Project name: AAB-PP3129

Chain sequence(s)	H: QVQLVESGGGVVQPGESLKISCAASGFTFSSYGMHWVRQAPGKGLEWVSAISGSGGSTYYADSVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCARSTYYYQESGYDYYFSPWGPGTLVTVSS; 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: -3.1639
• Maximal score value: 2.2969
• Average score: -0.5853
• Total score value: -135.7833

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	-1.3275
1	V	H	-0.6695
2	Q	H	-0.8277
3	L	H	0.0000
4	V	H	1.3728
5	E	H	0.0000
6	S	H	-0.1150
7	G	H	-0.7628
8	G	H	0.1540
9	G	H	0.9340
10	V	H	1.5564
11	V	H	0.0000
12	Q	H	-1.7870
13	P	H	-1.9126
14	G	H	-2.0626
15	E	H	-2.2269
16	S	H	-1.6140
17	L	H	-1.0046
18	K	H	-1.9324
19	I	H	0.0000
20	S	H	-0.3082
21	C	H	0.0000
22	A	H	0.0270
23	A	H	-0.3832
24	S	H	-0.5670
25	G	H	-0.8736
26	F	H	-0.2954
27	T	H	-0.1690
28	F	H	0.0000
29	S	H	-0.8252
30	S	H	-0.1802
31	Y	H	0.1510
32	G	H	-0.0528
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	-0.7208
39	A	H	-1.0360
40	P	H	-0.9783
41	G	H	-1.5066
42	K	H	-2.3850
43	G	H	-1.6222
44	L	H	0.0000
45	E	H	-1.2227
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	-0.3164
52	G	H	-0.4958
53	S	H	-0.7243
54	G	H	-0.8365
55	G	H	-0.7462
56	S	H	-0.2845
57	T	H	0.2683
58	Y	H	0.6584
59	Y	H	-0.3193
60	A	H	-1.1405
61	D	H	-2.3320
62	S	H	-1.7119
63	V	H	0.0000
64	K	H	-2.4218
65	G	H	-1.6982
66	R	H	-1.2535
67	F	H	0.0000
68	T	H	-0.6644
69	I	H	0.0000
70	S	H	-0.4661
71	R	H	-1.0945
72	D	H	-1.6518
73	N	H	-1.8038
74	S	H	-1.6320
75	K	H	-2.4351
76	N	H	-1.8560
77	T	H	-1.0007
78	L	H	0.0000
79	Y	H	-0.4624
80	L	H	0.0000
81	Q	H	-1.1191
82	M	H	0.0000
83	N	H	-1.7232
84	S	H	-1.6552
85	L	H	0.0000
86	R	H	-2.7701
87	A	H	-1.9100
88	E	H	-2.3125
89	D	H	0.0000
90	T	H	-0.4229
91	A	H	0.0000
92	V	H	0.9104
93	Y	H	0.0000
94	Y	H	0.0000
95	C	H	0.0000
96	A	H	0.0000
97	R	H	-0.2037
98	S	H	0.0000
99	T	H	0.4980
100	Y	H	1.5185
101	Y	H	1.5870
102	Y	H	0.9767
103	Q	H	-1.2183
104	E	H	-2.1465
105	S	H	-1.0216
106	G	H	-0.4198
107	Y	H	1.5774
108	D	H	1.3696
109	Y	H	1.4432
110	Y	H	0.6858
111	F	H	0.0000
112	S	H	-0.2640
113	P	H	-0.4887
114	W	H	-0.3795
115	G	H	0.0000
116	P	H	-0.3608
117	G	H	0.1979
118	T	H	0.7543
119	L	H	1.7451
120	V	H	0.0000
121	T	H	0.3763
122	V	H	0.0000
123	S	H	-0.6583
124	S	H	-0.5950
125	D	L	-1.9786
126	I	L	0.0000
127	Q	L	-2.1795
128	M	L	0.0000
129	T	L	-1.2806
130	Q	L	0.0000
131	S	L	-0.7315
132	P	L	-0.5968
133	S	L	-0.9588
134	S	L	-1.1318
135	L	L	-0.6504
136	S	L	-0.7030
137	A	L	0.0000
138	S	L	-0.1526
139	V	L	0.7078
140	G	L	-0.7127
141	D	L	-1.6708
142	R	L	-2.3442
143	V	L	0.0000
144	T	L	-0.6345
145	I	L	0.0000
146	T	L	-0.9486
147	C	L	0.0000
148	R	L	-3.0418
149	A	L	0.0000
150	S	L	-2.2567
151	Q	L	-2.8565
152	H	L	-2.5508
153	I	L	0.0000
154	R	L	-2.5804
155	S	L	-1.4415
156	S	L	-0.3820
157	L	L	0.0000
158	A	L	0.0000
159	W	L	0.0000
160	Y	L	0.0000
161	Q	L	-1.0097
162	Q	L	0.0000
163	K	L	-2.1822
164	P	L	-1.4674
165	G	L	-1.6542
166	K	L	-2.5536
167	A	L	-1.5306
168	P	L	0.0000
169	K	L	-2.0053
170	L	L	-0.7618
171	L	L	0.0000
172	I	L	0.0000
173	Y	L	-0.0317
174	G	L	-0.7615
175	A	L	0.0000
176	S	L	-0.7584
177	S	L	-0.7870
178	R	L	-1.6108
179	A	L	-0.8472
180	T	L	-0.5831
181	G	L	-0.9173
182	I	L	0.0000
183	P	L	-1.3867
184	D	L	-2.3071
185	R	L	-1.6227
186	F	L	0.0000
187	S	L	-1.0282
188	G	L	-0.5737
189	S	L	-0.8419
190	G	L	-1.4528
191	S	L	-1.8427
192	G	L	-2.4361
193	T	L	-2.6667
194	D	L	-3.1639
195	F	L	0.0000
196	T	L	-0.9111
197	L	L	0.0000
198	T	L	-0.6136
199	I	L	0.0000
200	S	L	-1.6853
201	S	L	-1.2950
202	L	L	0.0000
203	Q	L	-0.7805
204	P	L	-0.6497
205	E	L	-1.8875
206	D	L	0.0000
207	F	L	-0.5679
208	A	L	0.0000
209	T	L	-1.2475
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	1.3247
216	Y	L	1.7065
217	I	L	2.2969
218	T	L	0.9259
219	P	L	0.1133
220	Y	L	0.3022
221	T	L	-0.3791
222	F	L	-0.4547
223	G	L	0.0000
224	Q	L	-1.5937
225	G	L	0.0000
226	T	L	0.0000
227	K	L	-2.1434
228	V	L	0.0000
229	E	L	-0.9095
230	I	L	0.9365
231	K	L	-0.7866