Project name: OHRacle_PhlD_8cf0a_relaxed_rank_001_alphafold2_multimer_v3_model_1_seed_000_1753188150

Chain sequence(s)	A: MSTLCLPHVMFPQHKITQQQMVDHLENLHADHPRMALAKRMIANTEVNERHLVLPIDELAVHTGFTHRSIVYEREARQMSSAAARQAIENAGLQISDIRMVIVTSCTGFMMPSLTAHLINDLALPTSTVQLPIAQLGCVAGAAAINRANDFARLDARNHVLIVSLEFSSLCYQPDDTKLHAFISAALFGDAVSACVLRADDQAGGFKIKKTESYFLPKSEHYIKYDVKDTGFHFTLDKAVMNSIKDVAPVMERLNYESFEQNCAHNDFFIFHTGGRKILDELVMHLDLASNRVSQSRSSLSEAGNIASVVVFDVLKRQFDSNLNRGDIGLLAAFGPGFTAEMAVGEWTA; B: MSTLCLPHVMFPQHKITQQQMVDHLENLHADHPRMALAKRMIANTEVNERHLVLPIDELAVHTGFTHRSIVYEREARQMSSAAARQAIENAGLQISDIRMVIVTSCTGFMMPSLTAHLINDLALPTSTVQLPIAQLGCVAGAAAINRANDFARLDARNHVLIVSLEFSSLCYQPDDTKLHAFISAALFGDAVSACVLRADDQAGGFKIKKTESYFLPKSEHYIKYDVKDTGFHFTLDKAVMNSIKDVAPVMERLNYESFEQNCAHNDFFIFHTGGRKILDELVMHLDLASNRVSQSRSSLSEAGNIASVVVFDVLKRQFDSNLNRGDIGLLAAFGPGFTAEMAVGEWTA
Selected Chain(s)	A,B
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                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:09:35)
[INFO]       Main:     Simulation completed successfully.                                          (00:09:40)

• Minimal score value: -3.2396
• Maximal score value: 0.7786
• Average score: -0.6733
• Total score value: -469.9636

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	M	A	-0.2547
2	S	A	0.0000
3	T	A	0.0000
4	L	A	0.0000
5	C	A	0.0000
6	L	A	-0.2029
7	P	A	0.0000
8	H	A	-0.7195
9	V	A	0.1849
10	M	A	0.3520
11	F	A	0.1756
12	P	A	0.0000
13	Q	A	-1.5547
14	H	A	-1.5208
15	K	A	-2.3056
16	I	A	0.0000
17	T	A	-2.3205
18	Q	A	-2.2990
19	Q	A	-2.5911
20	Q	A	-2.5955
21	M	A	0.0000
22	V	A	0.0000
23	D	A	-2.7730
24	H	A	-2.0273
25	L	A	0.0000
26	E	A	-2.4187
27	N	A	-2.0457
28	L	A	-1.0104
29	H	A	-1.5428
30	A	A	-1.6726
31	D	A	-2.3969
32	H	A	-1.9358
33	P	A	-1.5781
34	R	A	-2.2215
35	M	A	0.0000
36	A	A	-0.9817
37	L	A	-0.6093
38	A	A	0.0000
39	K	A	-2.1114
40	R	A	-2.0917
41	M	A	-1.3105
42	I	A	0.0000
43	A	A	-2.0933
44	N	A	-2.5004
45	T	A	0.0000
46	E	A	-3.1208
47	V	A	0.0000
48	N	A	-2.8281
49	E	A	-2.8721
50	R	A	0.0000
51	H	A	-1.3743
52	L	A	0.0000
53	V	A	0.0000
54	L	A	-0.7380
55	P	A	-1.2408
56	I	A	-0.9986
57	D	A	-1.7281
58	E	A	-1.2070
59	L	A	0.0000
60	A	A	-0.2397
61	V	A	0.7786
62	H	A	0.1197
63	T	A	0.0854
64	G	A	-0.5069
65	F	A	0.0000
66	T	A	-0.6265
67	H	A	-0.0535
68	R	A	0.0000
69	S	A	-0.2033
70	I	A	0.5218
71	V	A	0.0000
72	Y	A	0.0000
73	E	A	-1.6848
74	R	A	-2.5367
75	E	A	-1.9778
76	A	A	0.0000
77	R	A	-2.2848
78	Q	A	-2.3909
79	M	A	0.0000
80	S	A	0.0000
81	S	A	-1.4176
82	A	A	-1.1373
83	A	A	0.0000
84	A	A	0.0000
85	R	A	-2.5496
86	Q	A	-2.1190
87	A	A	0.0000
88	I	A	0.0000
89	E	A	-2.9090
90	N	A	-1.6988
91	A	A	0.0000
92	G	A	-1.6828
93	L	A	0.0000
94	Q	A	-1.8326
95	I	A	-0.9994
96	S	A	-0.8213
97	D	A	-1.4892
98	I	A	0.0000
99	R	A	-1.4287
100	M	A	0.0000
101	V	A	0.0000
102	I	A	0.0000
103	V	A	0.0000
104	T	A	0.0000
105	S	A	0.0000
106	C	A	0.0000
107	T	A	0.0000
108	G	A	0.0000
109	F	A	0.0000
110	M	A	0.0000
111	M	A	0.0000
112	P	A	0.0000
113	S	A	0.0000
114	L	A	0.0000
115	T	A	0.0000
116	A	A	0.0000
117	H	A	0.0000
118	L	A	0.0000
119	I	A	0.0000
120	N	A	-1.5206
121	D	A	-2.2902
122	L	A	0.0000
123	A	A	-0.5177
124	L	A	0.0000
125	P	A	-0.4037
126	T	A	-0.3060
127	S	A	-0.4344
128	T	A	0.0000
129	V	A	0.0000
130	Q	A	0.0000
131	L	A	0.0000
132	P	A	0.0000
133	I	A	0.0000
134	A	A	0.0000
135	Q	A	0.0000
136	L	A	0.0000
137	G	A	0.0000
138	C	A	0.0000
139	V	A	0.0000
140	A	A	0.0000
141	G	A	0.0000
142	A	A	0.0000
143	A	A	0.0000
144	A	A	0.0000
145	I	A	0.0000
146	N	A	0.0000
147	R	A	0.0000
148	A	A	0.0000
149	N	A	0.0000
150	D	A	-0.4868
151	F	A	0.0000
152	A	A	0.0000
153	R	A	-1.1545
154	L	A	-0.8745
155	D	A	-1.2135
156	A	A	-1.4150
157	R	A	-2.3667
158	N	A	0.0000
159	H	A	0.0000
160	V	A	0.0000
161	L	A	0.0000
162	I	A	0.0000
163	V	A	0.0000
164	S	A	0.0000
165	L	A	0.0000
166	E	A	0.0000
167	F	A	0.0000
168	S	A	0.0533
169	S	A	0.0000
170	L	A	0.0000
171	C	A	0.1088
172	Y	A	0.0386
173	Q	A	-0.5266
174	P	A	0.0000
175	D	A	-1.9223
176	D	A	-1.7843
177	T	A	-1.7191
178	K	A	-2.3309
179	L	A	-1.1187
180	H	A	-1.2853
181	A	A	-0.9647
182	F	A	0.0000
183	I	A	-0.5119
184	S	A	0.0636
185	A	A	0.0307
186	A	A	0.0000
187	L	A	0.0000
188	F	A	0.0000
189	G	A	0.0000
190	D	A	0.0000
191	A	A	0.0000
192	V	A	0.0000
193	S	A	0.0000
194	A	A	0.0000
195	C	A	0.0000
196	V	A	0.0000
197	L	A	0.0000
198	R	A	0.0000
199	A	A	0.0000
200	D	A	-1.8759
201	D	A	-2.3588
202	Q	A	-2.1978
203	A	A	-1.2742
204	G	A	-0.7973
205	G	A	0.0000
206	F	A	0.0000
207	K	A	-0.8725
208	I	A	0.0000
209	K	A	-1.0026
210	K	A	-1.4750
211	T	A	-0.8115
212	E	A	-0.5732
213	S	A	0.0000
214	Y	A	-0.0344
215	F	A	0.0000
216	L	A	-0.5259
217	P	A	-1.0481
218	K	A	-2.1251
219	S	A	0.0000
220	E	A	-1.5993
221	H	A	-1.6834
222	Y	A	-1.3148
223	I	A	0.0000
224	K	A	-1.1304
225	Y	A	0.0000
226	D	A	-1.1365
227	V	A	0.0000
228	K	A	-1.4468
229	D	A	-1.7287
230	T	A	-1.0663
231	G	A	0.0000
232	F	A	0.0000
233	H	A	-0.5870
234	F	A	-0.1215
235	T	A	-0.7637
236	L	A	-0.8163
237	D	A	-1.8151
238	K	A	-2.2096
239	A	A	-1.4100
240	V	A	0.0000
241	M	A	-1.4739
242	N	A	-2.0829
243	S	A	0.0000
244	I	A	0.0000
245	K	A	-2.2374
246	D	A	-1.7384
247	V	A	0.0000
248	A	A	0.0000
249	P	A	-1.1172
250	V	A	-0.7402
251	M	A	0.0000
252	E	A	-1.6306
253	R	A	-2.4243
254	L	A	-1.6258
255	N	A	0.0000
256	Y	A	-1.6527
257	E	A	-2.5823
258	S	A	0.0000
259	F	A	-1.0685
260	E	A	-2.3488
261	Q	A	-1.9012
262	N	A	-2.1809
263	C	A	0.0000
264	A	A	-1.6237
265	H	A	-1.7613
266	N	A	0.0000
267	D	A	-1.6747
268	F	A	0.0000
269	F	A	0.0000
270	I	A	0.0000
271	F	A	0.0000
272	H	A	0.0000
273	T	A	0.0000
274	G	A	-0.3210
275	G	A	0.0000
276	R	A	-1.8507
277	K	A	-1.6889
278	I	A	0.0000
279	L	A	0.0000
280	D	A	-0.5142
281	E	A	0.0000
282	L	A	0.0000
283	V	A	-0.4319
284	M	A	-0.0087
285	H	A	-1.1414
286	L	A	0.0000
287	D	A	-1.7890
288	L	A	0.0000
289	A	A	-0.9193
290	S	A	-1.0934
291	N	A	-1.7110
292	R	A	-1.4317
293	V	A	0.0000
294	S	A	-1.0833
295	Q	A	-0.9170
296	S	A	0.0000
297	R	A	-1.5538
298	S	A	-1.2849
299	S	A	0.0000
300	L	A	0.0000
301	S	A	-2.3011
302	E	A	-2.6410
303	A	A	0.0000
304	G	A	0.0000
305	N	A	0.0000
306	I	A	0.0000
307	A	A	0.0000
308	S	A	0.0000
309	V	A	0.0000
310	V	A	0.0000
311	V	A	0.0000
312	F	A	0.0000
313	D	A	0.0000
314	V	A	0.0000
315	L	A	0.0000
316	K	A	-0.8248
317	R	A	-1.0305
318	Q	A	0.0000
319	F	A	-0.7839
320	D	A	-2.0062
321	S	A	-1.6459
322	N	A	-1.7925
323	L	A	-1.8104
324	N	A	-2.6395
325	R	A	-2.6230
326	G	A	-1.7503
327	D	A	-1.6202
328	I	A	-1.0139
329	G	A	0.0000
330	L	A	0.0000
331	L	A	0.0000
332	A	A	0.0000
333	A	A	0.0000
334	F	A	0.0000
335	G	A	0.0000
336	P	A	0.0000
337	G	A	0.0000
338	F	A	0.0000
339	T	A	0.0000
340	A	A	0.0000
341	E	A	0.0000
342	M	A	0.0000
343	A	A	0.0000
344	V	A	0.0000
345	G	A	0.0000
346	E	A	-1.3549
347	W	A	0.0000
348	T	A	-1.5537
349	A	A	-1.0322
1	M	B	-0.2621
2	S	B	0.0000
3	T	B	0.0000
4	L	B	0.0000
5	C	B	0.0000
6	L	B	-0.1758
7	P	B	0.0000
8	H	B	-0.7330
9	V	B	0.1754
10	M	B	0.3510
11	F	B	0.1682
12	P	B	0.0000
13	Q	B	-1.5713
14	H	B	-1.5596
15	K	B	-2.3288
16	I	B	0.0000
17	T	B	-2.3107
18	Q	B	-2.2170
19	Q	B	-2.5730
20	Q	B	-2.5706
21	M	B	0.0000
22	V	B	0.0000
23	D	B	-2.6688
24	H	B	-1.9726
25	L	B	0.0000
26	E	B	-2.3220
27	N	B	-1.9841
28	L	B	-0.9579
29	H	B	-1.4960
30	A	B	-1.6377
31	D	B	-2.3868
32	H	B	-1.9375
33	P	B	-1.5962
34	R	B	-2.2879
35	M	B	0.0000
36	A	B	-1.0343
37	L	B	-0.7431
38	A	B	0.0000
39	K	B	-2.0976
40	R	B	-2.0994
41	M	B	-1.2417
42	I	B	0.0000
43	A	B	-1.9454
44	N	B	-2.2622
45	T	B	0.0000
46	E	B	-2.5385
47	V	B	0.0000
48	N	B	-2.6666
49	E	B	-2.7785
50	R	B	0.0000
51	H	B	-1.3740
52	L	B	0.0000
53	V	B	0.0000
54	L	B	-0.7816
55	P	B	-1.3390
56	I	B	-1.1001
57	D	B	-1.8127
58	E	B	-1.3373
59	L	B	0.0000
60	A	B	-0.2902
61	V	B	0.7429
62	H	B	0.0991
63	T	B	0.0585
64	G	B	-0.5374
65	F	B	0.0000
66	T	B	-0.7413
67	H	B	-0.2030
68	R	B	0.0000
69	S	B	-0.4663
70	I	B	0.0635
71	V	B	-0.4218
72	Y	B	0.0000
73	E	B	-2.4612
74	R	B	-3.0942
75	E	B	-2.4233
76	A	B	0.0000
77	R	B	-3.2396
78	Q	B	-2.7947
79	M	B	0.0000
80	S	B	0.0000
81	S	B	0.0000
82	A	B	-1.1635
83	A	B	0.0000
84	A	B	0.0000
85	R	B	-2.5014
86	Q	B	-2.1427
87	A	B	0.0000
88	I	B	0.0000
89	E	B	-2.8729
90	N	B	-1.6652
91	A	B	0.0000
92	G	B	-1.6013
93	L	B	-1.2336
94	Q	B	-1.7153
95	I	B	-0.9319
96	S	B	-0.7328
97	D	B	-1.3190
98	I	B	0.0000
99	R	B	-1.3816
100	M	B	0.0000
101	V	B	0.0000
102	I	B	0.0000
103	V	B	0.0000
104	T	B	0.0000
105	S	B	0.0000
106	C	B	0.0000
107	T	B	0.0000
108	G	B	0.0000
109	F	B	0.0000
110	M	B	0.0000
111	M	B	0.0000
112	P	B	0.0000
113	S	B	0.0000
114	L	B	0.0000
115	T	B	0.0000
116	A	B	0.0000
117	H	B	-0.9940
118	L	B	0.0000
119	I	B	0.0000
120	N	B	-1.0413
121	D	B	-1.4027
122	L	B	0.0000
123	A	B	-0.2011
124	L	B	0.0000
125	P	B	-0.3519
126	T	B	-0.2033
127	S	B	-0.3061
128	T	B	0.0000
129	V	B	0.0000
130	Q	B	0.0000
131	L	B	0.0000
132	P	B	0.0000
133	I	B	0.0000
134	A	B	0.0000
135	Q	B	0.0000
136	L	B	0.0000
137	G	B	0.0000
138	C	B	0.0000
139	V	B	0.0000
140	A	B	0.0000
141	G	B	0.0000
142	A	B	0.0000
143	A	B	0.0000
144	A	B	0.0000
145	I	B	0.0000
146	N	B	0.0000
147	R	B	0.0000
148	A	B	0.0000
149	N	B	0.0000
150	D	B	-0.6416
151	F	B	0.0000
152	A	B	0.0000
153	R	B	-1.7981
154	L	B	-0.9497
155	D	B	-1.3173
156	A	B	-1.4809
157	R	B	-2.3885
158	N	B	0.0000
159	H	B	0.0000
160	V	B	0.0000
161	L	B	0.0000
162	I	B	0.0000
163	V	B	0.0000
164	S	B	0.0000
165	L	B	0.0000
166	E	B	0.0000
167	F	B	0.0000
168	S	B	0.0626
169	S	B	0.0000
170	L	B	0.0000
171	C	B	0.1277
172	Y	B	0.0444
173	Q	B	-0.5206
174	P	B	0.0000
175	D	B	-1.9053
176	D	B	-1.7850
177	T	B	-1.7551
178	K	B	-2.4305
179	L	B	-1.3874
180	H	B	-1.4617
181	A	B	-1.0778
182	F	B	0.0000
183	I	B	-0.5720
184	S	B	0.0115
185	A	B	0.0018
186	A	B	0.0000
187	L	B	0.0000
188	F	B	0.0000
189	G	B	0.0000
190	D	B	0.0000
191	A	B	0.0000
192	V	B	0.0000
193	S	B	0.0000
194	A	B	0.0000
195	C	B	0.0000
196	V	B	0.0000
197	L	B	0.0000
198	R	B	0.0000
199	A	B	0.0000
200	D	B	-1.8907
201	D	B	-2.2695
202	Q	B	-2.1869
203	A	B	-1.2354
204	G	B	-0.7933
205	G	B	0.0000
206	F	B	0.0000
207	K	B	-0.8999
208	I	B	0.0000
209	K	B	-1.3172
210	K	B	-1.6466
211	T	B	-0.9911
212	E	B	-0.8346
213	S	B	0.0000
214	Y	B	0.0000
215	F	B	0.0000
216	L	B	0.0000
217	P	B	-1.2692
218	K	B	-2.2471
219	S	B	0.0000
220	E	B	-1.3796
221	H	B	-1.4797
222	Y	B	-1.0726
223	I	B	0.0000
224	K	B	-1.0298
225	Y	B	0.0000
226	D	B	-1.1462
227	V	B	0.0000
228	K	B	-1.3530
229	D	B	-1.6927
230	T	B	-1.0512
231	G	B	0.0000
232	F	B	0.0000
233	H	B	-0.5909
234	F	B	-0.1463
235	T	B	-0.6933
236	L	B	-0.5842
237	D	B	-1.3767
238	K	B	-1.9492
239	A	B	-1.1470
240	V	B	0.0000
241	M	B	-1.0947
242	N	B	-1.6145
243	S	B	0.0000
244	I	B	0.0000
245	K	B	-1.8148
246	D	B	-1.7161
247	V	B	0.0000
248	A	B	0.0000
249	P	B	-1.0833
250	V	B	-0.7683
251	M	B	0.0000
252	E	B	-1.5460
253	R	B	-2.3691
254	L	B	0.0000
255	N	B	0.0000
256	Y	B	-1.3701
257	E	B	-2.4781
258	S	B	-1.5364
259	F	B	-1.0335
260	E	B	-2.2209
261	Q	B	-1.7660
262	N	B	-1.9948
263	C	B	0.0000
264	A	B	-1.6782
265	H	B	-1.8825
266	N	B	0.0000
267	D	B	-2.3111
268	F	B	0.0000
269	F	B	0.0000
270	I	B	0.0000
271	F	B	0.0000
272	H	B	0.0000
273	T	B	0.0000
274	G	B	-0.2637
275	G	B	0.0000
276	R	B	-1.5214
277	K	B	-1.3587
278	I	B	0.0000
279	L	B	0.0000
280	D	B	-0.4694
281	E	B	0.0000
282	L	B	0.0000
283	V	B	-0.4134
284	M	B	0.0804
285	H	B	-0.9543
286	L	B	0.0000
287	D	B	-1.7334
288	L	B	0.0000
289	A	B	-0.8501
290	S	B	-1.1244
291	N	B	-1.7466
292	R	B	-1.6041
293	V	B	0.0000
294	S	B	-1.1346
295	Q	B	-0.9500
296	S	B	0.0000
297	R	B	-1.4027
298	S	B	-1.2056
299	S	B	0.0000
300	L	B	0.0000
301	S	B	-2.0782
302	E	B	-2.5088
303	A	B	0.0000
304	G	B	0.0000
305	N	B	0.0000
306	I	B	0.0000
307	A	B	0.0000
308	S	B	0.0000
309	V	B	0.0000
310	V	B	0.0000
311	V	B	0.0000
312	F	B	0.0000
313	D	B	0.0000
314	V	B	0.0000
315	L	B	0.0000
316	K	B	-0.8813
317	R	B	-1.0865
318	Q	B	0.0000
319	F	B	-0.7812
320	D	B	-2.0069
321	S	B	-1.6471
322	N	B	-1.7802
323	L	B	-1.9132
324	N	B	-2.7314
325	R	B	-2.6620
326	G	B	-1.9055
327	D	B	-1.8523
328	I	B	-1.2126
329	G	B	0.0000
330	L	B	0.0000
331	L	B	0.0000
332	A	B	0.0000
333	A	B	0.0000
334	F	B	0.0000
335	G	B	0.0000
336	P	B	0.0000
337	G	B	0.0000
338	F	B	0.0000
339	T	B	0.0000
340	A	B	0.0000
341	E	B	0.0000
342	M	B	0.0000
343	A	B	0.0000
344	V	B	0.0000
345	G	B	0.0000
346	E	B	-1.5135
347	W	B	0.0000
348	T	B	-1.5692
349	A	B	-1.0800