Project name: H6HAIGF2

Chain sequence(s)	A: AMQLQLVESGGGLVQPGGSLRLSCAASGFSLDPYVIGWFRQAPGKEREGVSCITSRAASRTSVDSVNERFTISRDNAKNTVDLHINNLKPEDSGVYYCAAVPPAKLPLFSLCRSLPAKYDYWGQGTQVTVSSAHHSEDPSGSYPYDVPDYAGSGASAYRPSRTLCGGELVDTLQLVCGDRGFYFSRPASRVSRRPRGIVEECCFRSCDLALLETYCATPAKSEAAALEHHHHHH
Selected Chain(s)	A
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 A 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                                          (00:02:51)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:52)

• Minimal score value: -3.4826
• Maximal score value: 1.5634
• Average score: -0.8465
• Total score value: -198.0901

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	A	A	0.1382
2	M	A	0.3858
3	Q	A	-0.6323
4	L	A	0.0000
5	Q	A	-0.3771
6	L	A	0.0000
7	V	A	-0.1932
8	E	A	0.0000
9	S	A	0.0000
10	G	A	-0.6916
11	G	A	-0.7212
12	G	A	-0.0967
13	L	A	0.3268
14	V	A	0.0000
15	Q	A	-1.7409
16	P	A	-1.8039
17	G	A	-1.8379
18	G	A	-1.4082
19	S	A	-1.5183
20	L	A	-1.0711
21	R	A	-2.0773
22	L	A	0.0000
23	S	A	0.0000
24	C	A	0.0000
25	A	A	0.0000
26	A	A	0.0000
27	S	A	0.0000
28	G	A	0.3552
29	F	A	0.7422
30	S	A	-0.0664
31	L	A	0.0000
32	D	A	-1.5011
33	P	A	-0.8535
34	Y	A	-0.5023
35	V	A	0.0000
36	I	A	0.0000
37	G	A	0.0000
38	W	A	0.0000
39	F	A	0.0000
40	R	A	-1.2915
41	Q	A	-1.9737
42	A	A	-1.9535
43	P	A	-1.3780
44	G	A	-1.9161
45	K	A	-3.2671
46	E	A	-3.3950
47	R	A	-2.6500
48	E	A	-2.1191
49	G	A	0.0000
50	V	A	0.0000
51	S	A	0.0000
52	C	A	0.0000
53	I	A	0.0000
54	T	A	-1.0981
55	S	A	-1.6200
56	R	A	-2.2589
57	A	A	-1.5923
58	A	A	-0.9803
59	S	A	-1.2222
60	R	A	-1.9064
61	T	A	-1.0746
62	S	A	-0.7682
63	V	A	0.0008
64	D	A	-0.4004
65	S	A	-0.5748
66	V	A	0.4815
67	N	A	-1.6406
68	E	A	-2.3064
69	R	A	-1.8456
70	F	A	0.0000
71	T	A	-1.2687
72	I	A	0.0000
73	S	A	-1.0004
74	R	A	-1.2486
75	D	A	-1.5047
76	N	A	-1.5126
77	A	A	-0.7300
78	K	A	-1.3739
79	N	A	-0.9381
80	T	A	0.0000
81	V	A	0.0000
82	D	A	-1.1059
83	L	A	0.0000
84	H	A	-1.2291
85	I	A	0.0000
86	N	A	-2.2392
87	N	A	-2.5701
88	L	A	0.0000
89	K	A	-2.4443
90	P	A	-1.8567
91	E	A	-2.2696
92	D	A	0.0000
93	S	A	-1.0752
94	G	A	-1.0300
95	V	A	-0.5408
96	Y	A	0.0000
97	Y	A	-0.3271
98	C	A	0.0000
99	A	A	0.0000
100	A	A	0.0000
101	V	A	0.0000
102	P	A	-0.7367
103	P	A	-0.2848
104	A	A	-0.3306
105	K	A	-0.9968
106	L	A	0.0000
107	P	A	0.4068
108	L	A	1.5634
109	F	A	0.5399
110	S	A	0.1078
111	L	A	0.4661
112	C	A	0.0000
113	R	A	-1.5188
114	S	A	-0.8857
115	L	A	-0.4692
116	P	A	-0.7572
117	A	A	-0.4201
118	K	A	-1.1205
119	Y	A	0.0000
120	D	A	-1.1894
121	Y	A	-0.3678
122	W	A	-0.0256
123	G	A	-0.3555
124	Q	A	-1.0495
125	G	A	0.0000
126	T	A	0.0000
127	Q	A	-1.0567
128	V	A	0.0000
129	T	A	-0.5891
130	V	A	0.0000
131	S	A	-1.1030
132	S	A	-1.1295
133	A	A	-0.9645
134	H	A	-2.0794
135	H	A	-2.4189
136	S	A	-2.6029
137	E	A	-3.4826
138	D	A	-3.2573
139	P	A	-1.8986
140	S	A	-1.2753
141	G	A	-1.0516
142	S	A	-0.0329
143	Y	A	1.0444
144	P	A	0.6151
145	Y	A	1.2571
146	D	A	-0.4469
147	V	A	0.9925
148	P	A	-0.0644
149	D	A	-1.0694
150	Y	A	0.5506
151	A	A	-0.1967
152	G	A	-0.4774
153	S	A	-0.4500
154	G	A	-0.6938
155	A	A	-0.1474
156	S	A	-0.2254
157	A	A	-0.0834
158	Y	A	0.2842
159	R	A	-1.7027
160	P	A	-1.4015
161	S	A	-2.1331
162	R	A	-2.6833
163	T	A	-1.3834
164	L	A	-1.1287
165	C	A	-0.4302
166	G	A	-1.0993
167	G	A	-1.6702
168	E	A	-2.4660
169	L	A	0.0000
170	V	A	0.0000
171	D	A	-2.3153
172	T	A	-0.7708
173	L	A	0.0000
174	Q	A	-1.1912
175	L	A	0.5005
176	V	A	0.2256
177	C	A	0.0000
178	G	A	-1.2051
179	D	A	-2.2958
180	R	A	-1.8817
181	G	A	-0.8736
182	F	A	-0.3922
183	Y	A	0.2293
184	F	A	0.0000
185	S	A	-0.9854
186	R	A	-1.4474
187	P	A	-1.3039
188	A	A	-1.7290
189	S	A	-1.4841
190	R	A	-1.7437
191	V	A	0.0644
192	S	A	-1.4758
193	R	A	-2.9188
194	R	A	-3.2600
195	P	A	-2.5930
196	R	A	-2.2891
197	G	A	-1.1694
198	I	A	0.0000
199	V	A	0.0000
200	E	A	-0.4220
201	E	A	-0.7869
202	C	A	0.0000
203	C	A	0.0000
204	F	A	0.7246
205	R	A	-1.3695
206	S	A	-1.5963
207	C	A	-1.1948
208	D	A	-1.3989
209	L	A	0.6447
210	A	A	0.1585
211	L	A	-0.0570
212	L	A	0.0000
213	E	A	-0.3525
214	T	A	-0.1185
215	Y	A	0.0000
216	C	A	-0.6148
217	A	A	-0.6361
218	T	A	-0.6790
219	P	A	-1.2375
220	A	A	-1.3332
221	K	A	-2.3208
222	S	A	-1.7474
223	E	A	-2.1800
224	A	A	-1.1381
225	A	A	-1.2405
226	A	A	-1.1505
227	L	A	-0.6678
228	E	A	-2.6831
229	H	A	-2.6245
230	H	A	-2.7582
231	H	A	-3.0468
232	H	A	-3.0656
233	H	A	-2.9435
234	H	A	-2.2125