Project name: AAB-PP3117

Chain sequence(s)	H: QVQLVESGGGVVQPGESLKISCAASGFTFSSYGMHWVRQAPGKGLEWVSAISGSGGTAFYADSVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCARSTYYYGGSGYDYYFEPWGPGTLVTVSS; 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]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with all chain(s) selected           (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       runJob:   FoldX not utilized. Treating input pdb file as it was already optimized.    (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:01)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:03)

• Minimal score value: -3.1597
• Maximal score value: 2.1017
• Average score: -0.563
• Total score value: -130.6195

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	-1.2903
1	V	H	-0.6754
2	Q	H	-0.6677
3	L	H	0.0000
4	V	H	1.3706
5	E	H	0.0000
6	S	H	-0.1316
7	G	H	-0.7756
8	G	H	0.1425
9	G	H	0.9196
10	V	H	1.5501
11	V	H	0.0000
12	Q	H	-1.7807
13	P	H	-2.0837
14	G	H	-2.0410
15	E	H	-2.1907
16	S	H	-1.5927
17	L	H	-0.9992
18	K	H	-1.9344
19	I	H	0.0000
20	S	H	-0.3165
21	C	H	0.0000
22	A	H	0.0371
23	A	H	0.0000
24	S	H	-0.5249
25	G	H	-0.8395
26	F	H	-0.2792
27	T	H	-0.1820
28	F	H	0.0000
29	S	H	-0.8329
30	S	H	-0.1185
31	Y	H	0.2164
32	G	H	0.0407
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	-0.7154
39	A	H	-1.0370
40	P	H	-0.9826
41	G	H	-1.5057
42	K	H	-2.3826
43	G	H	-1.6143
44	L	H	0.0000
45	E	H	-1.2256
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	-0.2519
52	G	H	-0.5137
53	S	H	-0.7396
54	G	H	-0.8486
55	G	H	-0.7233
56	T	H	-0.1089
57	A	H	0.5524
58	F	H	1.1111
59	Y	H	-0.1019
60	A	H	-1.0693
61	D	H	-2.2846
62	S	H	-1.7073
63	V	H	0.0000
64	K	H	-2.3542
65	G	H	-1.6912
66	R	H	-1.2426
67	F	H	0.0000
68	T	H	-0.5974
69	I	H	0.0000
70	S	H	-0.4539
71	R	H	-1.1003
72	D	H	-1.6524
73	N	H	-1.8134
74	S	H	-1.6326
75	K	H	-2.4384
76	N	H	-1.8664
77	T	H	-1.0079
78	L	H	0.0000
79	Y	H	-0.4603
80	L	H	0.0000
81	Q	H	-1.1102
82	M	H	0.0000
83	N	H	-1.7046
84	S	H	-1.6411
85	L	H	0.0000
86	R	H	-2.7623
87	A	H	-1.9114
88	E	H	-2.3340
89	D	H	0.0000
90	T	H	-0.4100
91	A	H	0.0000
92	V	H	0.9063
93	Y	H	0.0000
94	Y	H	0.0000
95	C	H	0.0000
96	A	H	0.0000
97	R	H	-0.3497
98	S	H	0.0000
99	T	H	0.7483
100	Y	H	1.9580
101	Y	H	1.6384
102	Y	H	1.3993
103	G	H	-0.0272
104	G	H	-0.5138
105	S	H	-0.3068
106	G	H	0.1634
107	Y	H	1.4083
108	D	H	1.0168
109	Y	H	1.3754
110	Y	H	0.4182
111	F	H	0.0000
112	E	H	-0.8689
113	P	H	-0.8172
114	W	H	0.0000
115	G	H	0.0000
116	P	H	-0.3729
117	G	H	0.1717
118	T	H	0.7474
119	L	H	1.7367
120	V	H	0.0000
121	T	H	0.3754
122	V	H	0.0000
123	S	H	-0.6583
124	S	H	-0.5983
125	D	L	-2.0060
126	I	L	0.0000
127	Q	L	-2.1932
128	M	L	0.0000
129	T	L	-1.2781
130	Q	L	0.0000
131	S	L	-0.7293
132	P	L	-0.5979
133	S	L	-0.9602
134	S	L	-1.1329
135	L	L	-0.6520
136	S	L	-0.7040
137	A	L	0.0000
138	S	L	-0.1442
139	V	L	0.7271
140	G	L	-0.7042
141	D	L	-1.6663
142	R	L	-2.3415
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	-2.8575
152	H	L	-2.5752
153	I	L	0.0000
154	R	L	-2.5927
155	S	L	-1.4435
156	S	L	-0.3948
157	L	L	0.0000
158	A	L	0.0000
159	W	L	0.0000
160	Y	L	0.0000
161	Q	L	-0.9782
162	Q	L	0.0000
163	K	L	-2.1608
164	P	L	-1.4668
165	G	L	-1.6540
166	K	L	-2.5401
167	A	L	-1.5697
168	P	L	0.0000
169	K	L	-2.0025
170	L	L	0.0000
171	L	L	0.0000
172	I	L	0.0000
173	Y	L	-0.2218
174	G	L	-0.7805
175	A	L	0.0000
176	S	L	-0.7680
177	S	L	-0.8078
178	R	L	-1.6760
179	A	L	-0.9808
180	T	L	-0.6051
181	G	L	-0.9206
182	I	L	0.0000
183	P	L	-1.3875
184	D	L	-2.3083
185	R	L	-1.6190
186	F	L	0.0000
187	S	L	-1.0269
188	G	L	-0.5855
189	S	L	-0.8187
190	G	L	-1.4283
191	S	L	-1.8233
192	G	L	-2.4355
193	T	L	-2.6654
194	D	L	-3.1597
195	F	L	0.0000
196	T	L	-0.9086
197	L	L	0.0000
198	T	L	-0.6135
199	I	L	0.0000
200	S	L	-1.6822
201	S	L	-1.2877
202	L	L	0.0000
203	Q	L	-0.7758
204	P	L	-0.6469
205	E	L	-1.8861
206	D	L	0.0000
207	F	L	-0.5651
208	A	L	0.0000
209	T	L	-1.2430
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	1.2064
216	Y	L	1.4683
217	I	L	2.1017
218	T	L	0.8664
219	P	L	0.0604
220	Y	L	0.0000
221	T	L	-0.4617
222	F	L	-0.4774
223	G	L	0.0000
224	Q	L	-1.5777
225	G	L	0.0000
226	T	L	0.0000
227	K	L	-2.1419
228	V	L	0.0000
229	E	L	-0.9096
230	I	L	0.9407
231	K	L	-0.7847