Project name: 2AGJ

Chain sequence(s)	H: PVTLKESGPTLVKPTQTLTLTCTFSGFSLTTTGEGVGWIRQPPGKALEFLAFIYWNDAKRYNPSLQSRLTITKDASKKQVVLTLTNLDPVDTATYYCARTSGWDIEFEYWGQGTLVTVSSGSASAPTLFPLVSCENSSPSSTVAVGCLAQDFLPDSITFSWKYKNNSDISSTRGFPSVLRGGKYAATSQVLLPSKDVMQGTDEHVVCKVQHPNGNKEKDVPLPVVI; L: EIVLTQSPGTLSLSPGERATLSCRASETVSNDKVAWYQQKPGQAPRLLIYGASSRATGIPDRFSGSGSGTDFTLSISGLEPEDFVVYYCQQYASSPRTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC
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                                          (00:04:46)
[INFO]       Main:     Simulation completed successfully.                                          (00:04:49)

• Minimal score value: -3.5939
• Maximal score value: 2.006
• Average score: -0.7365
• Total score value: -324.7841

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	L	-1.5895
2	I	L	-0.5342
3	V	L	0.7071
4	L	L	0.0000
5	T	L	-0.7616
6	Q	L	0.0000
7	S	L	-0.8736
8	P	L	-0.4434
9	G	L	-0.7640
10	T	L	-0.2956
11	L	L	-0.1168
12	S	L	-0.4165
13	L	L	-0.9712
14	S	L	-1.4770
15	P	L	-1.8506
16	G	L	-2.0974
17	E	L	-2.7238
18	R	L	-2.8994
19	A	L	0.0000
20	T	L	-0.5468
21	L	L	0.0000
22	S	L	-0.9699
23	C	L	0.0000
24	R	L	-2.4433
25	A	L	-1.4017
26	S	L	-1.2686
27	E	L	-2.2903
28	T	L	-1.7532
29	V	L	0.0000
30	S	L	-1.3632
31	N	L	-1.7721
32	D	L	-1.5946
33	K	L	-0.9142
34	V	L	0.0000
35	A	L	0.0000
36	W	L	0.0000
37	Y	L	0.0000
38	Q	L	0.0000
39	Q	L	0.0000
40	K	L	-1.3927
41	P	L	-1.2087
42	G	L	-1.1574
43	Q	L	-1.4455
44	A	L	0.0000
45	P	L	0.0000
46	R	L	-1.3734
47	L	L	0.0000
48	L	L	0.0000
49	I	L	0.0000
50	Y	L	-0.2940
51	G	L	-0.6023
52	A	L	0.0000
53	S	L	-0.7912
54	S	L	-0.6783
55	R	L	-1.4257
56	A	L	-0.9570
57	T	L	-0.5723
58	G	L	-0.8797
59	I	L	0.0000
60	P	L	-1.3662
61	D	L	-2.2526
62	R	L	-1.6832
63	F	L	0.0000
64	S	L	-0.9912
65	G	L	-0.6027
66	S	L	-0.8420
67	G	L	-1.1378
68	S	L	-1.5447
69	G	L	-1.6088
70	T	L	-2.0373
71	D	L	-2.4991
72	F	L	0.0000
73	T	L	-0.8587
74	L	L	0.0000
75	S	L	-0.6212
76	I	L	0.0000
77	S	L	-2.1022
78	G	L	-1.9575
79	L	L	0.0000
80	E	L	-2.4245
81	P	L	-1.6967
82	E	L	-2.3105
83	D	L	0.0000
84	F	L	-0.6735
85	V	L	0.0000
86	V	L	-0.2786
87	Y	L	0.0000
88	Y	L	0.0000
89	C	L	0.0000
90	Q	L	0.0000
91	Q	L	0.0000
92	Y	L	0.0000
93	A	L	-0.6871
94	S	L	-0.6440
95	S	L	0.0000
96	P	L	-0.7689
97	R	L	0.0000
98	T	L	-0.1364
99	F	L	0.0575
100	G	L	0.0000
101	Q	L	-1.6873
102	G	L	-1.0176
103	T	L	0.0000
104	K	L	-0.5373
105	V	L	0.0000
106	E	L	0.0000
107	I	L	-0.5151
108	K	L	-1.4318
109	R	L	-1.0336
110	T	L	-0.1502
111	V	L	0.3403
112	A	L	0.0474
113	A	L	-0.1040
114	P	L	0.0000
115	S	L	-0.2246
116	V	L	0.0000
117	F	L	0.0000
118	I	L	0.0000
119	F	L	0.0000
120	P	L	-0.4118
121	P	L	0.0000
122	S	L	-1.3776
123	D	L	-2.7892
124	E	L	-2.5745
125	Q	L	0.0000
126	L	L	-2.1872
127	K	L	-2.7028
128	S	L	-1.6901
129	G	L	-1.1927
130	T	L	-0.9628
131	A	L	0.0000
132	S	L	0.0000
133	V	L	0.0000
134	V	L	0.0000
135	C	L	0.0000
136	L	L	0.0000
137	L	L	0.0000
138	N	L	0.0000
139	N	L	-0.6565
140	F	L	0.0000
141	Y	L	0.0000
142	P	L	-1.3080
143	R	L	-2.0997
144	E	L	-2.7719
145	A	L	-2.1531
146	K	L	-2.4249
147	V	L	-1.3912
148	Q	L	-0.9569
149	W	L	0.0000
150	K	L	-0.6639
151	V	L	0.0000
152	D	L	-1.8486
153	N	L	-1.5076
154	A	L	-0.3160
155	L	L	0.6195
156	Q	L	-0.2080
157	S	L	-0.5260
158	G	L	-0.8542
159	N	L	-0.7335
160	S	L	-1.1199
161	Q	L	-1.3313
162	E	L	-1.8459
163	S	L	0.0000
164	V	L	-0.4834
165	T	L	-1.0428
166	E	L	-2.1051
167	Q	L	-1.6839
168	D	L	-1.8910
169	S	L	-1.7341
170	K	L	-2.1970
171	D	L	-1.6152
172	S	L	-1.5940
173	T	L	0.0000
174	Y	L	0.0000
175	S	L	0.0000
176	L	L	0.0000
177	S	L	0.0000
178	S	L	0.0000
179	T	L	0.0000
180	L	L	0.0000
181	T	L	-0.3374
182	L	L	-0.6114
183	S	L	-1.2463
184	K	L	-2.0084
185	A	L	-1.8288
186	D	L	-2.5380
187	Y	L	0.0000
188	E	L	-3.3676
189	K	L	-3.5939
190	H	L	-3.0013
191	K	L	-3.3642
192	V	L	-1.7781
193	Y	L	0.0000
194	A	L	-0.6389
195	C	L	0.0000
196	E	L	-0.9555
197	V	L	0.0000
198	T	L	-1.3407
199	H	L	0.0000
200	Q	L	-1.6929
201	G	L	-0.4667
202	L	L	-0.2620
203	S	L	-0.4642
204	S	L	-0.4517
205	P	L	-0.6270
206	V	L	0.0146
207	T	L	-0.4185
208	K	L	-0.7106
209	S	L	-0.7976
210	F	L	0.0000
211	N	L	-2.1156
212	R	L	-3.0064
213	G	L	-2.3737
214	E	L	-2.3299
215	C	L	-0.7823
1	P	H	-0.1811
2	V	H	0.0079
3	T	H	-0.5545
4	L	H	0.0000
5	K	H	-2.1092
6	E	H	0.0000
7	S	H	-0.7117
8	G	H	-0.2909
9	P	H	-0.1164
10	T	H	0.0827
11	L	H	-0.1474
12	V	H	0.0000
13	K	H	-2.4051
14	P	H	-1.8547
15	T	H	-1.7384
16	Q	H	-1.8992
17	T	H	-1.2209
18	L	H	0.0000
19	T	H	-0.0778
20	L	H	0.0000
21	T	H	-0.3524
22	C	H	0.0000
23	T	H	-1.2411
24	F	H	0.0000
25	S	H	-0.7184
26	G	H	-0.4708
27	F	H	-0.2102
28	S	H	-0.2648
29	L	H	0.0000
30	T	H	-0.4443
31	T	H	-0.2584
32	T	H	-0.1151
33	G	H	0.2317
34	E	H	0.0000
35	G	H	0.0000
36	V	H	0.0000
37	G	H	0.0000
38	W	H	0.0000
39	I	H	0.0000
40	R	H	0.0000
41	Q	H	-0.8651
42	P	H	-0.6270
43	P	H	-1.0030
44	G	H	-1.4855
45	K	H	-2.3687
46	A	H	-1.5415
47	L	H	0.0000
48	E	H	-1.0867
49	F	H	0.0000
50	L	H	0.0000
51	A	H	0.0000
52	F	H	0.0000
53	I	H	0.0000
54	Y	H	-1.1968
55	W	H	-1.1233
56	N	H	-2.0608
57	D	H	-2.5946
58	A	H	-2.0419
59	K	H	-2.7678
60	R	H	-2.3137
61	Y	H	-1.2972
62	N	H	-1.0916
63	P	H	-1.1305
64	S	H	-0.6711
65	L	H	0.0000
66	Q	H	-1.3240
67	S	H	-0.8504
68	R	H	-1.0784
69	L	H	0.0000
70	T	H	-0.6169
71	I	H	0.0000
72	T	H	-0.7253
73	K	H	-1.3309
74	D	H	-1.5051
75	A	H	-1.2251
76	S	H	-1.4941
77	K	H	-2.3998
78	K	H	-1.9119
79	Q	H	-1.5603
80	V	H	0.0000
81	V	H	0.1428
82	L	H	0.0000
83	T	H	-0.0461
84	L	H	0.0000
85	T	H	-1.2238
86	N	H	-2.1715
87	L	H	0.0000
88	D	H	-1.4955
89	P	H	-0.2519
90	V	H	1.2639
91	D	H	0.0000
92	T	H	0.3411
93	A	H	0.0000
94	T	H	-0.1047
95	Y	H	0.0000
96	Y	H	0.0000
97	C	H	0.0000
98	A	H	0.0000
99	R	H	-0.0069
100	T	H	0.0000
101	S	H	0.1680
102	G	H	0.3978
103	W	H	1.0452
104	D	H	0.4262
105	I	H	0.4289
106	E	H	0.0000
107	F	H	0.0000
108	E	H	-0.3167
109	Y	H	-0.0917
110	W	H	-0.6052
111	G	H	0.0000
112	Q	H	-1.7240
113	G	H	-1.0100
114	T	H	-0.3727
115	L	H	0.2339
116	V	H	0.0000
117	T	H	0.0000
118	V	H	0.0000
119	S	H	-0.9785
120	S	H	-1.3344
121	G	H	-0.9164
122	S	H	-0.6073
123	A	H	-0.5538
124	S	H	-0.6420
125	A	H	-1.2868
126	P	H	0.0000
127	T	H	-0.8656
128	L	H	0.0000
129	F	H	0.0000
130	P	H	0.0000
131	L	H	0.0000
132	V	H	0.4606
133	S	H	0.0000
134	C	H	-0.3608
135	E	H	-0.9308
136	N	H	-1.5780
137	S	H	-1.1013
138	S	H	-0.9990
139	P	H	-0.8697
140	S	H	-0.7002
141	S	H	-0.5951
142	T	H	-0.7136
143	V	H	0.0000
144	A	H	0.0000
145	V	H	0.0000
146	G	H	0.0000
147	C	H	0.0000
148	L	H	0.0000
149	A	H	0.0000
150	Q	H	0.0000
151	D	H	-0.7514
152	F	H	0.0000
153	L	H	0.0000
154	P	H	-0.5167
155	D	H	-0.3630
156	S	H	-0.6126
157	I	H	-0.4329
158	T	H	-0.4203
159	F	H	-0.4058
160	S	H	-0.8920
161	W	H	0.0000
162	K	H	-1.9320
163	Y	H	-2.1672
164	K	H	-2.8954
165	N	H	-2.7319
166	N	H	-2.7032
167	S	H	-2.1695
168	D	H	-2.4035
169	I	H	-0.8620
170	S	H	-0.5142
171	S	H	0.0000
172	T	H	-0.3522
173	R	H	-0.5466
174	G	H	-0.4859
175	F	H	0.0000
176	P	H	-0.5883
177	S	H	-0.0400
178	V	H	0.2005
179	L	H	0.9132
180	R	H	-0.3495
181	G	H	-0.6842
182	G	H	-0.6096
183	K	H	-0.6162
184	Y	H	-0.0200
185	A	H	0.0000
186	A	H	0.0000
187	T	H	0.0000
188	S	H	0.0000
189	Q	H	0.0000
190	V	H	0.0000
191	L	H	0.1921
192	L	H	0.0000
193	P	H	-1.1801
194	S	H	-1.0109
195	K	H	-2.4293
196	D	H	-2.5715
197	V	H	0.0000
198	M	H	-0.0146
199	Q	H	-1.5325
200	G	H	-1.6718
201	T	H	-1.1690
202	D	H	-2.1222
203	E	H	-2.2746
204	H	H	-1.6246
205	V	H	0.0000
206	V	H	-1.5717
207	C	H	0.0000
208	K	H	-2.0930
209	V	H	0.0000
210	Q	H	-2.3997
211	H	H	0.0000
212	P	H	-1.4091
213	N	H	-1.8855
214	G	H	-2.1507
215	N	H	-3.0612
216	K	H	-3.1740
217	E	H	-3.4343
218	K	H	-2.2670
219	D	H	-2.1310
220	V	H	0.0000
221	P	H	-0.6302
222	L	H	-0.0386
223	P	H	0.9330
224	V	H	1.7499
225	V	H	1.6426
226	I	H	2.0060