Project name: 1IGT VHVL

Chain sequence(s)	H: EVKLQESGGGLVQPGGSLKLSCATSGFTFSDYYMYWVRQTPEKRLEWVAYISNGGGSTYYPDTVKGRFTISRDNAKNTLYLQMSRLKSEDTAMYYCARHGGYYAMDYWGQGTTVTVSS; L: DIVLTQSPSSLSASLGDTITITCHASQNINVWLSWYQQKPGNIPKLLIYKASNLHTGVPSRFSGSGSGTGFTLTISSLQPEDIATYYCQQGQSYPLTFGGGTK
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                                          (00:00:59)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:00)

• Minimal score value: -3.3516
• Maximal score value: 1.2827
• Average score: -0.561
• Total score value: -123.9788

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	-2.0668
2	V	H	-1.0980
3	K	H	-1.5220
4	L	H	0.0000
5	Q	H	-1.1280
6	E	H	0.0000
7	S	H	-0.8132
8	G	H	-0.7730
9	G	H	-0.2990
11	G	H	0.3745
12	L	H	1.1696
13	V	H	-0.1255
14	Q	H	-1.6396
15	P	H	-2.1014
16	G	H	-2.2373
17	G	H	-1.6521
18	S	H	-1.4456
19	L	H	-0.6358
20	K	H	-1.2837
21	L	H	0.0000
22	S	H	-0.5728
23	C	H	0.0000
24	A	H	-0.8585
25	T	H	0.0000
26	S	H	-1.2618
27	G	H	-1.2262
28	F	H	-0.7119
29	T	H	-0.6704
30	F	H	0.0000
35	S	H	-1.6027
36	D	H	-1.8894
37	Y	H	-0.6822
38	Y	H	-0.1884
39	M	H	0.0000
40	Y	H	0.0000
41	W	H	0.0000
42	V	H	0.0000
43	R	H	0.0000
44	Q	H	0.0000
45	T	H	-2.1274
46	P	H	-2.0860
47	E	H	-3.2145
48	K	H	-3.3516
49	R	H	-3.3059
50	L	H	0.0000
51	E	H	-0.9751
52	W	H	0.0000
53	V	H	0.0000
54	A	H	0.0000
55	Y	H	0.0000
56	I	H	0.0000
57	S	H	0.0000
58	N	H	-1.3849
59	G	H	-1.3215
62	G	H	-0.9216
63	G	H	-0.8343
64	S	H	-0.2440
65	T	H	0.4473
66	Y	H	0.8538
67	Y	H	-0.2920
68	P	H	0.0000
69	D	H	-2.5475
70	T	H	-1.6965
71	V	H	0.0000
72	K	H	-2.4307
74	G	H	-1.9120
75	R	H	-2.0544
76	F	H	0.0000
77	T	H	-0.6291
78	I	H	0.0000
79	S	H	-0.4314
80	R	H	-0.9793
81	D	H	-1.3632
82	N	H	-1.8781
83	A	H	-1.2881
84	K	H	-2.2758
85	N	H	-1.8085
86	T	H	-1.2133
87	L	H	0.0000
88	Y	H	-0.3554
89	L	H	0.0000
90	Q	H	-0.9837
91	M	H	0.0000
92	S	H	-1.7943
93	R	H	-2.8447
94	L	H	0.0000
95	K	H	-3.2000
96	S	H	-2.1749
97	E	H	-2.5507
98	D	H	0.0000
99	T	H	-0.8221
100	A	H	0.0000
101	M	H	-0.0783
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	H	H	0.0000
108	G	H	0.4208
109	G	H	0.3622
110	Y	H	1.2827
113	Y	H	1.0019
114	A	H	0.0000
115	M	H	0.0000
116	D	H	0.0897
117	Y	H	0.2344
118	W	H	0.0000
119	G	H	0.0000
120	Q	H	-0.9739
121	G	H	0.0000
122	T	H	-0.4330
123	T	H	-0.0036
124	V	H	0.0000
125	T	H	-0.1492
126	V	H	0.0000
127	S	H	-0.8690
128	S	H	-0.6102
1	D	L	-1.6779
2	I	L	0.0000
3	V	L	0.8415
4	L	L	0.0000
5	T	L	-0.2450
6	Q	L	-0.5018
7	S	L	-0.6009
8	P	L	-0.6188
9	S	L	-0.8224
10	S	L	-0.8481
11	L	L	-0.1605
12	S	L	-0.0212
13	A	L	0.1238
14	S	L	0.0141
15	L	L	0.7559
16	G	L	-0.3133
17	D	L	-0.7939
18	T	L	-0.5564
19	I	L	0.0000
20	T	L	-0.2352
21	I	L	0.0000
22	T	L	-0.5138
23	C	L	0.0000
24	H	L	-1.2725
25	A	L	0.0000
26	S	L	-0.9475
27	Q	L	-2.1334
28	N	L	-2.2736
29	I	L	0.0000
36	N	L	-1.2682
37	V	L	-0.2673
38	W	L	0.2339
39	L	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	-0.8741
45	K	L	-1.2321
46	P	L	-0.9129
47	G	L	-1.2322
48	N	L	-1.7581
49	I	L	-0.6284
50	P	L	0.0000
51	K	L	-1.1058
52	L	L	0.0000
53	L	L	0.0000
54	I	L	0.0000
55	Y	L	0.1001
56	K	L	-0.3666
57	A	L	0.0000
65	S	L	-0.5915
66	N	L	-0.6837
67	L	L	0.0187
68	H	L	-0.3566
69	T	L	-0.2855
70	G	L	-0.4161
71	V	L	-0.2464
72	P	L	-0.3153
74	S	L	-0.4116
75	R	L	-0.6549
76	F	L	0.0000
77	S	L	-0.4234
78	G	L	-0.4816
79	S	L	-0.6552
80	G	L	-0.7264
83	S	L	-0.8973
84	G	L	-1.2836
85	T	L	-1.4311
86	G	L	-0.9848
87	F	L	0.0000
88	T	L	-0.4923
89	L	L	0.0000
90	T	L	-0.2869
91	I	L	0.0000
92	S	L	-0.7710
93	S	L	-0.5995
94	L	L	0.0000
95	Q	L	-0.4142
96	P	L	-0.2077
97	E	L	-0.9074
98	D	L	0.0000
99	I	L	1.0520
100	A	L	0.0000
101	T	L	-0.6688
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	0.2548
108	Q	L	-0.5796
109	S	L	-0.4041
114	Y	L	-0.0311
115	P	L	-0.5174
116	L	L	0.0000
117	T	L	-0.0117
118	F	L	-0.0548
119	G	L	0.0000
120	G	L	-1.3561
121	G	L	-1.3260
122	T	L	0.0000
123	K	L	-1.0600