Project name: MEDI1912_full

Chain sequence(s)	H: QVQLVQSGAEVKKPGSSVKVSCKASGGTFWFGAISWVRQAPGQGLEWMGGIIPIFGLTNLAQSFQGRVTITADESTSTVYMELSSLRSEDTAVYYCARSSRIYDLNPSLTAYYDMDVWGQGTMVTVSS; L: QSVLTQPPSVSAAPGQKVTISCSGSSSNIGNNYVSWYQQLPGTAPKLLIYDNNKRPSGIPDRFSGSKSGTSATLGITGLQTGDEADYYCGTWDSSLSAWVFGGGTKLTVL
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: -3.1477
• Maximal score value: 2.7548
• Average score: -0.4806
• Total score value: -114.394

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	-1.4888
1	V	H	-1.1272
2	Q	H	-1.3233
3	L	H	0.0000
4	V	H	0.6054
5	Q	H	0.0000
6	S	H	-0.5417
7	G	H	-0.3750
8	A	H	0.0624
9	E	H	-0.1038
10	V	H	0.8646
11	K	H	-1.0627
12	K	H	-2.2757
13	P	H	-2.2459
14	G	H	-1.6854
15	S	H	-1.3392
16	S	H	-1.2666
17	V	H	0.0000
18	K	H	-2.0972
19	V	H	0.0000
20	S	H	-0.6174
21	C	H	0.0000
22	K	H	-1.3682
23	A	H	-0.9852
24	S	H	-1.0352
25	G	H	-1.2025
26	G	H	-0.7315
27	T	H	0.1635
28	F	H	0.0000
29	W	H	1.6306
30	F	H	2.3538
31	G	H	0.6755
32	A	H	0.0000
33	I	H	0.0000
34	S	H	0.0000
35	W	H	0.0000
36	V	H	0.0000
37	R	H	-0.5776
38	Q	H	-0.8086
39	A	H	-1.0631
40	P	H	-0.8605
41	G	H	-1.2426
42	Q	H	-1.8418
43	G	H	-1.4022
44	L	H	0.0000
45	E	H	-1.1888
46	W	H	0.0000
47	M	H	0.0000
48	G	H	0.0000
49	G	H	0.0000
50	I	H	0.0000
51	I	H	1.7432
52	P	H	0.0000
53	I	H	2.0431
54	F	H	2.7548
55	G	H	1.2813
56	L	H	1.9974
57	T	H	0.7311
58	N	H	-0.2205
59	L	H	-0.7347
60	A	H	0.0000
61	Q	H	-1.6040
62	S	H	-1.2232
63	F	H	0.0000
64	Q	H	-2.0075
65	G	H	-1.4137
66	R	H	-1.1750
67	V	H	0.0000
68	T	H	-0.8558
69	I	H	0.0000
70	T	H	-0.1016
71	A	H	-0.6272
72	D	H	-1.3519
73	E	H	-1.1491
74	S	H	-0.8845
75	T	H	-0.9417
76	S	H	-1.1212
77	T	H	0.0000
78	V	H	0.0000
79	Y	H	-0.6177
80	M	H	0.0000
81	E	H	-1.5771
82	L	H	0.0000
83	S	H	-1.1884
84	S	H	-1.2219
85	L	H	0.0000
86	R	H	-3.1477
87	S	H	-2.4613
88	E	H	-2.5749
89	D	H	0.0000
90	T	H	-0.8516
91	A	H	0.0000
92	V	H	0.2874
93	Y	H	0.0000
94	Y	H	0.0000
95	C	H	0.0000
96	A	H	0.0000
97	R	H	-0.8519
98	S	H	0.0000
99	S	H	-0.4747
100	R	H	-0.8746
101	I	H	0.4238
102	Y	H	-0.0565
103	D	H	-0.4969
104	L	H	0.7548
105	N	H	-0.6295
106	P	H	-0.4011
107	S	H	0.1498
108	L	H	1.0243
109	T	H	0.2925
110	A	H	0.2132
111	Y	H	0.1991
112	Y	H	-0.2861
113	D	H	-0.3219
114	M	H	0.0000
115	D	H	-1.1041
116	V	H	-0.6641
117	W	H	-0.4451
118	G	H	0.0000
119	Q	H	-0.8906
120	G	H	-0.2679
121	T	H	0.0000
122	M	H	0.5171
123	V	H	0.0000
124	T	H	-0.2478
125	V	H	0.0000
126	S	H	-1.2444
127	S	H	-0.8112
128	Q	L	-0.8817
129	S	L	-0.0221
130	V	L	0.9583
131	L	L	0.0000
132	T	L	0.0245
133	Q	L	-0.3240
134	P	L	-0.6520
135	P	L	-0.9752
136	S	L	-1.0012
137	V	L	-0.3752
138	S	L	-0.2815
139	A	L	-0.4520
140	A	L	-0.4882
141	P	L	-1.1695
142	G	L	-1.9253
143	Q	L	-2.5481
144	K	L	-2.5579
145	V	L	0.0000
146	T	L	-0.4755
147	I	L	0.0000
148	S	L	-0.3859
149	C	L	0.0000
150	S	L	-0.3202
151	G	L	-0.1624
152	S	L	-0.4445
153	S	L	-0.9046
154	S	L	-0.5936
155	N	L	0.0000
156	I	L	0.0000
157	G	L	-1.0812
158	N	L	-1.3452
159	N	L	-0.3732
160	Y	L	0.5530
161	V	L	0.0000
162	S	L	0.0000
163	W	L	0.0000
164	Y	L	0.0000
165	Q	L	-0.8129
166	Q	L	-0.8582
167	L	L	-0.1945
168	P	L	-0.4019
169	G	L	-0.4313
170	T	L	-0.5645
171	A	L	-0.5842
172	P	L	0.0000
173	K	L	-1.4332
174	L	L	0.0000
175	L	L	0.0000
176	I	L	0.0000
177	Y	L	-0.8477
178	D	L	-0.8441
179	N	L	-1.1858
180	N	L	-2.2425
181	K	L	-2.4098
182	R	L	-2.2619
183	P	L	-1.0661
184	S	L	-0.7890
185	G	L	-0.8859
186	I	L	-1.0465
187	P	L	-1.3706
188	D	L	-2.2123
189	R	L	-1.4638
190	F	L	0.0000
191	S	L	-1.4159
192	G	L	-1.2840
193	S	L	-1.2334
194	K	L	-1.1037
195	S	L	-0.8652
196	G	L	-1.0576
197	T	L	-0.9175
198	S	L	-0.7167
199	A	L	0.0000
200	T	L	-0.6118
201	L	L	0.0000
202	G	L	0.0000
203	I	L	0.0000
204	T	L	-1.8379
205	G	L	-1.6938
206	L	L	0.0000
207	Q	L	-1.7660
208	T	L	-0.9830
209	G	L	-1.0629
210	D	L	0.0000
211	E	L	-1.5406
212	A	L	0.0000
213	D	L	-1.6000
214	Y	L	0.0000
215	Y	L	0.0000
216	C	L	0.0000
217	G	L	0.0000
218	T	L	0.0000
219	W	L	0.0000
220	D	L	0.0000
221	S	L	-0.1069
222	S	L	0.1620
223	L	L	0.6957
224	S	L	0.2503
225	A	L	-0.0031
226	W	L	0.0000
227	V	L	0.0000
228	F	L	0.0000
229	G	L	0.0000
230	G	L	-0.7673
231	G	L	-1.2219
232	T	L	0.0000
233	K	L	-2.2881
234	L	L	0.0000
235	T	L	-0.4153
236	V	L	0.0235
237	L	L	1.2878