L	H	0.0000
92	S	H	-0.9800
93	S	H	-0.9149
94	V	H	0.0000
95	T	H	0.0598
96	A	H	0.6609
97	V	H	1.7456
98	D	H	0.0000
99	T	H	0.7623
100	A	H	0.0000
101	V	H	0.2512
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	K	H	-0.3084
108	D	H	-0.4722
109	P	H	-0.4593
110	S	H	-0.4970
113	D	H	-0.6647
114	A	H	0.0000
115	F	H	0.0000
116	P	H	-0.2551
117	Y	H	-0.3234
118	W	H	-0.6721
119	G	H	0.0000
120	Q	H	-1.9117
121	G	H	0.0000
122	T	H	-0.1082
123	L	H	0.7421
124	V	H	0.0000
125	T	H	0.3817
126	V	H	0.0000
127	S	H	-0.5906
128	S	H	-0.6134
1	E	L	-1.3825
2	I	L	0.0000
3	V	L	0.6965
4	L	L	0.0000
5	T	L	-0.8333
6	Q	L	-0.8864
7	S	L	-0.9166
8	P	L	-0.6910
9	D	L	-1.4314
10	F	L	0.2561
11	Q	L	-0.4095
12	S	L	-0.6838
13	V	L	-1.3327
14	T	L	-2.1396
15	P	L	-2.4796
16	K	L	-3.4036
17	E	L	-3.8255
18	K	L	-3.0433
19	V	L	0.0000
20	T	L	-0.5599
21	I	L	0.0000
22	T	L	-1.0343
23	C	L	0.0000
24	R	L	-2.3234
25	A	L	0.0000
26	S	L	-0.9827
27	Q	L	-1.6060
28	S	L	-1.5121
29	I	L	0.0000
36	S	L	-1.1807
37	D	L	-1.5192
38	H	L	-1.0880
39	L	L	0.0000
40	H	L	0.0000
41	W	L	0.0000
42	Y	L	0.0000
43	Q	L	0.0000
44	Q	L	0.0000
45	K	L	-1.7642
46	P	L	-1.6709
47	D	L	-2.6103
48	Q	L	-2.5107
49	S	L	-1.5157
50	P	L	0.0000
51	K	L	-1.3074
52	L	L	0.0000
53	L	L	0.0000
54	I	L	0.0000
55	K	L	-0.7378
56	Y	L	-0.5077
57	A	L	0.0000
65	S	L	-0.8676
66	H	L	-0.9649
67	A	L	-0.3913
68	I	L	-0.0317
69	S	L	-0.2609
70	G	L	-0.3687
71	V	L	-0.1612
72	P	L	-0.2511
74	S	L	-0.4970
75	R	L	-1.1995
76	F	L	0.0000
77	S	L	-0.6081
78	G	L	-0.4953
79	S	L	-0.7735
80	G	L	-1.1417
83	S	L	-1.2894
84	G	L	-1.4209
85	T	L	-1.8289
86	D	L	-2.2224
87	F	L	0.0000
88	T	L	-0.7250
89	L	L	0.0000
90	T	L	0.0000
91	I	L	0.0000
92	N	L	-2.4617
93	S	L	-2.8063
94	L	L	0.0000
95	E	L	-2.5999
96	A	L	-1.8620
97	E	L	-2.1643
98	D	L	0.0000
99	A	L	-1.2548
100	A	L	0.0000
101	T	L	-0.8438
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	G	L	0.0000
108	H	L	-0.7574
109	S	L	-0.2855
114	F	L	0.4554
115	P	L	0.0000
116	L	L	0.0000
117	T	L	-0.0202
118	F	L	0.0000
119	G	L	0.0000
120	G	L	-1.2424
121	G	L	-1.1568
122	T	L	0.0000
123	K	L	-1.3160
124	V	L	0.0000
125	E	L	-1.2261
126	I	L	-1.6362
127	K	L	-1.9300