Project name: 56be3be269f6869 [mutate: TD30A]

Chain sequence(s)	A: QVQLVQSGSELKKPGASSVKVSCKASGYTFTQNNMDWVRQAPGQGLEWMGDINTRSGGVVIIYYNEEFQDRLIMMTVDKSSTDTAYMMELSSLRSSEDTATYHCARRKSYGYYLDVWGEGTLVTVSSASTTKGPSVFPLAPCSRTSESTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYTCNVDHKPSNNTKVDKRVES
Selected Chain(s)	A
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No
Mutated residues	TD30A
Energy difference between WT (input) and mutated protein (by FoldX)	-0.00535891 kcal/mol

Simulation log

[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       FoldX:    Building mutant model                                                       (00:02:33)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:02:43)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:04:08)
[INFO]       Main:     Simulation completed successfully.                                          (00:04:09)

• Minimal score value: -3.3463
• Maximal score value: 2.4575
• Average score: -0.5715
• Total score value: -124.5837

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	Q	A	-1.4336
2	V	A	-0.5933
3	Q	A	-1.0181
4	L	A	0.0000
5	V	A	0.6742
6	Q	A	-0.2013
7	S	A	-0.7369
8	G	A	-0.9165
9	S	A	-1.1905
10	E	A	-1.6127
11	L	A	-1.0078
12	K	A	-1.5782
13	K	A	-2.3811
14	P	A	-2.1475
15	G	A	-1.5259
16	A	A	-1.1836
17	S	A	-1.2653
18	V	A	0.0000
19	K	A	-1.8117
20	V	A	0.0000
21	S	A	-0.5216
22	C	A	0.0000
23	K	A	-1.0762
24	A	A	0.0000
25	S	A	-0.8589
26	G	A	-0.9266
27	Y	A	-0.6141
28	T	A	-0.6378
29	F	A	0.0000
30	D	A	-2.2698	mutated: TD30A
31	Q	A	-1.4707
32	N	A	0.0000
33	N	A	-0.8886
34	M	A	0.0000
35	D	A	0.0000
36	W	A	0.0000
37	V	A	0.0000
38	R	A	-0.3320
39	Q	A	-0.7337
40	A	A	-1.1206
41	P	A	-1.0509
42	G	A	-1.1974
43	Q	A	-1.6216
44	G	A	-0.7010
45	L	A	0.5837
46	E	A	-0.1121
47	W	A	0.3215
48	M	A	0.0000
49	G	A	0.0000
50	D	A	0.0000
51	I	A	0.0000
52	N	A	-1.0994
53	T	A	0.0000
54	R	A	-2.7084
55	S	A	-1.5294
56	G	A	-1.2740
57	G	A	-0.3248
58	V	A	1.0123
59	I	A	1.5471
60	Y	A	0.0108
61	N	A	-1.3051
62	E	A	-3.1252
63	E	A	-3.3463
64	F	A	0.0000
65	Q	A	-2.4464
66	D	A	-2.7068
67	R	A	0.0000
68	L	A	0.0000
69	I	A	0.8668
70	M	A	0.0000
71	T	A	0.0068
72	V	A	-1.2562
73	D	A	-2.0414
74	K	A	-2.8710
75	S	A	-1.4899
76	T	A	-1.4868
77	D	A	-2.1251
78	T	A	-1.2938
79	A	A	0.0000
80	Y	A	-0.3043
81	M	A	0.0000
82	E	A	-0.7153
83	L	A	0.0000
84	S	A	-0.8742
85	S	A	-1.2252
86	L	A	0.0000
87	R	A	-2.6101
88	S	A	-2.1862
89	E	A	-2.3981
90	D	A	0.0000
91	T	A	-1.0321
92	A	A	0.0000
93	T	A	-0.3248
94	Y	A	0.0000
95	H	A	-0.2871
96	C	A	0.0000
97	A	A	0.0000
98	R	A	-0.2152
99	R	A	0.0053
100	K	A	-0.0051
101	S	A	0.1328
102	Y	A	1.3326
103	G	A	1.1655
104	Y	A	1.8543
105	Y	A	1.7375
106	L	A	0.6045
107	D	A	-0.3362
108	V	A	-0.1194
109	W	A	0.0333
110	G	A	0.0000
111	E	A	-1.5233
112	G	A	-0.8452
113	T	A	0.0000
114	L	A	-0.4569
115	V	A	0.0000
116	T	A	-0.9565
117	V	A	0.0000
118	S	A	-1.3635
119	S	A	-0.9376
120	A	A	-0.5903
121	S	A	-0.6729
122	T	A	-0.8697
123	K	A	-1.3161
124	G	A	-1.5681
125	P	A	0.0000
126	S	A	-0.3313
127	V	A	0.0000
128	F	A	0.7768
129	P	A	0.2397
130	L	A	0.9317
131	A	A	0.2801
132	P	A	-0.2206
133	C	A	0.1785
134	S	A	-0.7874
135	R	A	-2.0429
137	T	A	-1.2256
138	S	A	-1.4806
139	E	A	-2.3411
140	S	A	-1.3220
141	T	A	-0.9284
142	A	A	-0.7389
143	A	A	0.1141
144	L	A	0.0000
145	G	A	0.0000
146	C	A	0.0000
147	L	A	0.6553
148	V	A	0.0000
149	K	A	-0.3154
150	D	A	-0.5238
151	Y	A	0.0000
152	F	A	-0.2423
153	P	A	0.0000
154	E	A	-0.4343
155	P	A	-0.6993
156	V	A	-0.5753
157	T	A	-0.4995
158	V	A	-0.1325
159	S	A	-0.5400
160	W	A	0.0000
161	N	A	-1.0609
162	S	A	-0.7571
163	G	A	-0.5371
164	A	A	-0.2403
165	L	A	-0.0755
166	T	A	-0.2809
167	S	A	-0.3268
168	G	A	-0.4030
169	V	A	0.0042
170	H	A	-0.5116
171	T	A	0.2039
172	F	A	1.0784
173	P	A	0.7793
174	A	A	1.3274
175	V	A	2.4575
176	L	A	2.1013
177	Q	A	0.6110
178	S	A	0.0099
179	S	A	-0.2903
180	G	A	-0.0512
181	L	A	0.2448
182	Y	A	0.8103
183	S	A	0.7215
184	L	A	0.0000
185	S	A	0.6677
186	S	A	0.0000
187	V	A	0.3851
188	V	A	0.0000
189	T	A	-0.2258
190	V	A	0.0000
191	P	A	-0.6513
192	S	A	-0.7606
193	S	A	-0.6523
194	S	A	-0.4059
195	L	A	-0.3363
196	G	A	-0.6973
197	T	A	-0.6270
198	Q	A	-0.8916
199	T	A	-0.9987
200	Y	A	0.0000
201	T	A	-1.7822
202	C	A	0.0000
203	N	A	-1.6864
204	V	A	0.0000
205	D	A	-1.8062
206	H	A	0.0000
207	K	A	-2.8962
208	P	A	-1.8436
209	S	A	-1.9248
210	N	A	-2.6858
211	T	A	-2.0881
212	K	A	-2.6550
213	V	A	-1.6028
214	D	A	-2.8249
215	K	A	-2.2156
216	R	A	-2.6121
217	V	A	-1.1383
218	E	A	-1.1997
219	S	A	-1.0258