Project name: clone82

Chain sequence(s)	H: EVQLLESGGGLVQPGGSLRLSCAASGFTIRSYAMSWVRQAPGKGLEWVSGVSGSSSITYYADSVKGRFTVSRDTSKNTFYLQMSSLRTEDTAVYYCAAFLGSGTYRWDHWGQGTLVAVSP; L: QSVLTQPPSVSGAPGQRVTISCTGNSSNIGAGYDVQWYQQLPRTAPKLLIYANTDRPSGVPDRFSGSKSGTSVSLAITGLLAEDEADYYCQSFDSTLNAWIFGGGTKLTVL
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                                          (00:00:57)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:58)

• Minimal score value: -2.6367
• Maximal score value: 1.6051
• Average score: -0.4941
• Total score value: -114.1323

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	-1.8236
2	V	H	-0.7316
3	Q	H	-0.9619
4	L	H	0.0000
5	L	H	0.3735
6	E	H	0.0000
7	S	H	-0.1979
8	G	H	-0.7147
9	G	H	0.1013
11	G	H	0.6285
12	L	H	1.3957
13	V	H	0.0508
14	Q	H	-1.3141
15	P	H	-1.5145
16	G	H	-1.3129
17	G	H	-0.8314
18	S	H	-0.9771
19	L	H	-0.5494
20	R	H	-1.5132
21	L	H	0.0000
22	S	H	0.0000
23	C	H	0.0000
24	A	H	-0.2444
25	A	H	-0.2897
26	S	H	-0.5844
27	G	H	-0.9909
28	F	H	-0.5736
29	T	H	-0.8838
30	I	H	0.0000
35	R	H	-2.1061
36	S	H	-1.0451
37	Y	H	-0.5164
38	A	H	-0.0320
39	M	H	0.0000
40	S	H	0.0000
41	W	H	0.0000
42	V	H	0.0000
43	R	H	0.0000
44	Q	H	-0.6546
45	A	H	-1.0409
46	P	H	-0.8375
47	G	H	-1.6809
48	K	H	-2.2545
49	G	H	-1.6566
50	L	H	0.0000
51	E	H	-1.0571
52	W	H	0.0000
53	V	H	0.0000
54	S	H	0.0000
55	G	H	0.0000
56	V	H	0.0000
57	S	H	0.1576
58	G	H	-0.6458
59	S	H	-0.5275
62	S	H	-0.1599
63	S	H	0.4404
64	I	H	1.6051
65	T	H	0.9631
66	Y	H	0.4184
67	Y	H	-0.7643
68	A	H	-1.2517
69	D	H	-2.2646
70	S	H	-1.7160
71	V	H	0.0000
72	K	H	-2.5274
74	G	H	-1.6749
75	R	H	-1.4250
76	F	H	0.0000
77	T	H	-0.7888
78	V	H	0.0000
79	S	H	-0.4439
80	R	H	-1.0124
81	D	H	-1.3994
82	T	H	-1.4900
83	S	H	-1.4620
84	K	H	-2.0813
85	N	H	-1.6274
86	T	H	-0.9848
87	F	H	0.0000
88	Y	H	-0.5177
89	L	H	0.0000
90	Q	H	-1.2791
91	M	H	0.0000
92	S	H	-0.9685
93	S	H	-1.0208
94	L	H	0.0000
95	R	H	-2.2084
96	T	H	-1.7696
97	E	H	-2.2585
98	D	H	0.0000
99	T	H	-0.4094
100	A	H	0.0000
101	V	H	0.6499
102	Y	H	0.0000
103	Y	H	0.0000
104	C	H	0.0000
105	A	H	0.0000
106	A	H	0.0000
107	F	H	0.0000
108	L	H	0.1220
109	G	H	-0.2670
110	S	H	-0.3597
111	G	H	-0.4054
112	T	H	0.0231
113	Y	H	0.6943
114	R	H	-0.0102
115	W	H	0.0000
116	D	H	-0.5073
117	H	H	-0.6430
118	W	H	-0.4598
119	G	H	0.0000
120	Q	H	-1.1529
121	G	H	-0.1421
122	T	H	0.3084
123	L	H	1.1521
124	V	H	0.0000
125	A	H	0.3326
126	V	H	0.0000
127	S	H	-0.6836
128	P	H	-0.7294
1	Q	L	-1.1485
2	S	L	-0.3187
3	V	L	0.5286
4	L	L	0.0000
5	T	L	-0.2983
6	Q	L	-0.4130
7	P	L	-0.4755
8	P	L	-0.7139
9	S	L	-0.6354
11	V	L	-0.2130
12	S	L	-0.0034
13	G	L	-0.1494
14	A	L	0.0209
15	P	L	-0.4358
16	G	L	-1.3936
17	Q	L	-2.1303
18	R	L	-2.6367
19	V	L	0.0000
20	T	L	-0.4937
21	I	L	0.0000
22	S	L	-0.2285
23	C	L	0.0000
24	T	L	-0.3737
25	G	L	-0.3908
26	N	L	-0.8835
27	S	L	-0.8402
28	S	L	-0.3249
29	N	L	0.0000
30	I	L	0.0000
31	G	L	-1.1001
35	A	L	-0.6420
36	G	L	-0.7438
37	Y	L	-0.2397
38	D	L	-0.7682
39	V	L	0.0000
40	Q	L	0.0000
41	W	L	0.0000
42	Y	L	0.0000
43	Q	L	0.0000
44	Q	L	0.0000
45	L	L	-0.8983
46	P	L	-1.1727
47	R	L	-2.0349
48	T	L	-1.2263
49	A	L	-0.9177
50	P	L	0.0000
51	K	L	-0.9474
52	L	L	0.0000
53	L	L	0.0000
54	I	L	0.0000
55	Y	L	-0.4817
56	A	L	-0.5672
57	N	L	-0.9026
65	T	L	-0.9684
66	D	L	-1.2762
67	R	L	-1.7580
68	P	L	-0.9777
69	S	L	-0.7442
70	G	L	-0.8795
71	V	L	-1.0881
72	P	L	-1.2984
74	D	L	-2.1541
75	R	L	-1.2834
76	F	L	0.0000
77	S	L	-0.9492
78	G	L	-0.6544
79	S	L	-0.6749
80	K	L	-1.1105
83	S	L	-0.8261
84	G	L	-1.0332
85	T	L	-0.9585
86	S	L	-0.7182
87	V	L	0.0000
88	S	L	-0.3997
89	L	L	0.0000
90	A	L	-0.5328
91	I	L	0.0000
92	T	L	-1.5846
93	G	L	-1.3639
94	L	L	0.0000
95	L	L	-0.0812
96	A	L	-0.4340
97	E	L	-1.6453
98	D	L	0.0000
99	E	L	-1.1141
100	A	L	0.0000
101	D	L	-1.0447
102	Y	L	0.0000
103	Y	L	0.0000
104	C	L	0.0000
105	Q	L	0.0000
106	S	L	0.0000
107	F	L	0.2304
108	D	L	0.0000
109	S	L	-0.1990
110	T	L	0.0563
113	L	L	0.3183
114	N	L	-0.5649
115	A	L	-0.1932
116	W	L	0.0000
117	I	L	0.1691
118	F	L	0.0000
119	G	L	0.0000
120	G	L	-1.0043
121	G	L	0.0000
122	T	L	0.0000
123	K	L	-1.1583
124	L	L	0.0000
125	T	L	-0.0295
126	V	L	0.4213
127	L	L	1.4822