Project name: AAB-PP3119

Chain sequence(s)	H: QVQLVESGGGVVQPGESLKISCAASGFTFSSYGMHWVRQAPGKGLEWVSAISGSGGTAFYADSVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCARSTYYYGASGYDYYFEPWGPGTLVTVSS; 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                                          (00:00:01)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:02)

• Minimal score value: -3.1595
• Maximal score value: 2.0705
• Average score: -0.5552
• Total score value: -128.797

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	-1.2806
1	V	H	-0.6540
2	Q	H	-0.6224
3	L	H	0.0000
4	V	H	1.3911
5	E	H	0.0000
6	S	H	-0.1253
7	G	H	-0.7670
8	G	H	0.1446
9	G	H	0.9246
10	V	H	1.5526
11	V	H	0.0000
12	Q	H	-1.7776
13	P	H	-2.0810
14	G	H	-2.0368
15	E	H	-2.1779
16	S	H	-1.5859
17	L	H	-0.9934
18	K	H	-1.9323
19	I	H	0.0000
20	S	H	-0.3153
21	C	H	0.0000
22	A	H	0.0504
23	A	H	-0.3289
24	S	H	-0.5066
25	G	H	-0.8313
26	F	H	-0.2838
27	T	H	-0.1923
28	F	H	0.0000
29	S	H	-0.8502
30	S	H	-0.1091
31	Y	H	0.2078
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	-0.7218
39	A	H	-1.0372
40	P	H	-0.9825
41	G	H	-1.5065
42	K	H	-2.3871
43	G	H	-1.6255
44	L	H	0.0000
45	E	H	-1.2511
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	-0.2607
52	G	H	-0.5320
53	S	H	-0.7477
54	G	H	-0.8492
55	G	H	-0.7230
56	T	H	-0.1189
57	A	H	0.5477
58	F	H	1.1046
59	Y	H	-0.1042
60	A	H	-1.0733
61	D	H	-2.2886
62	S	H	-1.7151
63	V	H	0.0000
64	K	H	-2.3581
65	G	H	-1.6948
66	R	H	-1.2444
67	F	H	0.0000
68	T	H	-0.6001
69	I	H	0.0000
70	S	H	-0.4556
71	R	H	-1.1005
72	D	H	-1.6520
73	N	H	-1.8105
74	S	H	-1.6313
75	K	H	-2.4372
76	N	H	-1.8637
77	T	H	-1.0034
78	L	H	0.0000
79	Y	H	-0.4623
80	L	H	0.0000
81	Q	H	-1.1143
82	M	H	0.0000
83	N	H	-1.7014
84	S	H	-1.6370
85	L	H	0.0000
86	R	H	-2.7598
87	A	H	-1.9126
88	E	H	-2.3323
89	D	H	0.0000
90	T	H	-0.4080
91	A	H	0.0000
92	V	H	0.9023
93	Y	H	0.0000
94	Y	H	0.0000
95	C	H	0.0000
96	A	H	0.0000
97	R	H	-0.2989
98	S	H	0.0000
99	T	H	0.8038
100	Y	H	2.0070
101	Y	H	1.7235
102	Y	H	1.6067
103	G	H	0.1608
104	A	H	-0.0085
105	S	H	0.0704
106	G	H	0.3036
107	Y	H	1.6192
108	D	H	1.2459
109	Y	H	1.5525
110	Y	H	0.5837
111	F	H	0.0000
112	E	H	-0.8624
113	P	H	-0.8057
114	W	H	0.0000
115	G	H	0.0000
116	P	H	-0.3679
117	G	H	0.1698
118	T	H	0.7473
119	L	H	1.7382
120	V	H	0.0000
121	T	H	0.3722
122	V	H	0.0000
123	S	H	-0.6640
124	S	H	-0.5968
125	D	L	-2.0064
126	I	L	0.0000
127	Q	L	-2.1926
128	M	L	0.0000
129	T	L	-1.2817
130	Q	L	0.0000
131	S	L	-0.7315
132	P	L	-0.5982
133	S	L	-0.9637
134	S	L	-1.1336
135	L	L	-0.6524
136	S	L	-0.7043
137	A	L	0.0000
138	S	L	-0.1484
139	V	L	0.7175
140	G	L	-0.7083
141	D	L	-1.6689
142	R	L	-2.3426
143	V	L	0.0000
144	T	L	-0.6344
145	I	L	0.0000
146	T	L	-0.9694
147	C	L	0.0000
148	R	L	-3.0419
149	A	L	0.0000
150	S	L	-2.2562
151	Q	L	-2.8578
152	H	L	-2.5756
153	I	L	0.0000
154	R	L	-2.6068
155	S	L	-1.4968
156	S	L	-0.4121
157	L	L	0.0000
158	A	L	0.0000
159	W	L	0.0000
160	Y	L	0.0000
161	Q	L	-0.9748
162	Q	L	0.0000
163	K	L	-2.1559
164	P	L	-1.4648
165	G	L	-1.6522
166	K	L	-2.5375
167	A	L	-1.5365
168	P	L	0.0000
169	K	L	-1.9942
170	L	L	0.0000
171	L	L	0.0000
172	I	L	0.0000
173	Y	L	-0.2601
174	G	L	-0.8997
175	A	L	0.0000
176	S	L	-0.8118
177	S	L	-0.8542
178	R	L	-1.6955
179	A	L	-0.9829
180	T	L	-0.6042
181	G	L	-0.9196
182	I	L	0.0000
183	P	L	-1.3876
184	D	L	-2.3082
185	R	L	-1.6190
186	F	L	0.0000
187	S	L	-1.0280
188	G	L	-0.6052
189	S	L	-0.8347
190	G	L	-1.4404
191	S	L	-1.8367
192	G	L	-2.4348
193	T	L	-2.6655
194	D	L	-3.1595
195	F	L	0.0000
196	T	L	-0.9084
197	L	L	0.0000
198	T	L	-0.6133
199	I	L	0.0000
200	S	L	-1.6828
201	S	L	-1.2897
202	L	L	0.0000
203	Q	L	-0.7792
204	P	L	-0.6494
205	E	L	-1.8871
206	D	L	0.0000
207	F	L	-0.5665
208	A	L	0.0000
209	T	L	-1.2465
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	1.2803
216	Y	L	1.5418
217	I	L	2.0705
218	T	L	0.8666
219	P	L	0.0553
220	Y	L	0.0000
221	T	L	-0.4667
222	F	L	-0.4845
223	G	L	0.0000
224	Q	L	-1.5944
225	G	L	0.0000
226	T	L	0.0000
227	K	L	-2.1440
228	V	L	0.0000
229	E	L	-0.9099
230	I	L	0.9385
231	K	L	-0.7859