Project name: MEDI578

Chain sequence(s)	H: QVQLVQSGAEVKKPGSSVKVSCKASGGTFSTYGISWVRQAPGQGLEWMGGIIPIFDTGNSAQSFQGRVTITADESTSTAYMELSSLRSEDTAVYYCARSSRIYDLNPSLTAYYDMDVWGQGTMVTVSS; 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]                                                (00:00:01)
[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                                          (00:00:02)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:03)

• Minimal score value: -3.1604
• Maximal score value: 1.6794
• Average score: -0.5692
• Total score value: -135.4633

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	-1.5079
1	V	H	-1.1368
2	Q	H	-1.3039
3	L	H	0.0000
4	V	H	0.6036
5	Q	H	0.0000
6	S	H	-0.5558
7	G	H	-0.3897
8	A	H	0.0326
9	E	H	-0.1594
10	V	H	0.8427
11	K	H	-1.0764
12	K	H	-2.2770
13	P	H	-2.2398
14	G	H	-1.6997
15	S	H	-1.3377
16	S	H	-1.4360
17	V	H	0.0000
18	K	H	-2.0792
19	V	H	0.0000
20	S	H	-0.6112
21	C	H	0.0000
22	K	H	-1.3588
23	A	H	-0.9521
24	S	H	-1.0510
25	G	H	-1.2150
26	G	H	-0.9922
27	T	H	-0.5246
28	F	H	0.0000
29	S	H	0.0807
30	T	H	0.3732
31	Y	H	0.1343
32	G	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	-0.5949
38	Q	H	-0.8180
39	A	H	-1.0538
40	P	H	-0.8201
41	G	H	-1.2368
42	Q	H	-1.8341
43	G	H	-1.3764
44	L	H	0.0000
45	E	H	-1.2421
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	0.5332
52	P	H	0.0000
53	I	H	1.4764
54	F	H	1.6794
55	D	H	-0.7647
56	T	H	-0.2688
57	G	H	-0.8683
58	N	H	-0.9964
59	S	H	-1.1395
60	A	H	0.0000
61	Q	H	-1.7563
62	S	H	-1.2703
63	F	H	0.0000
64	Q	H	-2.0969
65	G	H	-1.4296
66	R	H	-1.1386
67	V	H	-0.9939
68	T	H	-0.8180
69	I	H	-0.4711
70	T	H	-0.4891
71	A	H	-1.0043
72	D	H	-1.7426
73	E	H	-2.0206
74	S	H	-1.2402
75	T	H	-1.1729
76	S	H	-1.4732
77	T	H	0.0000
78	A	H	0.0000
79	Y	H	-0.5439
80	M	H	0.0000
81	E	H	-1.5091
82	L	H	0.0000
83	S	H	-1.1565
84	S	H	-1.1855
85	L	H	0.0000
86	R	H	-3.1604
87	S	H	-2.4592
88	E	H	-2.5663
89	D	H	0.0000
90	T	H	-0.7788
91	A	H	0.0000
92	V	H	0.2747
93	Y	H	0.0000
94	Y	H	0.0000
95	C	H	0.0000
96	A	H	0.0000
97	R	H	-0.5253
98	S	H	0.0000
99	S	H	-0.6771
100	R	H	-0.9527
101	I	H	0.2345
102	Y	H	-0.1507
103	D	H	-0.5879
104	L	H	0.7050
105	N	H	-0.6238
106	P	H	-0.3877
107	S	H	0.0303
108	L	H	0.9891
109	T	H	0.2463
110	A	H	0.0664
111	Y	H	0.1881
112	Y	H	-0.2507
113	D	H	-0.2485
114	M	H	0.0000
115	D	H	-1.0860
116	V	H	-0.6418
117	W	H	-0.4110
118	G	H	0.0000
119	Q	H	-0.8817
120	G	H	-0.2704
121	T	H	0.0000
122	M	H	0.4661
123	V	H	0.0000
124	T	H	-0.2560
125	V	H	0.0000
126	S	H	-1.2955
127	S	H	-1.0005
128	Q	L	-0.8749
129	S	L	-0.0277
130	V	L	0.9835
131	L	L	0.0000
132	T	L	0.0308
133	Q	L	-0.3219
134	P	L	-0.6522
135	P	L	-0.9760
136	S	L	-1.0015
137	V	L	-0.3772
138	S	L	-0.2830
139	A	L	-0.4537
140	A	L	-0.4880
141	P	L	-1.1686
142	G	L	-1.9248
143	Q	L	-2.5471
144	K	L	-2.5573
145	V	L	0.0000
146	T	L	-0.4758
147	I	L	0.0000
148	S	L	-0.3862
149	C	L	0.0000
150	S	L	-0.3171
151	G	L	-0.1579
152	S	L	-0.4419
153	S	L	-0.8831
154	S	L	-0.6202
155	N	L	0.0000
156	I	L	0.0000
157	G	L	-1.0766
158	N	L	-1.3356
159	N	L	-0.3598
160	Y	L	0.6281
161	V	L	0.0000
162	S	L	0.0000
163	W	L	0.0000
164	Y	L	0.0000
165	Q	L	-0.8032
166	Q	L	-0.8521
167	L	L	-0.1915
168	P	L	-0.4007
169	G	L	-0.4313
170	T	L	-0.5647
171	A	L	-0.6291
172	P	L	0.0000
173	K	L	-1.4369
174	L	L	0.0000
175	L	L	0.0000
176	I	L	0.0000
177	Y	L	-0.8063
178	D	L	-0.8180
179	N	L	-1.1774
180	N	L	-2.2731
181	K	L	-2.5008
182	R	L	-2.3009
183	P	L	-1.0888
184	S	L	-0.8030
185	G	L	-0.8892
186	I	L	-1.0526
187	P	L	-1.3739
188	D	L	-2.2143
189	R	L	-1.4657
190	F	L	0.0000
191	S	L	-1.4353
192	G	L	-1.2957
193	S	L	-1.2465
194	K	L	-1.0986
195	S	L	-0.8668
196	G	L	-1.0588
197	T	L	-0.9185
198	S	L	-0.7170
199	A	L	0.0000
200	T	L	-0.6123
201	L	L	0.0000
202	G	L	0.0000
203	I	L	0.0000
204	T	L	-1.8380
205	G	L	-1.6932
206	L	L	0.0000
207	Q	L	-1.7654
208	T	L	-0.9827
209	G	L	-1.0611
210	D	L	0.0000
211	E	L	-1.5355
212	A	L	0.0000
213	D	L	-1.5943
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	-0.1569
222	S	L	0.0862
223	L	L	0.4895
224	S	L	0.1624
225	A	L	-0.1418
226	W	L	0.0000
227	V	L	0.0000
228	F	L	0.0000
229	G	L	0.0000
230	G	L	-0.7525
231	G	L	-1.2160
232	T	L	0.0000
233	K	L	-2.2873
234	L	L	0.0000
235	T	L	-0.4149
236	V	L	0.0246
237	L	L	1.2884