Project name: AAB-PP3127

Chain sequence(s)	H: QVQLVESGGGVVQPGESLKISCAASGFTFSSYGMHWVRQAPGKGLEWVSAISGSGGSTYYADSVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCARSTYYYGASGYDYYFEPWGPGTLVTVSS; 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: -3.1593
• Maximal score value: 2.0438
• Average score: -0.5622
• Total score value: -130.4374

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	-1.3099
1	V	H	-0.7019
2	Q	H	-0.8006
3	L	H	0.0000
4	V	H	1.3791
5	E	H	0.0000
6	S	H	-0.1179
7	G	H	-0.7692
8	G	H	0.1436
9	G	H	0.9278
10	V	H	1.5536
11	V	H	0.0000
12	Q	H	-1.7813
13	P	H	-1.9068
14	G	H	-2.0566
15	E	H	-2.2148
16	S	H	-1.6084
17	L	H	-1.0032
18	K	H	-1.9354
19	I	H	0.0000
20	S	H	-0.3135
21	C	H	0.0000
22	A	H	0.0344
23	A	H	-0.3682
24	S	H	-0.5501
25	G	H	-0.8572
26	F	H	-0.2993
27	T	H	-0.1842
28	F	H	0.0000
29	S	H	-0.8484
30	S	H	-0.1121
31	Y	H	0.2096
32	G	H	0.0112
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	-0.7255
39	A	H	-1.0375
40	P	H	-0.9807
41	G	H	-1.5076
42	K	H	-2.3901
43	G	H	-1.6357
44	L	H	0.0000
45	E	H	-1.2611
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	-0.3342
52	G	H	-0.5264
53	S	H	-0.7355
54	G	H	-0.8362
55	G	H	-0.7463
56	S	H	-0.2897
57	T	H	0.2598
58	Y	H	0.6400
59	Y	H	-0.3286
60	A	H	-1.1655
61	D	H	-2.3348
62	S	H	-1.7207
63	V	H	0.0000
64	K	H	-2.4250
65	G	H	-1.6994
66	R	H	-1.2541
67	F	H	0.0000
68	T	H	-0.6687
69	I	H	0.0000
70	S	H	-0.4671
71	R	H	-1.0928
72	D	H	-1.6511
73	N	H	-1.8041
74	S	H	-1.6324
75	K	H	-2.4356
76	N	H	-1.8567
77	T	H	-0.9977
78	L	H	0.0000
79	Y	H	-0.4644
80	L	H	0.0000
81	Q	H	-1.1249
82	M	H	0.0000
83	N	H	-1.7221
84	S	H	-1.6531
85	L	H	0.0000
86	R	H	-2.7629
87	A	H	-1.9100
88	E	H	-2.3099
89	D	H	0.0000
90	T	H	-0.4253
91	A	H	0.0000
92	V	H	0.9025
93	Y	H	0.0000
94	Y	H	0.0000
95	C	H	0.0000
96	A	H	0.0000
97	R	H	-0.3008
98	S	H	0.0000
99	T	H	0.8322
100	Y	H	1.9990
101	Y	H	1.7572
102	Y	H	1.5924
103	G	H	0.3877
104	A	H	-0.0952
105	S	H	-0.0947
106	G	H	0.3707
107	Y	H	1.5755
108	D	H	1.3840
109	Y	H	1.5030
110	Y	H	0.6179
111	F	H	0.0000
112	E	H	-0.8067
113	P	H	-0.8052
114	W	H	0.0000
115	G	H	0.0000
116	P	H	-0.3821
117	G	H	0.1759
118	T	H	0.7513
119	L	H	1.7399
120	V	H	0.0000
121	T	H	0.3685
122	V	H	0.0000
123	S	H	-0.6632
124	S	H	-0.5922
125	D	L	-2.0098
126	I	L	0.0000
127	Q	L	-2.1923
128	M	L	0.0000
129	T	L	-1.2858
130	Q	L	0.0000
131	S	L	-0.7345
132	P	L	-0.5983
133	S	L	-0.9676
134	S	L	-1.1334
135	L	L	-0.6520
136	S	L	-0.7041
137	A	L	0.0000
138	S	L	-0.1490
139	V	L	0.7172
140	G	L	-0.7089
141	D	L	-1.6688
142	R	L	-2.3426
143	V	L	0.0000
144	T	L	-0.6347
145	I	L	0.0000
146	T	L	-0.9693
147	C	L	0.0000
148	R	L	-3.0413
149	A	L	0.0000
150	S	L	-2.2566
151	Q	L	-2.8582
152	H	L	-2.5759
153	I	L	0.0000
154	R	L	-2.6009
155	S	L	-1.4918
156	S	L	-0.4057
157	L	L	0.0000
158	A	L	0.0000
159	W	L	0.0000
160	Y	L	0.0000
161	Q	L	-0.9659
162	Q	L	0.0000
163	K	L	-2.1518
164	P	L	-1.4655
165	G	L	-1.6523
166	K	L	-2.5328
167	A	L	-1.5295
168	P	L	0.0000
169	K	L	-1.9614
170	L	L	0.0000
171	L	L	0.0000
172	I	L	0.0000
173	Y	L	-0.2182
174	G	L	-0.8490
175	A	L	0.0000
176	S	L	-0.7945
177	S	L	-0.8370
178	R	L	-1.6862
179	A	L	-0.9741
180	T	L	-0.6046
181	G	L	-0.9199
182	I	L	0.0000
183	P	L	-1.3878
184	D	L	-2.3082
185	R	L	-1.6191
186	F	L	0.0000
187	S	L	-1.0285
188	G	L	-0.5972
189	S	L	-0.8303
190	G	L	-1.4372
191	S	L	-1.8312
192	G	L	-2.4331
193	T	L	-2.6645
194	D	L	-3.1593
195	F	L	0.0000
196	T	L	-0.9089
197	L	L	0.0000
198	T	L	-0.6133
199	I	L	0.0000
200	S	L	-1.6827
201	S	L	-1.2902
202	L	L	0.0000
203	Q	L	-0.7791
204	P	L	-0.6488
205	E	L	-1.8871
206	D	L	0.0000
207	F	L	-0.5658
208	A	L	0.0000
209	T	L	-1.2504
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	1.2675
216	Y	L	1.5145
217	I	L	2.0438
218	T	L	0.8255
219	P	L	-0.0040
220	Y	L	0.0000
221	T	L	-0.4694
222	F	L	-0.4913
223	G	L	0.0000
224	Q	L	-1.6146
225	G	L	0.0000
226	T	L	0.0000
227	K	L	-2.1467
228	V	L	0.0000
229	E	L	-0.9100
230	I	L	0.9385
231	K	L	-0.7858