Project name: 5WK2

Chain sequence(s)	H: EVQLVQSGAEVKKPGESLKISCKGSGYSFTSYWIGWVRQMPGKGLEWMGIIDPSDSDTRYSPSFQGQVTISADKSISTAYLQWSSLKASDTAMYYCARVGPADVWDSFDYWGQGTLVTVSSSASTKGPSVFPLAPSGTAALGCCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKS; L: DIVMTQSPDSLAVSLGERATINCKSSQSVLLSPWNSSNQLAWYQQKPGQPPKLLIYGASTRESGVPDRFSGSGSGTDFTLTISSLQAEDVAVYYCQQYYLIPPSSTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACCEVTHQGLSSPVTKSFNRGE
Selected Chain(s)	H,L
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                                          (00:03:44)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:47)

• Minimal score value: -3.6878
• Maximal score value: 1.0649
• Average score: -0.6673
• Total score value: -290.9405

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
1	D	L	-1.3921
2	I	L	0.0000
3	V	L	0.8398
4	M	L	0.0000
5	T	L	-0.5948
6	Q	L	0.0000
7	S	L	-1.2528
8	P	L	-1.2613
9	D	L	-2.3354
10	S	L	-1.3596
11	L	L	-0.7306
12	A	L	-0.5762
13	V	L	0.0000
14	S	L	-1.3544
15	L	L	-0.3827
16	G	L	-1.2957
17	E	L	-2.8715
18	R	L	-2.8102
19	A	L	0.0000
20	T	L	-0.5740
21	I	L	0.0000
22	N	L	-1.0485
23	C	L	0.0000
24	K	L	-1.6674
25	S	L	0.0000
26	S	L	-0.8751
27	Q	L	-1.4870
28	S	L	-0.8757
29	V	L	0.0000
30	L	L	0.0375
31	L	L	0.2818
32	S	L	-0.2763
33	P	L	-0.1822
34	W	L	0.3706
35	N	L	-0.8289
36	S	L	-0.2891
37	N	L	-0.1462
38	Q	L	0.0000
39	L	L	0.0000
40	A	L	0.0000
41	W	L	0.0000
42	Y	L	0.0000
43	Q	L	0.0000
44	Q	L	0.0000
45	K	L	-1.7768
46	P	L	-1.3700
47	G	L	-1.4743
48	Q	L	-2.1373
49	P	L	-1.4401
50	P	L	0.0000
51	K	L	-1.5929
52	L	L	0.0000
53	L	L	0.0000
54	I	L	0.0000
55	Y	L	0.0179
56	G	L	-0.3082
57	A	L	0.0000
58	S	L	-0.6211
59	T	L	-0.6021
60	R	L	-1.4847
61	E	L	-1.1973
62	S	L	-0.8768
63	G	L	-1.0566
64	V	L	0.0000
65	P	L	-1.4040
66	D	L	-2.2047
67	R	L	-1.5002
68	F	L	0.0000
69	S	L	-0.8877
70	G	L	-0.5176
71	S	L	-0.7358
72	G	L	-1.1013
73	S	L	-1.0423
74	G	L	-0.9937
75	T	L	-1.4202
76	D	L	-1.9142
77	F	L	0.0000
78	T	L	-0.7623
79	L	L	0.0000
80	T	L	-0.6085
81	I	L	0.0000
82	S	L	-1.7339
83	S	L	-1.7377
84	L	L	0.0000
85	Q	L	-1.1686
86	A	L	-0.7054
87	E	L	-1.8902
88	D	L	0.0000
89	V	L	-0.4196
90	A	L	0.0000
91	V	L	0.0000
92	Y	L	0.0000
93	Y	L	0.0000
94	C	L	0.0000
95	Q	L	0.0000
96	Q	L	0.0000
97	Y	L	0.0000
98	Y	L	0.9240
99	L	L	0.8680
100	I	L	0.5530
101	P	L	0.0733
102	S	L	0.0000
103	T	L	0.2033
104	F	L	0.1116
105	G	L	0.0000
106	Q	L	-1.4073
107	G	L	0.0000
108	T	L	0.0000
109	K	L	-1.6336
110	V	L	0.0000
111	E	L	0.0000
112	I	L	-0.5020
113	K	L	-1.6514
114	R	L	-0.9583
115	T	L	0.1011
116	V	L	1.0649
117	A	L	0.4588
118	A	L	0.0545
119	P	L	0.0000
120	S	L	-0.0789
121	V	L	0.0386
122	F	L	0.1064
123	I	L	0.0000
124	F	L	0.0000
125	P	L	-0.5386
126	P	L	0.0000
127	S	L	-1.9008
128	D	L	-3.0273
129	E	L	-3.1374
130	Q	L	0.0000
131	L	L	-2.3694
132	K	L	-2.8911
133	S	L	-1.7823
134	G	L	-1.4185
135	T	L	-1.0821
136	A	L	0.0000
137	S	L	0.0000
138	V	L	0.0000
139	V	L	0.0000
140	C	L	0.0000
141	L	L	0.0000
142	L	L	0.0000
143	N	L	0.0000
144	N	L	-0.7666
145	F	L	0.0000
146	Y	L	0.0000
147	P	L	-1.1732
148	R	L	-2.0418
149	E	L	-2.7840
150	A	L	-2.1034
151	K	L	-2.2328
152	V	L	-1.1445
153	Q	L	-0.6321
154	W	L	0.0000
155	K	L	-0.4857
156	V	L	0.0000
157	D	L	-1.7304
158	N	L	-1.3022
159	A	L	-0.2228
160	L	L	0.7449
161	Q	L	-0.1312
162	S	L	-0.4120
163	G	L	-0.9675
164	N	L	-0.9505
165	S	L	-1.2157
166	Q	L	-1.4900
167	E	L	-1.9428
168	S	L	-0.9573
169	V	L	-0.4996
170	T	L	-0.9646
171	E	L	-2.0825
172	Q	L	-1.6664
173	D	L	-1.8511
174	S	L	-1.6833
175	K	L	-2.2671
176	D	L	-1.6766
177	S	L	-1.7045
178	T	L	0.0000
179	Y	L	0.0000
180	S	L	0.0000
181	L	L	0.0000
182	S	L	0.0000
183	S	L	0.0000
184	T	L	-0.7104
185	L	L	0.0000
186	T	L	-0.4953
187	L	L	-0.7764
188	S	L	-1.1903
189	K	L	-2.2024
190	A	L	-2.0594
191	D	L	-2.9576
192	Y	L	0.0000
193	E	L	-3.5751
194	K	L	-3.6878
195	H	L	-2.8213
196	K	L	-2.4387
197	V	L	-0.8079
198	Y	L	0.0000
199	A	L	-0.6766
200	C	L	0.0000
201	E	L	-0.9219
202	V	L	0.0000
203	T	L	-1.2810
204	H	L	0.0000
205	Q	L	-1.3802
206	G	L	-0.2475
207	L	L	-0.1633
208	S	L	-0.4577
209	S	L	-0.4637
210	P	L	-0.6584
211	V	L	-0.0833
212	T	L	-0.5109
213	K	L	-0.7006
214	S	L	-0.4642
215	F	L	-0.6975
216	N	L	-1.4735
217	R	L	-2.1149
218	G	L	-1.9481
219	E	L	-2.3746
1	E	H	-2.1748
2	V	H	-1.2578
3	Q	H	-1.5092
4	L	H	0.0000
5	V	H	0.3480
6	Q	H	0.0000
7	S	H	-0.4570
8	G	H	-0.3118
9	A	H	0.1177
10	E	H	-0.0698
11	V	H	0.7839
12	K	H	-0.7783
13	K	H	-1.8034
14	P	H	-1.9923
15	G	H	-1.9102
16	E	H	-2.0879
17	S	H	-1.7415
18	L	H	0.0000
19	K	H	-2.0024
20	I	H	0.0000
21	S	H	-0.5226
22	C	H	0.0000
23	K	H	-0.6219
24	G	H	0.0000
25	S	H	-0.7508
26	G	H	-1.2873
27	Y	H	-0.5724
28	S	H	-0.3823
29	F	H	0.0000
30	T	H	-0.9579
31	S	H	-0.1845
32	Y	H	0.1030
33	W	H	0.0142
34	I	H	0.0000
35	G	H	0.0000
36	W	H	0.0000
37	V	H	0.0000
38	R	H	-0.6018
39	Q	H	-0.8177
40	M	H	-0.7502
41	P	H	-0.8961
42	G	H	-1.4091
43	K	H	-2.2581
44	G	H	-1.4661
45	L	H	0.0000
46	E	H	-1.0319
47	W	H	0.0000
48	M	H	0.0000
49	G	H	0.0000
50	I	H	0.0000
51	I	H	0.0000
52	D	H	-1.2270
53	P	H	0.0000
54	S	H	-1.7047
55	D	H	-2.5149
56	S	H	-1.8808
57	D	H	-1.4907
58	T	H	-0.9169
59	R	H	-0.8165
60	Y	H	-0.5473
61	S	H	0.0000
62	P	H	-0.9407
63	S	H	-0.8949
64	F	H	0.0000
65	Q	H	-1.8601
66	G	H	-1.5040
67	Q	H	-1.6261
68	V	H	0.0000
69	T	H	-0.8702
70	I	H	0.0000
71	S	H	-0.7671
72	A	H	-1.1672
73	D	H	-1.5378
74	K	H	-2.0783
75	S	H	-0.4434
76	I	H	0.7409
77	S	H	-0.3938
78	T	H	0.0000
79	A	H	0.0000
80	Y	H	-0.6625
81	L	H	0.0000
82	Q	H	-1.3643
83	W	H	0.0000
84	S	H	-1.1128
85	S	H	-1.5352
86	L	H	0.0000
87	K	H	-2.3477
88	A	H	-1.2321
89	S	H	-0.7620
90	D	H	0.0000
91	T	H	-0.1740
92	A	H	0.0000
93	M	H	0.2113
94	Y	H	0.0000
95	Y	H	0.0000
96	C	H	0.0000
97	A	H	0.0000
98	R	H	0.0000
99	V	H	0.0000
100	G	H	0.0000
101	P	H	-0.5532
102	A	H	-0.6766
103	D	H	-1.3899
104	V	H	0.2041
105	W	H	0.3299
106	D	H	-0.1064
107	S	H	0.0000
108	F	H	0.0000
109	D	H	-0.3258
110	Y	H	-0.1938
111	W	H	-0.2542
112	G	H	0.0000
113	Q	H	-1.1026
114	G	H	-0.5101
115	T	H	0.0000
116	L	H	0.5188
117	V	H	0.0000
118	T	H	0.0164
119	V	H	0.0000
120	S	H	-0.7009
121	S	H	-0.7858
122	A	H	-0.4417
123	S	H	-0.5126
124	T	H	-0.5821
125	K	H	-1.2145
126	G	H	-1.3310
127	P	H	0.0000
128	S	H	-0.3974
129	V	H	0.0000
130	F	H	0.0000
131	P	H	-1.3066
132	L	H	0.0000
133	A	H	-1.2740
134	P	H	0.0000
135	S	H	-0.6986
142	G	H	-0.6727
143	T	H	-0.4976
144	A	H	-0.2543
145	A	H	0.0000
146	L	H	0.0000
147	G	H	0.0000
148	C	H	0.0000
149	L	H	0.0000
150	V	H	0.0000
151	K	H	0.0000
152	D	H	-0.4616
153	Y	H	0.0000
154	F	H	0.0000
155	P	H	-0.6971
156	E	H	-1.1238
157	P	H	-1.1829
158	V	H	-0.8923
159	T	H	-0.5651
160	V	H	-0.2409
161	S	H	-0.3176
162	W	H	0.0000
163	N	H	-0.7036
164	S	H	-0.6326
165	G	H	-0.5573
166	A	H	-0.2523
167	L	H	-0.0373
168	T	H	-0.1907
169	S	H	-0.4046
170	G	H	-0.4864
171	V	H	0.1425
172	H	H	0.0000
173	T	H	0.1011
174	F	H	0.0000
175	P	H	-0.3718
176	A	H	-0.1318
177	V	H	0.1569
178	L	H	0.7354
179	Q	H	0.1076
180	S	H	-0.1275
181	S	H	-0.2669
182	G	H	-0.0736
183	L	H	-0.1475
184	Y	H	0.0000
185	S	H	0.0000
186	L	H	0.0000
187	S	H	0.0000
188	S	H	0.0000
189	V	H	0.0000
190	V	H	0.0000
191	T	H	-0.1390
192	V	H	0.0000
193	P	H	-0.6159
194	S	H	-0.5883
195	S	H	-0.6460
196	S	H	-0.6644
197	L	H	-0.8455
198	G	H	-0.9821
199	T	H	-0.6994
200	Q	H	-1.2022
201	T	H	-1.0849
202	Y	H	0.0000
203	I	H	-1.1821
204	C	H	0.0000
205	N	H	0.0000
206	V	H	0.0000
207	N	H	-1.7766
208	H	H	0.0000
209	K	H	-2.8185
210	P	H	-1.7947
211	S	H	-1.8352
212	N	H	-2.5840
213	T	H	-2.0181
214	K	H	-2.5476
215	V	H	-1.4404
216	D	H	-2.3662
217	K	H	-2.0189
218	K	H	-2.3528
219	V	H	0.0000
220	E	H	-2.8927
221	P	H	-2.0143
222	K	H	-2.4127
223	S	H	-1.3165