Project name: scFv94

Chain sequence(s)	H: EVQLQQSGPELVKPGASVKISCKTSGFTFTEYSMHWVKQSHGKSLEWIGGINPNNGGTSYNQKFKGKATLTVDKSSSTAYMELRSLTSEDSAVYYCARESWGQGTTLTVSS; L: DVVMTQTPLTLSVTIGQPASISCKSSQSLLHSDGKTYLNWLLQRPGQSPKRLIYLVSKLDSRIPDRFTGSGSGTDFTLKISRVEAEDLGVYYCWQGTHFPHTFGAGTKLELK
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]                                                (00:00:07)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:07)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with all chain(s) selected           (00:00:07)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:07)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:07)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:14)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:15)

• Minimal score value: -3.0203
• Maximal score value: 1.2614
• Average score: -0.6716
• Total score value: -149.7738

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	-2.0781
2	V	H	-1.2561
3	Q	H	-2.1857
4	L	H	0.0000
5	Q	H	-2.1294
6	Q	H	0.0000
7	S	H	-1.0256
8	G	H	-0.8445
9	P	H	-0.2250
11	E	H	0.1511
12	L	H	1.0206
13	V	H	-0.0641
14	K	H	-1.6214
15	P	H	-1.3953
16	G	H	-1.2092
17	A	H	-0.9875
18	S	H	-1.0889
19	V	H	0.0000
20	K	H	-1.1519
21	I	H	0.0000
22	S	H	-0.6342
23	C	H	0.0000
24	K	H	-1.4327
25	T	H	0.0000
26	S	H	-1.2403
27	G	H	-1.1181
28	F	H	-0.5678
29	T	H	-0.6150
30	F	H	0.0000
35	T	H	-1.8480
36	E	H	-1.9771
37	Y	H	-1.0008
38	S	H	-1.0384
39	M	H	0.0000
40	H	H	-0.3773
41	W	H	0.0000
42	V	H	0.0000
43	K	H	-0.8909
44	Q	H	-1.2135
45	S	H	-1.7487
46	H	H	-1.9566
47	G	H	-1.8097
48	K	H	-2.4723
49	S	H	-1.4058
50	L	H	0.0000
51	E	H	-1.7658
52	W	H	0.0000
53	I	H	0.0000
54	G	H	0.0000
55	G	H	0.0000
56	I	H	0.0000
57	N	H	-1.5235
58	P	H	0.0000
59	N	H	-2.7236
62	N	H	-2.2366
63	G	H	-1.7304
64	G	H	-1.2967
65	T	H	-0.5484
66	S	H	-0.4116
67	Y	H	-0.8565
68	N	H	-1.6680
69	Q	H	-2.6544
70	K	H	-3.0203
71	F	H	0.0000
72	K	H	-2.8696
74	G	H	-1.9231
75	K	H	-1.7969
76	A	H	0.0000
77	T	H	-0.7560
78	L	H	0.0000
79	T	H	-0.1524
80	V	H	-0.5898
81	D	H	-1.3894
82	K	H	-2.0513
83	S	H	-1.1033
84	S	H	-0.9064
85	S	H	-1.0234
86	T	H	0.0000
87	A	H	0.0000
88	Y	H	-0.1529
89	M	H	0.0000
90	E	H	-0.8886
91	L	H	0.0000
92	R	H	-1.2320
93	S	H	-1.0944
94	L	H	0.0000
95	T	H	-1.3349
96	S	H	-1.4781
97	E	H	-2.0757
98	D	H	0.0000
99	S	H	-0.7379
100	A	H	0.0000
101	V	H	-0.1386
102	Y	H	0.0000
103	Y	H	0.0000
104	C	H	0.0000
105	A	H	0.0000
106	R	H	-0.8346
116	E	H	-0.9701
117	S	H	-1.0914
118	W	H	0.0000
119	G	H	0.0000
120	Q	H	-1.8511
121	G	H	-0.9394
122	T	H	0.0000
123	T	H	-0.2259
124	L	H	0.0000
125	T	H	-0.0701
126	V	H	0.0000
127	S	H	-0.6498
128	S	H	-0.7650
1	D	L	-1.3387
2	V	L	0.0000
3	V	L	0.8767
4	M	L	0.0000
5	T	L	-0.0038
6	Q	L	0.0000
7	T	L	0.1773
8	P	L	0.4625
9	L	L	1.2614
10	T	L	0.2747
11	L	L	0.0487
12	S	L	-0.3805
13	V	L	0.0000
14	T	L	-0.8186
15	I	L	-0.0417
16	G	L	-1.0687
17	Q	L	-1.8905
18	P	L	-1.7397
19	A	L	0.0000
20	S	L	-0.5765
21	I	L	0.0000
22	S	L	-0.5794
23	C	L	0.0000
24	K	L	-1.6043
25	S	L	0.0000
26	S	L	-0.8331
27	Q	L	-1.4135
28	S	L	-0.7921
29	L	L	0.0000
30	L	L	0.3527
31	H	L	-0.8662
32	S	L	-1.2262
34	D	L	-2.1400
35	G	L	-1.5134
36	K	L	-1.3544
37	T	L	-0.1941
38	Y	L	0.3672
39	L	L	0.0000
40	N	L	0.0733
41	W	L	0.0000
42	L	L	0.0000
43	L	L	0.0000
44	Q	L	-0.8785
45	R	L	-1.1286
46	P	L	-0.8339
47	G	L	-1.0757
48	Q	L	-1.4414
49	S	L	-1.1766
50	P	L	0.0000
51	K	L	-1.7383
52	R	L	-0.9449
53	L	L	0.0000
54	I	L	0.0000
55	Y	L	0.2449
56	L	L	0.0945
57	V	L	0.0000
65	S	L	-0.5022
66	K	L	-0.9097
67	L	L	-0.6739
68	D	L	-0.9152
69	S	L	-1.1610
70	R	L	-1.9776
71	I	L	-1.1818
72	P	L	-1.2460
74	D	L	-1.9891
75	R	L	-1.8364
76	F	L	0.0000
77	T	L	-0.9678
78	G	L	0.0000
79	S	L	-0.6832
80	G	L	-0.9100
83	S	L	-0.6127
84	G	L	-0.6185
85	T	L	-1.2507
86	D	L	-1.8647
87	F	L	0.0000
88	T	L	-0.7940
89	L	L	0.0000
90	K	L	-1.2703
91	I	L	0.0000
92	S	L	-2.1352
93	R	L	-2.6422
94	V	L	0.0000
95	E	L	-1.8820
96	A	L	-1.2497
97	E	L	-2.0234
98	D	L	0.0000
99	L	L	-0.5132
100	G	L	-0.6325
101	V	L	0.0455
102	Y	L	0.0000
103	Y	L	0.0000
104	C	L	0.0000
105	W	L	0.0983
106	Q	L	0.0000
107	G	L	0.2421
108	T	L	0.0000
109	H	L	0.2046
114	F	L	1.1618
115	P	L	-0.0576
116	H	L	-0.0459
117	T	L	-0.0569
118	F	L	0.0000
119	G	L	0.0000
120	A	L	0.1438
121	G	L	0.0000
122	T	L	0.0000
123	K	L	-0.6383
124	L	L	0.0000
125	E	L	-0.3924
126	L	L	-0.3957
127	K	L	-1.3146