Project name: 66044ac8209f1c1

Chain sequence(s)	H: EVQLVESGGGLVQPGGSLRLSCAASGYSFTGHWMNWVRQAPGKGLEWVGMIHPSDSETRYNQKFKDRFTISVDKSKNTLYLQMNSLRAEDTAVYYCARGIYFYGTTYFDYWGQGTLVTVSS; L: DIQMTQSPSSLSASVGDRVTITCRASKTISKYLAWYQQKPGKAPKLLIYSGSTLQSGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQQHNEYPLTFGQGTKVEIK
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                                          (00:01:21)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:22)

• Minimal score value: -3.6007
• Maximal score value: 3.2212
• Average score: -0.579
• Total score value: -132.0187

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	-2.1893
2	V	H	-1.3164
3	Q	H	-1.3341
4	L	H	0.0000
5	V	H	1.0594
6	E	H	0.0000
7	S	H	-0.1591
8	G	H	-0.4662
9	G	H	0.1779
11	G	H	0.8089
12	L	H	1.3434
13	V	H	-0.1046
14	Q	H	-1.3904
15	P	H	-1.5349
16	G	H	-1.4808
17	G	H	-1.0502
18	S	H	-1.1573
19	L	H	-0.7635
20	R	H	-1.5881
21	L	H	0.0000
22	S	H	-0.2225
23	C	H	0.0000
24	A	H	-0.2147
25	A	H	0.0000
26	S	H	-1.1802
27	G	H	-1.3516
28	Y	H	-0.8127
29	S	H	-0.5110
30	F	H	0.0000
35	T	H	-1.0153
36	G	H	-0.4447
37	H	H	-0.0627
38	W	H	0.0463
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	-0.5342
45	A	H	-0.9908
46	P	H	-0.8172
47	G	H	-1.4567
48	K	H	-2.3226
49	G	H	-1.5409
50	L	H	0.0000
51	E	H	-0.6520
52	W	H	0.0000
53	V	H	0.0000
54	G	H	0.0000
55	M	H	0.0000
56	I	H	0.0000
57	H	H	-1.3122
58	P	H	0.0000
59	S	H	-1.5668
62	D	H	-2.3272
63	S	H	-1.8328
64	E	H	-2.0833
65	T	H	-1.3023
66	R	H	-1.3603
67	Y	H	-1.4781
68	N	H	-2.0195
69	Q	H	-3.1124
70	K	H	-3.0722
71	F	H	0.0000
72	K	H	-3.6007
74	D	H	-3.2807
75	R	H	-2.2281
76	F	H	0.0000
77	T	H	-1.1683
78	I	H	0.0000
79	S	H	-0.2840
80	V	H	-1.0126
81	D	H	-1.5663
82	K	H	-2.2624
83	S	H	-1.8850
84	K	H	-2.6297
85	N	H	-2.1637
86	T	H	-1.0914
87	L	H	0.0000
88	Y	H	-0.3317
89	L	H	0.0000
90	Q	H	-1.0906
91	M	H	0.0000
92	N	H	-1.4680
93	S	H	-1.4192
94	L	H	0.0000
95	R	H	-2.4294
96	A	H	-1.7608
97	E	H	-2.2274
98	D	H	0.0000
99	T	H	-0.3813
100	A	H	0.0000
101	V	H	0.8001
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	G	H	0.0000
108	I	H	1.6408
109	Y	H	2.6275
110	F	H	3.2212
111	Y	H	2.4506
112A	G	H	1.4041
112	T	H	0.0000
113	T	H	0.0000
114	Y	H	0.0000
115	F	H	0.0000
116	D	H	-0.0430
117	Y	H	0.0829
118	W	H	-0.2549
119	G	H	0.0000
120	Q	H	-1.3083
121	G	H	-0.2494
122	T	H	0.5887
123	L	H	1.6619
124	V	H	0.0000
125	T	H	0.3396
126	V	H	0.0000
127	S	H	-0.5442
128	S	H	-0.4947
1	D	L	-2.2296
2	I	L	0.0000
3	Q	L	-2.2594
4	M	L	0.0000
5	T	L	-1.3955
6	Q	L	0.0000
7	S	L	-0.7369
8	P	L	-0.5517
9	S	L	-0.8711
10	S	L	-0.8875
11	L	L	-0.4373
12	S	L	-0.4362
13	A	L	0.0000
14	S	L	-0.1126
15	V	L	0.6495
16	G	L	-0.5182
17	D	L	-1.3878
18	R	L	-2.1546
19	V	L	0.0000
20	T	L	-0.6091
21	I	L	0.0000
22	T	L	-0.7837
23	C	L	0.0000
24	R	L	-2.6364
25	A	L	0.0000
26	S	L	-1.8659
27	K	L	-1.8890
28	T	L	-1.2828
29	I	L	0.0000
36	S	L	-1.2443
37	K	L	-1.8841
38	Y	L	-0.7558
39	L	L	0.0000
40	A	L	0.0000
41	W	L	0.0000
42	Y	L	0.0000
43	Q	L	-1.0079
44	Q	L	0.0000
45	K	L	-1.8305
46	P	L	-1.2708
47	G	L	-1.7208
48	K	L	-2.6525
49	A	L	-1.5924
50	P	L	0.0000
51	K	L	-1.5418
52	L	L	0.0000
53	L	L	0.0000
54	I	L	0.0000
55	Y	L	0.0000
56	S	L	0.0000
57	G	L	0.0000
65	S	L	-0.5011
66	T	L	0.1735
67	L	L	0.2071
68	Q	L	-0.3284
69	S	L	-0.4034
70	G	L	-0.5749
71	V	L	0.0000
72	P	L	-0.3973
74	S	L	-0.4069
75	R	L	-0.7039
76	F	L	0.0000
77	S	L	-0.3053
78	G	L	-0.2999
79	S	L	-0.8301
80	G	L	-1.3227
83	S	L	-1.4103
84	G	L	-1.3207
85	T	L	-1.6944
86	D	L	-1.9841
87	F	L	0.0000
88	T	L	-0.6978
89	L	L	0.0000
90	T	L	-0.5969
91	I	L	0.0000
92	S	L	-1.2338
93	S	L	-1.0260
94	L	L	0.0000
95	Q	L	-0.5878
96	P	L	-0.6269
97	E	L	-1.8001
98	D	L	0.0000
99	F	L	-0.3149
100	A	L	0.0000
101	T	L	-0.9882
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	H	L	0.0000
108	N	L	-0.7470
109	E	L	-0.4299
114	Y	L	0.1492
115	P	L	-0.6141
116	L	L	0.0000
117	T	L	-0.7269
118	F	L	0.0000
119	G	L	0.0000
120	Q	L	-1.4770
121	G	L	0.0000
122	T	L	0.0000
123	K	L	-1.4191
124	V	L	0.0000
125	E	L	-0.2536
126	I	L	1.0530
127	K	L	-0.6271