Project name: AAB-PP3121

Chain sequence(s)	H: QVQLVESGGGVVQPGESLKISCAASGFTFSSYGMHWVRQAPGKGLEWVSAISGSGGTTFYADSVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCARSTYYYGASGYDYYFEPWGPGTLVTVSS; 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: 2.0944
• Average score: -0.5681
• Total score value: -131.81

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	-1.3310
1	V	H	-0.7437
2	Q	H	-0.8852
3	L	H	0.0000
4	V	H	1.3520
5	E	H	0.0000
6	S	H	-0.1149
7	G	H	-0.7652
8	G	H	0.1465
9	G	H	0.9292
10	V	H	1.5552
11	V	H	0.0000
12	Q	H	-1.7797
13	P	H	-2.0874
14	G	H	-2.0512
15	E	H	-2.2059
16	S	H	-1.6054
17	L	H	-1.0035
18	K	H	-1.9377
19	I	H	0.0000
20	S	H	-0.3116
21	C	H	0.0000
22	A	H	0.0218
23	A	H	-0.3912
24	S	H	-0.5808
25	G	H	-0.8819
26	F	H	-0.3097
27	T	H	-0.1818
28	F	H	0.0000
29	S	H	-0.8416
30	S	H	-0.1076
31	Y	H	0.2249
32	G	H	0.0324
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	-0.7230
39	A	H	-1.0395
40	P	H	-0.9821
41	G	H	-1.5058
42	K	H	-2.3903
43	G	H	-1.6334
44	L	H	0.0000
45	E	H	-1.2556
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	-0.2688
52	G	H	-0.5074
53	S	H	-0.7145
54	G	H	-0.8100
55	G	H	-0.7091
56	T	H	-0.1627
57	T	H	0.4215
58	F	H	0.9133
59	Y	H	-0.2051
60	A	H	-1.1165
61	D	H	-2.3047
62	S	H	-1.7165
63	V	H	0.0000
64	K	H	-2.3855
65	G	H	-1.7008
66	R	H	-1.2589
67	F	H	0.0000
68	T	H	-0.6427
69	I	H	0.0000
70	S	H	-0.4576
71	R	H	-1.0928
72	D	H	-1.6519
73	N	H	-1.8089
74	S	H	-1.6345
75	K	H	-2.4388
76	N	H	-1.8626
77	T	H	-1.0000
78	L	H	0.0000
79	Y	H	-0.4585
80	L	H	0.0000
81	Q	H	-1.1285
82	M	H	0.0000
83	N	H	-1.7217
84	S	H	-1.6493
85	L	H	0.0000
86	R	H	-2.7626
87	A	H	-1.9110
88	E	H	-2.3297
89	D	H	0.0000
90	T	H	-0.4277
91	A	H	0.0000
92	V	H	0.8932
93	Y	H	0.0000
94	Y	H	0.0000
95	C	H	0.0000
96	A	H	0.0000
97	R	H	-0.3095
98	S	H	0.0000
99	T	H	0.8284
100	Y	H	2.0477
101	Y	H	1.7650
102	Y	H	1.5766
103	G	H	0.2750
104	A	H	-0.0289
105	S	H	0.0226
106	G	H	0.3150
107	Y	H	1.6286
108	D	H	1.2692
109	Y	H	1.5940
110	Y	H	0.6068
111	F	H	0.0000
112	E	H	-0.8118
113	P	H	-0.8252
114	W	H	0.0000
115	G	H	0.0000
116	P	H	-0.3978
117	G	H	0.1745
118	T	H	0.7525
119	L	H	1.7373
120	V	H	0.0000
121	T	H	0.3746
122	V	H	0.0000
123	S	H	-0.6568
124	S	H	-0.5924
125	D	L	-2.0058
126	I	L	0.0000
127	Q	L	-2.1912
128	M	L	0.0000
129	T	L	-1.2841
130	Q	L	0.0000
131	S	L	-0.7328
132	P	L	-0.5979
133	S	L	-0.9651
134	S	L	-1.1332
135	L	L	-0.6520
136	S	L	-0.7043
137	A	L	0.0000
138	S	L	-0.1486
139	V	L	0.7172
140	G	L	-0.7084
141	D	L	-1.6688
142	R	L	-2.3426
143	V	L	0.0000
144	T	L	-0.6345
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	-2.2542
151	Q	L	-2.8557
152	H	L	-2.5731
153	I	L	0.0000
154	R	L	-2.6053
155	S	L	-1.5045
156	S	L	-0.4147
157	L	L	0.0000
158	A	L	0.0000
159	W	L	0.0000
160	Y	L	0.0000
161	Q	L	-1.0266
162	Q	L	-1.6565
163	K	L	-2.2092
164	P	L	-1.4918
165	G	L	-1.6706
166	K	L	-2.5638
167	A	L	-1.5654
168	P	L	0.0000
169	K	L	-2.0067
170	L	L	0.0000
171	L	L	0.0000
172	I	L	0.0000
173	Y	L	-0.2526
174	G	L	-0.8978
175	A	L	0.0000
176	S	L	-0.8094
177	S	L	-0.8492
178	R	L	-1.6883
179	A	L	-0.9734
180	T	L	-0.6028
181	G	L	-0.9187
182	I	L	0.0000
183	P	L	-1.3872
184	D	L	-2.3074
185	R	L	-1.6191
186	F	L	0.0000
187	S	L	-1.0264
188	G	L	-0.6035
189	S	L	-0.8346
190	G	L	-1.4409
191	S	L	-1.8376
192	G	L	-2.4349
193	T	L	-2.6652
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	-1.6826
201	S	L	-1.2898
202	L	L	0.0000
203	Q	L	-0.7796
204	P	L	-0.6497
205	E	L	-1.8874
206	D	L	0.0000
207	F	L	-0.5804
208	A	L	0.0000
209	T	L	-1.2871
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	1.2617
216	Y	L	1.5474
217	I	L	2.0944
218	T	L	0.8403
219	P	L	0.0262
220	Y	L	0.0000
221	T	L	-0.4686
222	F	L	-0.4887
223	G	L	0.0000
224	Q	L	-1.6086
225	G	L	0.0000
226	T	L	0.0000
227	K	L	-2.1581
228	V	L	0.0000
229	E	L	-0.9103
230	I	L	0.9383
231	K	L	-0.7858