Project name: AAB-PP3133

Chain sequence(s)	H: QVQLVESGGGVVQPGESLKISCAASGFTFSSYAMHWVRQAPGKGLEWVSAISGSGGTAFYADSVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCARSTYYYGASGYDYYFSPWGPGTLVTVSS; 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.                                          (00:00:03)

• Minimal score value: -3.1599
• Maximal score value: 2.0691
• Average score: -0.5596
• Total score value: -129.8185

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	-1.3171
1	V	H	-0.6519
2	Q	H	-0.7387
3	L	H	0.0000
4	V	H	1.4211
5	E	H	0.0000
6	S	H	-0.1185
7	G	H	-0.7714
8	G	H	0.1410
9	G	H	0.9276
10	V	H	1.5562
11	V	H	0.0000
12	Q	H	-1.7790
13	P	H	-1.8992
14	G	H	-2.0390
15	E	H	-2.1846
16	S	H	-1.5903
17	L	H	-0.9949
18	K	H	-1.9377
19	I	H	0.0000
20	S	H	-0.3142
21	C	H	0.0000
22	A	H	0.0446
23	A	H	-0.3546
24	S	H	-0.5464
25	G	H	-0.8642
26	F	H	-0.3051
27	T	H	-0.1939
28	F	H	0.0000
29	S	H	-0.6606
30	S	H	-0.0891
31	Y	H	0.2538
32	A	H	0.1297
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	-0.7219
39	A	H	-1.0431
40	P	H	-0.9822
41	G	H	-1.5043
42	K	H	-2.3898
43	G	H	-1.6295
44	L	H	0.0000
45	E	H	-1.2678
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	-0.2015
52	G	H	-0.4879
53	S	H	-0.7317
54	G	H	-0.8329
55	G	H	-0.7209
56	T	H	-0.0847
57	A	H	0.6051
58	F	H	1.2068
59	Y	H	-0.0526
60	A	H	-1.0505
61	D	H	-2.2759
62	S	H	-1.7122
63	V	H	0.0000
64	K	H	-2.3433
65	G	H	-1.6973
66	R	H	-1.2503
67	F	H	0.0000
68	T	H	-0.5923
69	I	H	0.0000
70	S	H	-0.4560
71	R	H	-1.0905
72	D	H	-1.6526
73	N	H	-1.8071
74	S	H	-1.6309
75	K	H	-2.4213
76	N	H	-1.8642
77	T	H	-0.9999
78	L	H	0.0000
79	Y	H	-0.4605
80	L	H	0.0000
81	Q	H	-1.1220
82	M	H	0.0000
83	N	H	-1.7072
84	S	H	-1.6408
85	L	H	0.0000
86	R	H	-2.7636
87	A	H	-1.9131
88	E	H	-2.3112
89	D	H	0.0000
90	T	H	-0.4299
91	A	H	0.0000
92	V	H	0.8941
93	Y	H	0.0000
94	Y	H	0.0000
95	C	H	0.0000
96	A	H	0.0000
97	R	H	0.0061
98	S	H	0.0000
99	T	H	0.9636
100	Y	H	2.0691
101	Y	H	1.7545
102	Y	H	1.6218
103	G	H	0.3317
104	A	H	-0.0173
105	S	H	0.0448
106	G	H	0.1844
107	Y	H	1.5493
108	D	H	1.2265
109	Y	H	1.4795
110	Y	H	0.7297
111	F	H	0.0000
112	S	H	-0.2097
113	P	H	-0.4865
114	W	H	-0.3698
115	G	H	0.0000
116	P	H	-0.3526
117	G	H	0.1878
118	T	H	0.7485
119	L	H	1.7363
120	V	H	0.0000
121	T	H	0.3735
122	V	H	0.0000
123	S	H	-0.6648
124	S	H	-0.5992
125	D	L	-2.0085
126	I	L	0.0000
127	Q	L	-2.1914
128	M	L	0.0000
129	T	L	-1.2806
130	Q	L	0.0000
131	S	L	-0.7307
132	P	L	-0.5971
133	S	L	-0.9601
134	S	L	-1.1304
135	L	L	-0.6503
136	S	L	-0.7030
137	A	L	0.0000
138	S	L	-0.1482
139	V	L	0.7174
140	G	L	-0.7083
141	D	L	-1.6690
142	R	L	-2.3430
143	V	L	0.0000
144	T	L	-0.6349
145	I	L	0.0000
146	T	L	-0.9700
147	C	L	0.0000
148	R	L	-3.0417
149	A	L	0.0000
150	S	L	-2.2538
151	Q	L	-2.8562
152	H	L	-2.5738
153	I	L	0.0000
154	R	L	-2.6057
155	S	L	-1.4913
156	S	L	-0.4202
157	L	L	0.0000
158	A	L	0.0000
159	W	L	0.0000
160	Y	L	0.0000
161	Q	L	-1.0686
162	Q	L	-1.6989
163	K	L	-2.2407
164	P	L	-1.4935
165	G	L	-1.6712
166	K	L	-2.5856
167	A	L	-1.5801
168	P	L	0.0000
169	K	L	-2.0376
170	L	L	-0.8143
171	L	L	0.0000
172	I	L	0.0000
173	Y	L	-0.2509
174	G	L	-0.8718
175	A	L	0.0000
176	S	L	-0.8030
177	S	L	-0.8477
178	R	L	-1.6643
179	A	L	-0.8879
180	T	L	-0.5860
181	G	L	-0.9197
182	I	L	0.0000
183	P	L	-1.3875
184	D	L	-2.3085
185	R	L	-1.6208
186	F	L	0.0000
187	S	L	-1.0308
188	G	L	-0.5989
189	S	L	-0.8376
190	G	L	-1.4411
191	S	L	-1.8379
192	G	L	-2.4356
193	T	L	-2.6661
194	D	L	-3.1599
195	F	L	0.0000
196	T	L	-0.9089
197	L	L	0.0000
198	T	L	-0.6143
199	I	L	0.0000
200	S	L	-1.6836
201	S	L	-1.2906
202	L	L	0.0000
203	Q	L	-0.7795
204	P	L	-0.6490
205	E	L	-1.8867
206	D	L	0.0000
207	F	L	-0.5784
208	A	L	0.0000
209	T	L	-1.2819
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	1.2239
216	Y	L	1.5298
217	I	L	2.0402
218	T	L	0.8537
219	P	L	-0.0319
220	Y	L	0.0000
221	T	L	-0.4743
222	F	L	-0.4872
223	G	L	0.0000
224	Q	L	-1.5932
225	G	L	0.0000
226	T	L	0.0000
227	K	L	-2.1476
228	V	L	0.0000
229	E	L	-0.9077
230	I	L	0.9388
231	K	L	-0.7862