Project name: Y32T

Chain sequence(s)	H: EVQLVESGGGLVQPGGSLRLSCAVSGLSLTSNSVNWIRQAPGKGLEWVGLIWSNGDTDYNSAIKSRFTISRDTSKSTVYLQMNSLRAEDTAVYYCAREYYGYFDYWGQGTLVTVSS; L: DIQMTQSPSSLSASVGDRVTITCLASEGISSTLAWYQQKPGKAPKLLIYGANSLQTGVPSRFSGSGSATDYTLTISSLQPEDFATYYCQQSYKFPNTFGQGTKVEVK
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]                                                (00:00:01)
[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]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:30)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:32)

• Minimal score value: -2.5985
• Maximal score value: 1.6723
• Average score: -0.5022
• Total score value: -111.9925

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	-2.0695
2	V	H	-1.1292
3	Q	H	-1.2206
4	L	H	0.0000
5	V	H	0.8366
6	E	H	0.0000
7	S	H	-0.1966
8	G	H	-0.7044
9	G	H	0.1348
11	G	H	0.7758
12	L	H	1.4003
13	V	H	-0.0656
14	Q	H	-1.3574
15	P	H	-1.6112
16	G	H	-1.3933
17	G	H	-1.1197
18	S	H	-0.9693
19	L	H	-0.6491
20	R	H	-1.5674
21	L	H	0.0000
22	S	H	-0.2844
23	C	H	0.0000
24	A	H	-0.0751
25	V	H	0.0000
26	S	H	-0.9541
27	G	H	-1.1766
28	L	H	-0.5334
29	S	H	-0.2625
30	L	H	0.0000
35	T	H	-0.5665
36	S	H	-0.4954
37	N	H	-0.2585
38	S	H	0.0000
39	V	H	0.0000
40	N	H	0.0000
41	W	H	0.0000
42	I	H	0.0000
43	R	H	0.0000
44	Q	H	-0.6014
45	A	H	-1.0114
46	P	H	-0.8165
47	G	H	-1.4724
48	K	H	-2.3647
49	G	H	-1.6222
50	L	H	0.0000
51	E	H	-1.0302
52	W	H	0.0000
53	V	H	0.0000
54	G	H	0.0000
55	L	H	0.0000
56	I	H	0.0000
57	W	H	-0.7479
58	S	H	-0.9979
59	N	H	-1.7799
63	G	H	-1.6528
64	D	H	-2.1750
65	T	H	-1.1757
66	D	H	-0.8813
67	Y	H	-0.5448
68	N	H	0.0000
69	S	H	-0.7888
70	A	H	-0.4459
71	I	H	0.0000
72	K	H	-1.5543
74	S	H	-1.0530
75	R	H	-1.0456
76	F	H	0.0000
77	T	H	-0.7926
78	I	H	0.0000
79	S	H	-0.6175
80	R	H	-0.8354
81	D	H	-1.1142
82	T	H	-1.0327
83	S	H	-1.2242
84	K	H	-2.0168
85	S	H	-1.1711
86	T	H	-0.6569
87	V	H	0.0000
88	Y	H	-0.4864
89	L	H	0.0000
90	Q	H	-1.0474
91	M	H	0.0000
92	N	H	-1.1977
93	S	H	-1.1601
94	L	H	0.0000
95	R	H	-2.4101
96	A	H	-1.7542
97	E	H	-2.2814
98	D	H	0.0000
99	T	H	-0.3810
100	A	H	0.0000
101	V	H	0.7829
102	Y	H	0.0000
103	Y	H	0.0000
104	C	H	0.0000
105	A	H	0.0000
106	R	H	0.0666
107	E	H	0.3771
108	Y	H	0.9448
109	Y	H	1.4676
113	G	H	0.6833
114	Y	H	0.0000
115	F	H	0.0000
116	D	H	0.0000
117	Y	H	0.3606
118	W	H	-0.2439
119	G	H	0.0000
120	Q	H	-1.3894
121	G	H	-0.2660
122	T	H	0.5681
123	L	H	1.6723
124	V	H	0.0000
125	T	H	0.3566
126	V	H	0.0000
127	S	H	-0.7437
128	S	H	-0.6895
1	D	L	-2.2814
2	I	L	0.0000
3	Q	L	-1.8301
4	M	L	0.0000
5	T	L	-0.5851
6	Q	L	0.0000
7	S	L	-0.4389
8	P	L	-0.5928
9	S	L	-0.8304
10	S	L	-1.0202
11	L	L	-0.6494
12	S	L	-0.9087
13	A	L	0.0000
14	S	L	-0.2907
15	V	L	0.5981
16	G	L	-0.6180
17	D	L	-1.3428
18	R	L	-2.1519
19	V	L	0.0000
20	T	L	-0.6058
21	I	L	0.0000
22	T	L	-0.2468
23	C	L	0.0000
24	L	L	-0.2213
25	A	L	0.0000
26	S	L	-1.1929
27	E	L	-1.3126
28	G	L	-0.6238
29	I	L	0.0000
36	S	L	-0.4463
37	S	L	-0.6056
38	T	L	-0.0549
39	L	L	0.0000
40	A	L	0.0000
41	W	L	0.0000
42	Y	L	0.0000
43	Q	L	-0.8990
44	Q	L	0.0000
45	K	L	-1.7562
46	P	L	-1.3114
47	G	L	-1.6539
48	K	L	-2.5985
49	A	L	-1.5645
50	P	L	0.0000
51	K	L	-1.2645
52	L	L	0.0000
53	L	L	0.0000
54	I	L	0.0000
55	Y	L	0.1185
56	G	L	-0.3303
57	A	L	0.0000
65	N	L	-1.3712
66	S	L	-0.4457
67	L	L	0.0650
68	Q	L	-0.2359
69	T	L	-0.2298
70	G	L	-0.4955
71	V	L	0.0000
72	P	L	-0.3811
74	S	L	-0.4255
75	R	L	-0.8132
76	F	L	0.0000
77	S	L	-0.6030
78	G	L	-0.7629
79	S	L	-1.0928
80	G	L	-1.0849
83	S	L	-0.9661
84	A	L	-0.6508
85	T	L	-0.8214
86	D	L	-1.2542
87	Y	L	0.0000
88	T	L	-0.5892
89	L	L	0.0000
90	T	L	-0.6295
91	I	L	0.0000
92	S	L	-1.3250
93	S	L	-1.0487
94	L	L	0.0000
95	Q	L	-0.5988
96	P	L	-0.7854
97	E	L	-1.7669
98	D	L	0.0000
99	F	L	-0.6243
100	A	L	0.0000
101	T	L	-1.0257
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	0.3204
108	Y	L	0.3162
109	K	L	-0.9123
114	F	L	-0.1157
115	P	L	-0.3816
116	N	L	0.0000
117	T	L	-0.7962
118	F	L	0.0000
119	G	L	0.0000
120	Q	L	-1.7988
121	G	L	0.0000
122	T	L	0.0000
123	K	L	-1.7300
124	V	L	0.0000
125	E	L	-1.3133
126	V	L	0.4232
127	K	L	-1.0235