Project name: 1db9fdd24878693 [mutate: EK39L, YW166L, NM168L, SF192L]

Chain sequence(s)	P: HHHH; L: DILMTQTPSSLPVSLGDQASISCRSSQSIVHSNGNTYLEWYLQKPGQSPKLLIYKVSNRFSGVPDRFSGSGSGTDFTLKISRVEAEDLGVYYCFQGSHVPFTFGSGTKLEIKRGGQVQLQQSGPEDVKPGASVKISCKASGYTFTDYYMNWVKQSPGKGLEWIGDINPNNGGTSYNQKFKGRATLTVDKSSSTAYMELRSLTSEDSSVYYCESQSGAYWGQGTTVTVSA
Selected Chain(s)	P,L
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No
Mutated residues	YW166L,NM168L,SF192L,EK39L
Energy difference between WT (input) and mutated protein (by FoldX)	-5.01515 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 all 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                                                       (00:04:33)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:09:06)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:11:11)
[INFO]       Main:     Simulation completed successfully.                                          (00:11:13)

• Minimal score value: -3.0688
• Maximal score value: 0.5474
• Average score: -0.7919
• Total score value: -184.5035

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	D	L	-1.5100
2	I	L	0.0000
3	L	L	0.5443
4	M	L	0.0000
5	T	L	-0.5963
6	Q	L	0.0000
7	T	L	-0.5473
8	P	L	-0.4326
9	S	L	-0.5730
10	S	L	-0.7359
11	L	L	-0.6533
12	P	L	-1.2299
13	V	L	0.0000
14	S	L	-1.2472
15	L	L	-0.1854
16	G	L	-1.5413
17	D	L	-2.4681
18	Q	L	-2.8758
19	A	L	0.0000
20	S	L	-1.1163
21	I	L	0.0000
22	S	L	-1.0977
23	C	L	0.0000
24	R	L	-2.3017
25	S	L	0.0000
26	S	L	-0.9513
27	Q	L	-1.2794
28	S	L	-0.6926
29	I	L	0.0000
30	V	L	0.5474
31	H	L	0.0000
32	S	L	-0.9468
33	N	L	-1.5857
34	G	L	-0.9832
35	N	L	-0.8424
36	T	L	-0.3017
37	Y	L	0.0000
38	L	L	0.0000
39	K	L	0.0000	mutated: EK39L
40	W	L	0.0000
41	Y	L	0.0000
42	L	L	0.0000
43	Q	L	-0.8552
44	K	L	-1.2175
45	P	L	-0.8183
46	G	L	-1.1937
47	Q	L	-1.5656
48	S	L	-1.1304
49	P	L	0.0000
50	K	L	-1.1895
51	L	L	0.0000
52	L	L	0.0000
53	I	L	0.0000
54	Y	L	-0.3934
55	K	L	-1.0301
56	V	L	-0.7032
57	S	L	-0.9245
58	N	L	-1.4819
59	R	L	-1.4855
60	F	L	-0.5781
61	S	L	-0.4705
62	G	L	-0.7048
63	V	L	-0.7769
64	P	L	-1.2338
65	D	L	-2.4276
66	R	L	-2.3253
67	F	L	0.0000
68	S	L	-1.6050
69	G	L	-1.2717
70	S	L	-1.0678
71	G	L	-1.1305
72	S	L	-0.8419
73	G	L	-0.7388
74	T	L	-1.5204
75	D	L	-2.2438
76	F	L	0.0000
77	T	L	-1.2020
78	L	L	0.0000
79	K	L	-2.5449
80	I	L	0.0000
81	S	L	-2.6710
82	R	L	-3.0688
83	V	L	0.0000
84	E	L	-1.9860
85	A	L	-1.0254
86	E	L	-2.1045
87	D	L	0.0000
88	L	L	-0.7013
89	G	L	0.0000
90	V	L	-0.3346
91	Y	L	0.0000
92	Y	L	0.0000
93	C	L	0.0000
94	F	L	0.0000
95	Q	L	0.0000
96	G	L	0.0000
97	S	L	0.0000
98	H	L	-0.5255
99	V	L	-0.0251
100	P	L	0.0000
101	F	L	0.0000
102	T	L	0.0307
103	F	L	0.0000
104	G	L	0.0000
105	S	L	-0.5186
106	G	L	0.0000
107	T	L	0.0000
108	K	L	-1.0572
109	L	L	0.0000
110	E	L	-1.3875
111	I	L	-1.2678
112	K	L	-2.5917
113	R	L	-3.0405
131	G	L	-1.9105
132	G	L	-1.2575
134	Q	L	-1.4271
135	V	L	-0.8435
136	Q	L	-1.8400
137	L	L	0.0000
138	Q	L	-2.1725
139	Q	L	0.0000
140	S	L	-1.2173
141	G	L	-0.9634
142	P	L	-1.2272
143	E	L	-2.1119
144	D	L	-2.5489
145	V	L	-1.9149
146	K	L	-2.2769
147	P	L	-1.8370
148	G	L	-1.3693
149	A	L	-1.2560
150	S	L	-1.7634
151	V	L	0.0000
152	K	L	-2.2709
153	I	L	0.0000
154	S	L	-0.8744
155	C	L	0.0000
156	K	L	-1.6168
157	A	L	0.0000
158	S	L	-1.1661
159	G	L	-0.9560
160	Y	L	-0.5734
161	T	L	-0.5060
162	F	L	0.0000
163	T	L	-1.6750
164	D	L	-1.7368
165	Y	L	-0.3822
166	W	L	-0.1246	mutated: YW166L
167	M	L	0.0000
168	M	L	0.0000	mutated: NM168L
169	W	L	0.0000
170	V	L	0.0000
171	K	L	-0.4851
172	Q	L	-0.7194
173	S	L	-1.1815
174	P	L	-1.0598
175	G	L	-1.7782
176	K	L	-2.2513
177	G	L	-1.4474
178	L	L	0.0000
179	E	L	-0.8712
180	W	L	0.0000
181	I	L	0.0000
182	G	L	0.0000
183	D	L	0.0000
184	I	L	0.0000
185	N	L	-1.0896
186	P	L	0.0000
187	N	L	-2.6406
188	N	L	-2.1621
189	G	L	-1.3785
190	G	L	-0.9147
191	T	L	-0.0533
192	F	L	0.5145	mutated: SF192L
193	Y	L	0.0075
194	N	L	0.0000
195	Q	L	-2.1913
196	K	L	-2.3168
197	F	L	0.0000
198	K	L	-2.7376
199	G	L	-1.9824
200	R	L	-2.0229
201	A	L	0.0000
202	T	L	-0.7398
203	L	L	0.0000
204	T	L	-0.1394
205	V	L	-0.8838
206	D	L	-1.6087
207	K	L	-2.2936
208	S	L	-1.2514
209	S	L	-1.0898
210	S	L	-1.1807
211	T	L	0.0000
212	A	L	0.0000
213	Y	L	-0.4505
214	M	L	0.0000
215	E	L	-1.7456
216	L	L	0.0000
217	R	L	-2.2493
218	S	L	-1.4347
219	L	L	0.0000
220	T	L	-1.4570
221	S	L	-1.4630
222	E	L	-2.0633
223	D	L	0.0000
224	S	L	-1.0863
225	S	L	0.0000
226	V	L	0.0763
227	Y	L	0.0000
228	Y	L	0.0000
229	C	L	0.0000
230	E	L	0.0000
231	S	L	0.0000
232	Q	L	-0.0198
233	S	L	0.1149
234	G	L	0.0000
235	A	L	0.0380
236	Y	L	-0.0430
237	W	L	-0.6149
238	G	L	0.0000
239	Q	L	-1.7239
240	G	L	-0.9930
241	T	L	0.0000
242	T	L	-0.7151
243	V	L	0.0000
244	T	L	-1.4323
245	V	L	0.0000
246	S	L	-1.3244
247	A	L	-0.9191
3	H	P	-1.3182
4	H	P	-0.6383
5	H	P	-0.7220
6	H	P	0.0000