Project name: Tie2

Chain sequence(s)	A: QVQLQQPGAELVRPGASVKLSCKASGYSFTSYWMNWVKQRPGQGLEWIGMIHPSDSETRLNQKFMDKATLTVDKSSSTAYMQLSSPTSEDSAVYYCARGLYGNSWGQGTLVTVSAASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSC
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                                          (00:01:16)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:17)

• Minimal score value: -2.8669
• Maximal score value: 2.5221
• Average score: -0.5873
• Total score value: -128.0361

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	-1.4579
2	V	A	-1.0485
3	Q	A	-1.9102
4	L	A	0.0000
5	Q	A	-2.1028
6	Q	A	0.0000
7	P	A	-1.0073
8	G	A	-0.8436
9	A	A	-0.1691
10	E	A	-0.7554
11	L	A	0.0344
12	V	A	0.0000
13	R	A	-1.4649
14	P	A	-1.1139
15	G	A	-1.0630
16	A	A	-0.7810
17	S	A	-1.0751
18	V	A	-1.2334
19	K	A	-1.9938
20	L	A	0.0000
21	S	A	-0.8736
22	C	A	0.0000
23	K	A	-1.7554
24	A	A	0.0000
25	S	A	-1.2100
26	G	A	-1.0081
27	Y	A	-0.4053
28	S	A	-0.1398
29	F	A	0.0000
30	T	A	-0.5708
31	S	A	0.0311
32	Y	A	0.8687
33	W	A	0.7625
34	M	A	0.0000
35	N	A	0.0000
36	W	A	0.0000
37	V	A	0.0000
38	K	A	-0.1393
39	Q	A	-0.6530
40	R	A	-1.7382
41	P	A	-1.1795
42	G	A	-1.3946
43	Q	A	-1.8612
44	G	A	-0.8464
45	L	A	0.5756
46	E	A	-0.1581
47	W	A	0.3189
48	I	A	0.0000
49	G	A	0.0000
50	M	A	-0.3958
51	I	A	0.0000
52	H	A	-1.0015
53	P	A	0.0000
54	S	A	-1.4420
55	D	A	-2.5347
56	S	A	-2.1562
57	E	A	-2.5175
58	T	A	-1.8312
59	R	A	-2.2024
60	L	A	-1.2332
61	N	A	-1.5437
62	Q	A	-2.4040
63	K	A	-2.4886
64	F	A	0.0000
65	M	A	-1.4004
66	D	A	-2.1070
67	K	A	-1.5414
68	A	A	0.0000
69	T	A	-0.6850
70	L	A	0.0000
71	T	A	-0.8457
72	V	A	-0.9185
73	D	A	-1.5412
74	K	A	-2.1119
75	S	A	-1.1632
76	S	A	-1.0478
77	S	A	-1.1731
78	T	A	0.0000
79	A	A	0.0000
80	Y	A	-0.6017
81	M	A	0.0000
82	Q	A	-1.3916
83	L	A	0.0000
84	S	A	-1.1723
85	S	A	-1.0274
86	P	A	0.0000
87	T	A	-1.2302
88	S	A	-1.3663
89	E	A	-2.0765
90	D	A	0.0000
91	S	A	-0.8068
92	A	A	0.0000
93	V	A	0.0765
94	Y	A	0.0000
95	Y	A	0.2211
96	C	A	0.0000
97	A	A	0.0000
98	R	A	0.2811
99	G	A	0.0000
100	L	A	1.9201
101	Y	A	1.6037
102	G	A	0.5026
103	N	A	-0.5556
104	S	A	-0.3975
105	W	A	-0.0159
106	G	A	0.0000
107	Q	A	-1.3132
108	G	A	0.0000
109	T	A	0.0000
110	L	A	0.2603
111	V	A	0.0000
112	T	A	-0.3637
113	V	A	0.0000
114	S	A	-0.4789
115	A	A	-0.4936
116	A	A	-0.4310
117	S	A	-0.4346
118	T	A	-0.6731
119	K	A	-1.1515
120	G	A	-1.4691
121	P	A	0.0000
122	S	A	-0.0452
123	V	A	0.0000
124	F	A	1.2767
125	P	A	0.0716
126	L	A	0.4675
127	A	A	-0.7663
128	P	A	0.0000
129	S	A	-1.2145
130	S	A	-1.3414
131	K	A	-1.9204
132	S	A	-1.2114
133	T	A	-0.9674
134	S	A	-0.9153
135	G	A	-0.7833
136	G	A	-0.6195
137	T	A	-0.4412
138	A	A	0.0000
139	A	A	0.1123
140	L	A	0.0000
141	G	A	0.0000
142	C	A	0.0000
143	L	A	0.7841
144	V	A	0.0000
145	K	A	-0.2691
146	D	A	-0.7494
147	Y	A	0.0000
148	F	A	0.0000
149	P	A	-0.8791
150	E	A	-1.0677
151	P	A	-1.0992
152	V	A	-0.8425
153	T	A	-0.6305
154	V	A	-0.3590
155	S	A	-0.3754
156	W	A	0.0000
157	N	A	-0.7768
158	S	A	-0.6757
159	G	A	-0.5139
160	A	A	-0.2292
161	L	A	0.0093
162	T	A	-0.2583
163	S	A	-0.3384
164	G	A	-0.4050
165	V	A	0.1317
166	H	A	-0.3033
167	T	A	0.2130
168	F	A	0.8616
169	P	A	0.6561
170	A	A	1.1693
171	V	A	2.5221
172	L	A	2.1236
173	Q	A	0.7439
174	S	A	0.1514
175	S	A	-0.1892
176	G	A	0.2693
177	L	A	0.1969
178	Y	A	0.6709
179	S	A	0.0000
180	L	A	0.0000
181	S	A	0.6523
182	S	A	0.0000
183	V	A	0.5126
184	V	A	0.0000
185	T	A	-0.1737
186	V	A	0.0000
187	P	A	-0.5866
188	S	A	-0.7357
189	S	A	-0.6559
190	S	A	-0.5583
191	L	A	-0.8259
192	G	A	-1.0820
193	T	A	-0.8967
194	Q	A	-1.2496
195	T	A	-1.1257
196	Y	A	0.0000
197	I	A	-1.3863
198	C	A	0.0000
199	N	A	-1.5381
200	V	A	0.0000
201	N	A	-1.9772
202	H	A	0.0000
203	K	A	-2.8251
204	P	A	-1.6979
205	S	A	-1.8362
206	N	A	-2.6077
207	T	A	-2.0530
208	K	A	-2.7321
209	V	A	-1.8050
210	D	A	-2.6464
211	K	A	-2.1410
212	K	A	-2.3358
213	V	A	0.0000
214	E	A	-2.8669
215	P	A	-1.8634
216	K	A	-2.1604
217	S	A	-0.9791
218	C	A	0.1301