Project name: antibody-platform-smoke-2

Chain sequence(s)	H: EVQLVESGGGLVQPGGSLRLSCAASGFTFSSYAMSWVRQAPGKGLEWVSAISGSGGSTYYADSVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCARDRGYYFDYWGQGTLVTVSS; L: DIQMTQSPSSLSASVGDRVTITCRASQSISSYLNWYQQKPGKAPKLLIYAASSLQSGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQQSYSTPWTFGQGTKVEIK
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: -2.9953
• Maximal score value: 1.6907
• Average score: -0.5394
• Total score value: -120.8171

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	E	H	-2.1009
2	V	H	-1.2422
3	Q	H	-1.1166
4	L	H	0.0000
5	V	H	0.9196
6	E	H	0.0000
7	S	H	-0.1562
8	G	H	-0.4443
9	G	H	0.2275
11	G	H	0.7441
12	L	H	1.3739
13	V	H	-0.1031
14	Q	H	-1.4070
15	P	H	-1.7657
16	G	H	-1.5523
17	G	H	-1.0924
18	S	H	-0.9988
19	L	H	-0.7191
20	R	H	-1.5354
21	L	H	0.0000
22	S	H	-0.2440
23	C	H	0.0000
24	A	H	-0.1246
25	A	H	0.0000
26	S	H	-0.9680
27	G	H	-1.2488
28	F	H	-0.4977
29	T	H	-0.1947
30	F	H	0.0000
35	S	H	-0.7626
36	S	H	-0.1933
37	Y	H	-0.0148
38	A	H	-0.1018
39	M	H	0.0000
40	S	H	0.0000
41	W	H	0.0000
42	V	H	0.0000
43	R	H	0.0000
44	Q	H	-0.6951
45	A	H	-1.0724
46	P	H	-0.8443
47	G	H	-1.4490
48	K	H	-2.3715
49	G	H	-1.6138
50	L	H	0.0000
51	E	H	-1.1093
52	W	H	0.0000
53	V	H	0.0000
54	S	H	0.0000
55	A	H	0.0000
56	I	H	0.0000
57	S	H	-0.2613
58	G	H	-0.4913
59	S	H	-0.7075
62	G	H	-0.7595
63	G	H	-0.7306
64	S	H	-0.2368
65	T	H	0.2677
66	Y	H	0.6951
67	Y	H	-0.3088
68	A	H	0.0000
69	D	H	-2.5547
70	S	H	-1.7523
71	V	H	0.0000
72	K	H	-2.3977
74	G	H	-1.6246
75	R	H	0.0000
76	F	H	0.0000
77	T	H	-0.5435
78	I	H	0.0000
79	S	H	-0.4562
80	R	H	-1.0811
81	D	H	-1.6353
82	N	H	-1.7761
83	S	H	-1.6545
84	K	H	-2.4244
85	N	H	-1.8071
86	T	H	-0.9959
87	L	H	0.0000
88	Y	H	-0.4154
89	L	H	0.0000
90	Q	H	-0.8812
91	M	H	0.0000
92	N	H	-1.3014
93	S	H	-1.3016
94	L	H	0.0000
95	R	H	-2.6023
96	A	H	-1.8688
97	E	H	-2.3580
98	D	H	0.0000
99	T	H	-0.4161
100	A	H	0.0000
101	V	H	0.7615
102	Y	H	0.0000
103	Y	H	0.0000
104	C	H	0.0000
105	A	H	0.0000
106	R	H	0.0000
107	D	H	-0.1362
108	R	H	-0.3828
109	G	H	-0.2173
113	Y	H	1.0913
114	Y	H	0.0000
115	F	H	0.0000
116	D	H	0.0000
117	Y	H	0.0303
118	W	H	-0.2848
119	G	H	0.0000
120	Q	H	-1.3562
121	G	H	-0.2615
122	T	H	0.5860
123	L	H	1.6907
124	V	H	0.0000
125	T	H	0.2978
126	V	H	0.0000
127	S	H	-0.8431
128	S	H	-0.5834
1	D	L	-2.4376
2	I	L	0.0000
3	Q	L	-2.2766
4	M	L	0.0000
5	T	L	-1.5140
6	Q	L	0.0000
7	S	L	-0.9194
8	P	L	-0.7193
9	S	L	-1.0100
10	S	L	-1.2507
11	L	L	-0.7772
12	S	L	-0.7887
13	A	L	0.0000
14	S	L	-0.2042
15	V	L	0.5938
16	G	L	-0.7384
17	D	L	-1.6445
18	R	L	-2.2962
19	V	L	0.0000
20	T	L	-0.6173
21	I	L	0.0000
22	T	L	-0.9858
23	C	L	0.0000
24	R	L	-2.9953
25	A	L	0.0000
26	S	L	-1.9863
27	Q	L	-1.8874
28	S	L	-1.0631
29	I	L	0.0000
36	S	L	-0.2469
37	S	L	-0.0025
38	Y	L	1.1283
39	L	L	0.0000
40	N	L	0.0000
41	W	L	0.0000
42	Y	L	0.0000
43	Q	L	-1.1170
44	Q	L	0.0000
45	K	L	-2.1081
46	P	L	-1.4074
47	G	L	-1.7721
48	K	L	-2.7356
49	A	L	-1.7359
50	P	L	0.0000
51	K	L	-1.5745
52	L	L	0.0000
53	L	L	0.0000
54	I	L	0.0000
55	Y	L	0.4730
56	A	L	0.5110
57	A	L	0.0000
65	S	L	-0.1612
66	S	L	0.1074
67	L	L	0.3248
68	Q	L	-0.2219
69	S	L	-0.3708
70	G	L	-0.5618
71	V	L	0.0000
72	P	L	-0.3886
74	S	L	-0.4268
75	R	L	-0.7981
76	F	L	0.0000
77	S	L	-0.3027
78	G	L	-0.2378
79	S	L	-0.7549
80	G	L	-1.2719
83	S	L	-1.0781
84	G	L	-1.1992
85	T	L	-1.9698
86	D	L	-2.7436
87	F	L	0.0000
88	T	L	-0.8857
89	L	L	0.0000
90	T	L	-0.5981
91	I	L	0.0000
92	S	L	-1.3751
93	S	L	-1.0722
94	L	L	0.0000
95	Q	L	-0.5276
96	P	L	-0.6392
97	E	L	-1.7287
98	D	L	0.0000
99	F	L	-0.6182
100	A	L	0.0000
101	T	L	-1.3208
102	Y	L	0.0000
103	Y	L	0.0000
104	C	L	0.0000
105	Q	L	0.0000
106	Q	L	0.0000
107	S	L	0.0000
108	Y	L	1.1659
109	S	L	0.3507
114	T	L	0.1084
115	P	L	-0.6043
116	W	L	-0.0658
117	T	L	-0.6696
118	F	L	-0.4617
119	G	L	0.0000
120	Q	L	-1.7364
121	G	L	0.0000
122	T	L	0.0000
123	K	L	-2.1253
124	V	L	0.0000
125	E	L	-1.1469
126	I	L	0.5736
127	K	L	-0.8157