Project name: AAB-PP3124

Chain sequence(s)	H: QVQLVESGGGVVQPGESLKISCAASGFTFSSYGMHWVRQAPGKGLEWVSAISGSGGSTYYADSVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCARSTYYYDASGYDYYFSPWGPGTLVTVSS; L: DIQMTQSPSSLSASVGDRVTITCRASQHIRSSLAWYQQKPGKAPKLLIYGASSRATGIPDRFSGSGSGTDFTLTISSLQPEDFATYYCQHTYITPYTFGQGTKVEIK
Selected Chain(s)	H,L
Distance of aggregation	10 Å
FoldX usage	No
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]       runJob:   FoldX not utilized. Treating input pdb file as it was already optimized.    (00:00:00)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:00)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:02)

• Minimal score value: -3.1638
• Maximal score value: 2.1912
• Average score: -0.5698
• Total score value: -132.1986

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
0	Q	H	-1.3236
1	V	H	-0.6631
2	Q	H	-0.8166
3	L	H	0.0000
4	V	H	1.3635
5	E	H	0.0000
6	S	H	-0.1180
7	G	H	-0.7610
8	G	H	0.1528
9	G	H	0.9321
10	V	H	1.5552
11	V	H	0.0000
12	Q	H	-1.7834
13	P	H	-2.0894
14	G	H	-2.0607
15	E	H	-2.2257
16	S	H	-1.6151
17	L	H	-1.0051
18	K	H	-1.9341
19	I	H	0.0000
20	S	H	-0.3116
21	C	H	0.0000
22	A	H	0.0210
23	A	H	0.0000
24	S	H	-0.5665
25	G	H	-0.8707
26	F	H	-0.2956
27	T	H	-0.1759
28	F	H	0.0000
29	S	H	-0.8350
30	S	H	-0.1418
31	Y	H	0.1968
32	G	H	-0.0172
33	M	H	0.0000
34	H	H	0.0000
35	W	H	0.0000
36	V	H	0.0000
37	R	H	0.0000
38	Q	H	-0.7225
39	A	H	-1.0386
40	P	H	-0.9803
41	G	H	-1.5072
42	K	H	-2.3871
43	G	H	-1.6287
44	L	H	0.0000
45	E	H	-1.2503
46	W	H	0.0000
47	V	H	0.0000
48	S	H	0.0000
49	A	H	0.0000
50	I	H	0.0000
51	S	H	-0.3282
52	G	H	-0.4106
53	S	H	-0.7282
54	G	H	-0.8345
55	G	H	-0.7445
56	S	H	-0.2853
57	T	H	0.2553
58	Y	H	0.6236
59	Y	H	-0.3389
60	A	H	-1.1687
61	D	H	-2.3356
62	S	H	-1.7210
63	V	H	0.0000
64	K	H	-2.4264
65	G	H	-1.7010
66	R	H	-1.2550
67	F	H	0.0000
68	T	H	-0.6712
69	I	H	0.0000
70	S	H	-0.4651
71	R	H	-1.0920
72	D	H	-1.6485
73	N	H	-1.8004
74	S	H	-1.6281
75	K	H	-2.4345
76	N	H	-1.8558
77	T	H	-1.0010
78	L	H	0.0000
79	Y	H	-0.4632
80	L	H	0.0000
81	Q	H	-1.1256
82	M	H	0.0000
83	N	H	-1.7289
84	S	H	-1.6572
85	L	H	0.0000
86	R	H	-2.7562
87	A	H	-1.9059
88	E	H	-2.3275
89	D	H	0.0000
90	T	H	-0.4226
91	A	H	0.0000
92	V	H	0.9053
93	Y	H	0.0000
94	Y	H	0.0000
95	C	H	0.0000
96	A	H	0.0000
97	R	H	-0.1231
98	S	H	0.0000
99	T	H	0.8121
100	Y	H	1.8557
101	Y	H	1.9783
102	Y	H	1.4405
103	D	H	-0.5478
104	A	H	-0.3585
105	S	H	-0.3534
106	G	H	0.0794
107	Y	H	1.8623
108	D	H	1.4369
109	Y	H	1.4834
110	Y	H	0.6212
111	F	H	0.0000
112	S	H	-0.2634
113	P	H	-0.4897
114	W	H	-0.3800
115	G	H	0.0000
116	P	H	-0.3633
117	G	H	0.1939
118	T	H	0.7528
119	L	H	1.7424
120	V	H	0.0000
121	T	H	0.3740
122	V	H	0.0000
123	S	H	-0.6596
124	S	H	-0.5933
125	D	L	-2.0059
126	I	L	0.0000
127	Q	L	-2.1957
128	M	L	0.0000
129	T	L	-1.2831
130	Q	L	0.0000
131	S	L	-0.7328
132	P	L	-0.5960
133	S	L	-0.9591
134	S	L	-1.1301
135	L	L	-0.6502
136	S	L	-0.7028
137	A	L	0.0000
138	S	L	-0.1534
139	V	L	0.7073
140	G	L	-0.7131
141	D	L	-1.6713
142	R	L	-2.3441
143	V	L	0.0000
144	T	L	-0.6348
145	I	L	0.0000
146	T	L	-0.9483
147	C	L	0.0000
148	R	L	-3.0423
149	A	L	0.0000
150	S	L	-2.2586
151	Q	L	-2.7567
152	H	L	-2.5527
153	I	L	0.0000
154	R	L	-2.5819
155	S	L	-1.4449
156	S	L	-0.3958
157	L	L	0.0000
158	A	L	0.0000
159	W	L	0.0000
160	Y	L	0.0000
161	Q	L	-1.0042
162	Q	L	0.0000
163	K	L	-2.1795
164	P	L	-1.4668
165	G	L	-1.6542
166	K	L	-2.5514
167	A	L	-1.5433
168	P	L	0.0000
169	K	L	-1.9884
170	L	L	-0.7526
171	L	L	0.0000
172	I	L	0.0000
173	Y	L	-0.0318
174	G	L	-0.7642
175	A	L	0.0000
176	S	L	-0.7604
177	S	L	-0.7890
178	R	L	-1.6123
179	A	L	-0.8463
180	T	L	-0.5830
181	G	L	-0.9177
182	I	L	0.0000
183	P	L	-1.3863
184	D	L	-2.3065
185	R	L	-1.6213
186	F	L	0.0000
187	S	L	-1.0282
188	G	L	-0.5743
189	S	L	-0.8414
190	G	L	-1.4518
191	S	L	-1.8434
192	G	L	-2.4390
193	T	L	-2.6686
194	D	L	-3.1638
195	F	L	0.0000
196	T	L	-0.9104
197	L	L	0.0000
198	T	L	-0.6136
199	I	L	0.0000
200	S	L	-1.6849
201	S	L	-1.2948
202	L	L	0.0000
203	Q	L	-0.7807
204	P	L	-0.6498
205	E	L	-1.8875
206	D	L	0.0000
207	F	L	-0.5659
208	A	L	0.0000
209	T	L	-1.2456
210	Y	L	0.0000
211	Y	L	0.0000
212	C	L	0.0000
213	Q	L	0.0000
214	H	L	0.0000
215	T	L	0.0000
216	Y	L	1.4902
217	I	L	2.1912
218	T	L	0.8556
219	P	L	0.0281
220	Y	L	0.0000
221	T	L	-0.4518
222	F	L	-0.4870
223	G	L	0.0000
224	Q	L	-1.6002
225	G	L	0.0000
226	T	L	0.0000
227	K	L	-2.1365
228	V	L	0.0000
229	E	L	-0.9079
230	I	L	0.9358
231	K	L	-0.7869