Project name: 1d36f0bbc0a274b

Chain sequence(s)	I: VQLKESGPGLVQPSQTLSLTCTVSGLSLTNNIVSWIRQPPGKGLEWMGVIWSNGGTDYNSAIKSRLSITRDTSKSQVFLKMNSLQTEDTAMYFCASRDYPGFAYWGQGTLVTVSSAKTTPPSVYPLAPSMVTLGCLVKGYFPEPVTVTWNSGSLSSGVHTFPAVLQSDLYTLSSSVTVPSSTWPSETVTCNVAHPASSTKVDKKIVP; M: ELIQPPSSSVTLGSTVSLTCVGDELPKRYAYWYQQKPDQSIVRVIYEDSKRPSGISDRFSGSSSGTTATLTIRDAQAEDEADYYCLSTYSDDKLPIFGGGTKLTVLGQPKSSPSVTLFPPSSEELETNKATLVCTITDFYPGVVTVDWKVDGTPVTQGMETTQPSKQSNNKYMASSYLTLTARAWERHSSYSCQVTHEGHTVEKSLSR
Selected Chain(s)	I,M
Distance of aggregation	10 Å
FoldX usage	Yes
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]       FoldX:    Starting FoldX energy minimalization                                        (00:00:00)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:02:41)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:44)

• Minimal score value: -3.6615
• Maximal score value: 1.3719
• Average score: -0.708
• Total score value: -293.8267

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
2	V	I	1.3509
3	Q	I	-0.3946
4	L	I	0.0000
5	K	I	-2.1420
6	E	I	0.0000
7	S	I	-0.7548
8	G	I	-0.4614
9	P	I	-0.3416
11	G	I	-0.2386
12	L	I	-0.4249
13	V	I	0.0000
14	Q	I	-1.7026
15	P	I	-1.5327
16	S	I	-1.5910
17	Q	I	-1.9914
18	T	I	-1.6028
19	L	I	0.0000
20	S	I	-0.8710
21	L	I	0.0000
22	T	I	-0.5723
23	C	I	0.0000
24	T	I	-1.1216
25	V	I	0.0000
26	S	I	-0.2455
27	G	I	0.1141
28	L	I	-0.1803
29	S	I	-0.7003
30	L	I	0.0000
35	T	I	-1.1628
36	N	I	-1.6752
37	N	I	0.0000
38	I	I	0.0000
39	V	I	0.0000
40	S	I	0.0000
41	W	I	0.0000
42	I	I	0.0000
43	R	I	0.0000
44	Q	I	0.0000
45	P	I	-1.2250
46	P	I	-1.2259
47	G	I	-1.4497
48	K	I	-2.2077
49	G	I	-1.3400
50	L	I	0.0000
51	E	I	-0.6727
52	W	I	0.0000
53	M	I	0.0000
54	G	I	0.0000
55	V	I	0.0000
56	I	I	0.0000
57	W	I	-0.6538
58	S	I	-1.2749
59	N	I	-1.6769
63	G	I	-1.0860
64	G	I	-0.8341
65	T	I	-0.6236
66	D	I	-1.1376
67	Y	I	-0.8996
68	N	I	-0.8935
69	S	I	-0.9699
70	A	I	-0.6778
71	I	I	0.0000
72	K	I	-2.0855
74	S	I	-1.4192
75	R	I	-1.5540
76	L	I	0.0000
77	S	I	-1.0547
78	I	I	0.0000
79	T	I	-0.4728
80	R	I	-0.8159
81	D	I	-1.1936
82	T	I	-1.2052
83	S	I	-1.2867
84	K	I	-2.0595
85	S	I	-1.3085
86	Q	I	-1.1229
87	V	I	0.0000
88	F	I	-0.1797
89	L	I	0.0000
90	K	I	-1.4129
91	M	I	0.0000
92	N	I	-2.1166
93	S	I	-1.6055
94	L	I	0.0000
95	Q	I	-2.2818
96	T	I	-1.6923
97	E	I	-2.2822
98	D	I	0.0000
99	T	I	-0.8236
100	A	I	0.0000
101	M	I	-0.0001
102	Y	I	0.0000
103	F	I	0.0000
104	C	I	0.0000
105	A	I	0.0000
106	S	I	0.0000
107	R	I	-1.6396
108	D	I	-1.8661
109	Y	I	-0.7417
113	P	I	0.0000
114	G	I	0.0000
115	F	I	0.0000
116	A	I	-0.3932
117	Y	I	0.2216
118	W	I	-0.1091
119	G	I	0.0000
120	Q	I	-1.8055
121	G	I	0.0000
122	T	I	-0.5107
123	L	I	-0.0476
124	V	I	0.0000
125	T	I	-0.3915
126	V	I	0.0000
127	S	I	-1.2859
128	S	I	-1.0844
129	A	I	-1.4176
130	K	I	-2.0460
131	T	I	-1.0807
132	T	I	-0.6981
133	P	I	-0.6228
134	P	I	-0.2627
135	S	I	-0.2732
136	V	I	0.0000
137	Y	I	-0.5925
138	P	I	0.0000
139	L	I	0.0000
140	A	I	0.1680
141	P	I	-0.0765
142	S	I	0.2276
143	M	I	0.9152
144	V	I	0.5050
145	T	I	0.2953
146	L	I	0.0000
147	G	I	0.0000
148	C	I	0.0000
149	L	I	0.0000
150	V	I	0.0000
151	K	I	-0.1687
152	G	I	-0.1162
153	Y	I	0.0000
154	F	I	0.0000
155	P	I	0.0000
156	E	I	-0.2625
157	P	I	-0.2516
158	V	I	-0.1738
159	T	I	-0.1895
160	V	I	-0.2041
161	T	I	-0.3838
162	W	I	0.0000
163	N	I	-0.9966
164	S	I	-0.7883
165	G	I	-0.6352
166	S	I	-0.5223
167	L	I	-0.2110
168	S	I	-0.3158
169	S	I	-0.1948
170	G	I	-0.0225
171	V	I	0.2736
172	H	I	-0.0814
173	T	I	0.0011
174	F	I	0.0000
175	P	I	-0.3150
176	A	I	0.2067
177	V	I	0.0000
178	L	I	0.9298
179	Q	I	-0.2069
180	S	I	-0.6808
181	D	I	-1.6127
182	L	I	-0.3386
183	Y	I	0.3959
184	T	I	0.0000
185	L	I	0.0000
186	S	I	0.0000
187	S	I	0.0000
188	S	I	0.0000
189	V	I	0.0000
190	T	I	0.2722
191	V	I	0.0000
192	P	I	0.1541
193	S	I	-0.1682
194	S	I	-0.5068
195	T	I	-0.7916
196	W	I	-0.5660
197	P	I	-0.6308
198	S	I	-1.1020
199	E	I	-2.0506
200	T	I	-1.2135
201	V	I	0.0000
202	T	I	-1.4577
203	C	I	0.0000
204	N	I	-1.4839
205	V	I	0.0000
206	A	I	-0.9324
207	H	I	0.0000
208	P	I	-0.7126
209	A	I	-0.3322
210	S	I	-0.5165
211	S	I	-0.7497
212	T	I	-0.9452
213	K	I	-1.9967
214	V	I	-1.5872
215	D	I	-2.6103
216	K	I	-1.7678
217	K	I	-1.8057
218	I	I	0.0000
219	V	I	0.7987
220	P	I	0.3565
3	E	M	-1.6534
4	L	M	0.0000
5	I	M	1.2649
6	Q	M	0.4883
7	P	M	-0.2237
8	P	M	-0.8145
9	S	M	-1.1982
11	S	M	-0.7896
12	S	M	-0.3968
13	V	M	0.0000
14	T	M	-0.1649
15	L	M	-0.3424
16	G	M	-1.4612
17	S	M	-1.3493
18	T	M	-1.4420
19	V	M	-0.6422
20	S	M	-0.3987
21	L	M	0.0000
22	T	M	0.2255
23	C	M	0.0000
24	V	M	0.1479
25	G	M	0.0000
26	D	M	-2.5818
27	E	M	-2.4157
28	L	M	0.0000
29	P	M	-1.8446
36	K	M	-2.3286
37	R	M	-1.7423
38	Y	M	-0.6152
39	A	M	0.0000
40	Y	M	0.0000
41	W	M	0.0000
42	Y	M	0.0000
43	Q	M	0.0000
44	Q	M	0.0000
45	K	M	-1.7388
46	P	M	-1.6297
47	D	M	-2.3850
48	Q	M	-1.6220
49	S	M	-1.1076
50	I	M	-0.1975
51	V	M	0.5490
52	R	M	0.1874
53	V	M	0.0000
54	I	M	0.0000
55	Y	M	-1.5876
56	E	M	-2.0951
57	D	M	-1.5730
65	S	M	-1.7423
66	K	M	-2.5667
67	R	M	-1.9827
68	P	M	-1.0090
69	S	M	-0.8787
70	G	M	-0.7640
71	I	M	-0.6158
72	S	M	-1.3611
74	D	M	-2.3936
75	R	M	-2.4150
76	F	M	0.0000
77	S	M	-1.4008
78	G	M	0.0000
79	S	M	-0.9456
80	S	M	-0.6434
83	S	M	-0.6086
84	G	M	-1.2303
85	T	M	-1.2243
86	T	M	-0.3058
87	A	M	0.0000
88	T	M	-0.2674
89	L	M	0.0000
90	T	M	-0.6500
91	I	M	0.0000
92	R	M	-3.2424
93	D	M	-2.9552
94	A	M	0.0000
95	Q	M	-1.6937
96	A	M	-1.2596
97	E	M	-2.1711
98	D	M	0.0000
99	E	M	-1.3893
100	A	M	0.0000
101	D	M	-1.3595
102	Y	M	0.0000
103	Y	M	0.0000
104	C	M	0.0000
105	L	M	0.0000
106	S	M	0.0000
107	T	M	0.0000
108	Y	M	-1.8949
109	S	M	-2.1309
110	D	M	-3.2037
113	D	M	-3.5485
114	K	M	-3.0962
115	L	M	0.0000
116	P	M	0.0000
117	I	M	-0.2112
118	F	M	0.0896
119	G	M	0.0000
120	G	M	-0.7982
121	G	M	0.0000
122	T	M	0.0000
123	K	M	-2.1881
124	L	M	0.0000
125	T	M	-0.7457
126	V	M	0.0000
127	L	M	0.1472
128	G	M	-0.4919
129	Q	M	-0.8109
130	P	M	-1.3208
131	K	M	-2.3366
132	S	M	-1.4506
133	S	M	-1.1374
134	P	M	0.0000
135	S	M	-0.6600
136	V	M	0.0000
137	T	M	-0.5345
138	L	M	-0.3927
139	F	M	0.0000
140	P	M	-0.3943
141	P	M	-0.4249
142	S	M	-0.6256
143	S	M	-0.9591
144	E	M	-1.6070
145	E	M	0.0000
146	L	M	-1.8265
147	E	M	-2.5559
148	T	M	-1.8428
149	N	M	-2.5932
150	K	M	-1.9659
151	A	M	0.0000
152	T	M	0.0000
153	L	M	0.0000
154	V	M	0.0000
155	C	M	0.0000
156	T	M	0.0000
157	I	M	0.0000
158	T	M	-0.4930
159	D	M	-1.2567
160	F	M	0.0000
161	Y	M	0.0000
162	P	M	-0.4542
163	G	M	0.1570
164	V	M	1.3719
165	V	M	0.5538
166	T	M	-0.2549
167	V	M	0.0000
168	D	M	-2.2675
169	W	M	0.0000
170	K	M	-1.9068
171	V	M	0.0000
172	D	M	-1.9959
173	G	M	-1.4322
174	T	M	-1.0068
175	P	M	-1.2372
176	V	M	-0.9131
177	T	M	-0.8512
178	Q	M	-1.3112
179	G	M	-0.8803
180	M	M	-0.9202
181	E	M	-1.4018
182	T	M	-1.0581
183	T	M	0.0000
184	Q	M	-1.0877
185	P	M	-0.3268
186	S	M	-0.5034
187	K	M	-0.9389
188	Q	M	0.0000
189	S	M	-1.1187
190	N	M	-1.9682
191	N	M	-1.7041
192	K	M	-1.5381
193	Y	M	-0.5162
194	M	M	0.0000
195	A	M	0.0000
196	S	M	0.0000
197	S	M	0.0000
198	Y	M	0.0000
199	L	M	0.0000
200	T	M	-0.4205
201	L	M	-0.7994
202	T	M	-1.4317
203	A	M	-2.5687
204	R	M	-3.2137
205	A	M	-2.3444
206	W	M	0.0000
207	E	M	-3.6615
208	R	M	-3.4145
209	H	M	-2.6272
210	S	M	-1.9989
211	S	M	-1.3858
212	Y	M	0.0000
213	S	M	-1.7065
214	C	M	0.0000
215	Q	M	-2.0181
216	V	M	0.0000
217	T	M	-1.0177
218	H	M	0.0000
219	E	M	-2.0966
220	G	M	-1.6430
221	H	M	-1.3160
222	T	M	-1.2219
223	V	M	-0.9851
224	E	M	-2.3550
225	K	M	-1.8524
226	S	M	-1.2128
227	L	M	-0.6827
228	S	M	-1.3234
229	R	M	-2.3153