Project name: AAB-PP3120

Chain sequence(s)	H: QVQLVESGGGVVQPGESLKISCAASGFTFSSYGMHWVRQAPGKGLEWVSAISGSGGTTFYADSVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCARSTYYYGGSGYDYYFEPWGPGTLVTVSS; 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: -3.1596
• Maximal score value: 2.0952
• Average score: -0.5592
• Total score value: -129.7292

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	-1.3281
1	V	H	-0.7381
2	Q	H	-0.8961
3	L	H	0.0000
4	V	H	1.3390
5	E	H	0.0000
6	S	H	-0.1136
7	G	H	-0.7601
8	G	H	0.1565
9	G	H	0.9329
10	V	H	1.5559
11	V	H	0.0000
12	Q	H	-1.7834
13	P	H	-2.0883
14	G	H	-2.0557
15	E	H	-2.2202
16	S	H	-1.6102
17	L	H	-1.0027
18	K	H	-1.9330
19	I	H	0.0000
20	S	H	-0.3098
21	C	H	0.0000
22	A	H	0.0116
23	A	H	0.0000
24	S	H	-0.5873
25	G	H	-0.8811
26	F	H	-0.2987
27	T	H	-0.1710
28	F	H	0.0000
29	S	H	-0.8266
30	S	H	-0.1157
31	Y	H	0.2370
32	G	H	0.0574
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	-1.0386
40	P	H	-0.9823
41	G	H	-1.5058
42	K	H	-2.3844
43	G	H	-1.6192
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	-0.2574
52	G	H	-0.4873
53	S	H	-0.7055
54	G	H	-0.8080
55	G	H	-0.7088
56	T	H	-0.1618
57	T	H	0.4332
58	F	H	0.9167
59	Y	H	-0.2069
60	A	H	0.0000
61	D	H	-2.3038
62	S	H	-1.7098
63	V	H	0.0000
64	K	H	-2.3831
65	G	H	-1.6949
66	R	H	-1.2536
67	F	H	0.0000
68	T	H	-0.6383
69	I	H	0.0000
70	S	H	-0.4576
71	R	H	-1.0949
72	D	H	-1.6565
73	N	H	-1.8196
74	S	H	-1.6409
75	K	H	-2.4432
76	N	H	-1.8706
77	T	H	-1.0081
78	L	H	0.0000
79	Y	H	-0.4604
80	L	H	0.0000
81	Q	H	-1.1212
82	M	H	0.0000
83	N	H	-1.7186
84	S	H	-1.6508
85	L	H	0.0000
86	R	H	-2.7565
87	A	H	-1.9060
88	E	H	-2.3279
89	D	H	0.0000
90	T	H	-0.4264
91	A	H	0.0000
92	V	H	0.9030
93	Y	H	0.0000
94	Y	H	0.0000
95	C	H	0.0000
96	A	H	0.0000
97	R	H	-0.4333
98	S	H	0.0000
99	T	H	0.7864
100	Y	H	2.0107
101	Y	H	1.6820
102	Y	H	1.4142
103	G	H	-0.0856
104	G	H	-0.5181
105	S	H	-0.3043
106	G	H	0.2147
107	Y	H	1.5333
108	D	H	1.1990
109	Y	H	1.5197
110	Y	H	0.4780
111	F	H	0.0000
112	E	H	-0.8112
113	P	H	-0.8216
114	W	H	0.0000
115	G	H	0.0000
116	P	H	-0.4014
117	G	H	0.1742
118	T	H	0.7560
119	L	H	1.7407
120	V	H	0.0000
121	T	H	0.3799
122	V	H	0.0000
123	S	H	-0.6544
124	S	H	-0.5962
125	D	L	-2.0057
126	I	L	0.0000
127	Q	L	-2.1915
128	M	L	0.0000
129	T	L	-1.2804
130	Q	L	0.0000
131	S	L	-0.7306
132	P	L	-0.5978
133	S	L	-0.9619
134	S	L	-1.1327
135	L	L	-0.6517
136	S	L	-0.7041
137	A	L	0.0000
138	S	L	-0.1490
139	V	L	0.7172
140	G	L	-0.7087
141	D	L	-1.6688
142	R	L	-2.3426
143	V	L	0.0000
144	T	L	-0.6344
145	I	L	0.0000
146	T	L	-0.9693
147	C	L	0.0000
148	R	L	-3.0416
149	A	L	0.0000
150	S	L	-2.2545
151	Q	L	-2.8557
152	H	L	-2.5734
153	I	L	0.0000
154	R	L	-2.5874
155	S	L	-1.4332
156	S	L	-0.3557
157	L	L	0.0000
158	A	L	0.0000
159	W	L	0.0000
160	Y	L	0.0000
161	Q	L	-0.9651
162	Q	L	0.0000
163	K	L	-2.1519
164	P	L	-1.4648
165	G	L	-1.6541
166	K	L	-2.5346
167	A	L	-1.5166
168	P	L	0.0000
169	K	L	-1.9621
170	L	L	0.0000
171	L	L	0.0000
172	I	L	0.0000
173	Y	L	-0.2128
174	G	L	-0.7434
175	A	L	0.0000
176	S	L	-0.7619
177	S	L	-0.8023
178	R	L	-1.6737
179	A	L	-0.9722
180	T	L	-0.6049
181	G	L	-0.9204
182	I	L	0.0000
183	P	L	-1.3877
184	D	L	-2.3083
185	R	L	-1.6189
186	F	L	0.0000
187	S	L	-1.0267
188	G	L	-0.5831
189	S	L	-0.8166
190	G	L	-1.4267
191	S	L	-1.8202
192	G	L	-2.4335
193	T	L	-2.6648
194	D	L	-3.1596
195	F	L	0.0000
196	T	L	-0.9086
197	L	L	0.0000
198	T	L	-0.6134
199	I	L	0.0000
200	S	L	-1.6821
201	S	L	-1.2898
202	L	L	0.0000
203	Q	L	-0.7796
204	P	L	-0.6499
205	E	L	-1.8874
206	D	L	0.0000
207	F	L	-0.5670
208	A	L	0.0000
209	T	L	-1.2453
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	1.2201
216	Y	L	1.4982
217	I	L	2.0952
218	T	L	0.8472
219	P	L	0.0289
220	Y	L	0.0000
221	T	L	-0.4617
222	F	L	-0.4793
223	G	L	0.0000
224	Q	L	-1.5899
225	G	L	0.0000
226	T	L	0.0000
227	K	L	-2.1432
228	V	L	0.0000
229	E	L	-0.9103
230	I	L	0.9384
231	K	L	-0.7858