Project name: a6e2f173553f72e [mutate: YA269A, LA270A, QA271A, PA272A, RA273A, TA274A, FA275B, LA276B, LA277B]

Chain sequence(s)	A: QCVNLTTRTQLPPAYTNSFTRGVYYPDKVFRSSVLHSTQDLFLPFFSNVTWFHAIHVKRFDNPVLPFNDGVYFASTEKSNIIRGWIFGTTLDSKTQSLLIVNNATNVVIKVCEFQFCNDPFLGVYYHSWMESEFRVYSSANNCTFEYVSQPFLFKNLREFVFKNIDGYFKIYSKHTPINLVRDLPQGFSALEPLVDLPIGINITRFQTLLALHRSSSSGWTAGAAAYYVGYLQPRTFLLKYNENGTITDAVDCALDPLSETKCTLKSFTVEKGIYQTSNFRVQPTESIVRFPNITNLCPFGEVFNATRFASVYAWNRKRISNCVADYSVLYNSASFSTFKCYGVSPTKLNDLCFTNVYADSFVIRGDEVRQIAPGQTGKIADYNYKLPDDFTGCVIAWNSNNLDSKVGGNYNYLYRQSYGFQPTNGVGYQPYRVVVLSFELLHAPATVCGPKKSTNLVKNKCVNFNFNGLTGTGVLTESNKKFLPFQQFGRDIADTTDAVRDPQTLEILDITPCSFGGVSVITPGTNTSNQVAVLYQDVNCTEVPVAIHADQLTPTWRVYSTGSNVFQTRAGCLIGAEHVNNSYECDIPIGAGICASYQQSIIAYTMSLGAENSVAYSNNSIAIPTNFTISVTTEILPVSMTKTSVDCTMYICGDSTECSNLLLQYGSFCTQLNRALTGIAVEQDKNTQEVFAQVKQIYKTPPIKDFGGFNFSQILPDPSKPSKRSPIEDLLFNKVKFNGLTVLPPLLTDEMIAQYTSALLAGTITSGWTFGAGPALQIPFPMQMAYRFNGIGVTQNVLYENQKLIANQFNSAIGKIQDSLSSTPSALGKLQDVVNQNAQALNTLVKQLSSNFGAISSVLNDILSRLDPPEAEVQIDRLITGRLQSLQTYVTQQLIRAAEIRASANLAATKMSECVLGQSKRVDFCGKGYHLMSFPQSAPHGVVFLHVTYVPAQEKNFTTAPAICHDGKAHFPREGVFVSNGTHWFVTQRNFYEPQIITTDNTFVSGNCDVVIGIVNNTVYDPLQPEL; C: QCVNLTTRTQLPPAYTNSFTRGVYYPDKVFRSSVLHSTQDLFLPFFSNVTWFHAIHVKRFDNPVLPFNDGVYFASTEKSNIIRGWIFGTTLDSKTQSLLIVNNATNVVIKVCEFQFCNDPFLGVYYHSWMESEFRVYSSANNCTFEYVSQPFLFKNLREFVFKNIDGYFKIYSKHTPINLVRDLPQGFSALEPLVDLPIGINITRFQTLLALHRSSSSGWTAGAAAYYVGYLQPRTFLLKYNENGTITDAVDCALDPLSETKCTLKSFTVEKGIYQTSNFRVQPTESIVRFPNITNLCPFGEVFNATRFASVYAWNRKRISNCVADYSVLYNSASFSTFKCYGVSPTKLNDLCFTNVYADSFVIRGDEVRQIAPGQTGKIADYNYKLPDDFTGCVIAWNSNNLDSKVGGNYNYLYRQSYGFQPTNGVGYQPYRVVVLSFELLHAPATVCGPKKSTNLVKNKCVNFNFNGLTGTGVLTESNKKFLPFQQFGRDIADTTDAVRDPQTLEILDITPCSFGGVSVITPGTNTSNQVAVLYQDVNCTEVPVAIHADQLTPTWRVYSTGSNVFQTRAGCLIGAEHVNNSYECDIPIGAGICASYQQSIIAYTMSLGAENSVAYSNNSIAIPTNFTISVTTEILPVSMTKTSVDCTMYICGDSTECSNLLLQYGSFCTQLNRALTGIAVEQDKNTQEVFAQVKQIYKTPPIKDFGGFNFSQILPDPSKPSKRSPIEDLLFNKVKFNGLTVLPPLLTDEMIAQYTSALLAGTITSGWTFGAGPALQIPFPMQMAYRFNGIGVTQNVLYENQKLIANQFNSAIGKIQDSLSSTPSALGKLQDVVNQNAQALNTLVKQLSSNFGAISSVLNDILSRLDPPEAEVQIDRLITGRLQSLQTYVTQQLIRAAEIRASANLAATKMSECVLGQSKRVDFCGKGYHLMSFPQSAPHGVVFLHVTYVPAQEKNFTTAPAICHDGKAHFPREGVFVSNGTHWFVTQRNFYEPQIITTDNTFVSGNCDVVIGIVNNTVYDPLQPEL; B: QCVNLTTRTQLPPAYTNSFTRGVYYPDKVFRSSVLHSTQDLFLPFFSNVTWFHAIHVKRFDNPVLPFNDGVYFASTEKSNIIRGWIFGTTLDSKTQSLLIVNNATNVVIKVCEFQFCNDPFLGVYYHSWMESEFRVYSSANNCTFEYVSQPFLFKNLREFVFKNIDGYFKIYSKHTPINLVRDLPQGFSALEPLVDLPIGINITRFQTLLALHRSSSSGWTAGAAAYYVGYLQPRTFLLKYNENGTITDAVDCALDPLSETKCTLKSFTVEKGIYQTSNFRVQPTESIVRFPNITNLCPFGEVFNATRFASVYAWNRKRISNCVADYSVLYNSASFSTFKCYGVSPTKLNDLCFTNVYADSFVIRGDEVRQIAPGQTGKIADYNYKLPDDFTGCVIAWNSNNLDSKVGGNYNYLYRQSYGFQPTNGVGYQPYRVVVLSFELLHAPATVCGPKKSTNLVKNKCVNFNFNGLTGTGVLTESNKKFLPFQQFGRDIADTTDAVRDPQTLEILDITPCSFGGVSVITPGTNTSNQVAVLYQDVNCTEVPVAIHADQLTPTWRVYSTGSNVFQTRAGCLIGAEHVNNSYECDIPIGAGICASYQQSIIAYTMSLGAENSVAYSNNSIAIPTNFTISVTTEILPVSMTKTSVDCTMYICGDSTECSNLLLQYGSFCTQLNRALTGIAVEQDKNTQEVFAQVKQIYKTPPIKDFGGFNFSQILPDPSKPSKRSPIEDLLFNKVKFNGLTVLPPLLTDEMIAQYTSALLAGTITSGWTFGAGPALQIPFPMQMAYRFNGIGVTQNVLYENQKLIANQFNSAIGKIQDSLSSTPSALGKLQDVVNQNAQALNTLVKQLSSNFGAISSVLNDILSRLDPPEAEVQIDRLITGRLQSLQTYVTQQLIRAAEIRASANLAATKMSECVLGQSKRVDFCGKGYHLMSFPQSAPHGVVFLHVTYVPAQEKNFTTAPAICHDGKAHFPREGVFVSNGTHWFVTQRNFYEPQIITTDNTFVSGNCDVVIGIVNNTVYDPLQPEL; E: EVQLVESGGGVVQPGGSLRLSCAASGFTFNSYGMHWVRQAPGKGLEWVAFIRYDGGNKYYADSVKGRFTISRDNSKNTLYLQMKSLRAEDTAVYYCANLKDSRYSGSYYDYWGQGTLVTVS; D: VIWMTQSPSSLSASVGDRVTITCQASQDIRFYLNWYQQKPGKAPKLLISDASNMETGVPSRFSGSGSGTDFTFTISSLQPEDIATYYCQQYDNLPFTFGPGTKVDFK; G: VIWMTQSPSSLSASVGDRVTITCQASQDIRFYLNWYQQKPGKAPKLLISDASNMETGVPSRFSGSGSGTDFTFTISSLQPEDIATYYCQQYDNLPFTFGPGTKVDFK; F: EVQLVESGGGVVQPGGSLRLSCAASGFTFNSYGMHWVRQAPGKGLEWVAFIRYDGGNKYYADSVKGRFTISRDNSKNTLYLQMKSLRAEDTAVYYCANLKDSRYSGSYYDYWGQGTLVTVS; H: EVQLVESGGGVVQPGGSLRLSCAASGFTFNSYGMHWVRQAPGKGLEWVAFIRYDGGNKYYADSVKGRFTISRDNSKNTLYLQMKSLRAEDTAVYYCANLKDSRYSGSYYDYWGQGTLVTVS; L: VIWMTQSPSSLSASVGDRVTITCQASQDIRFYLNWYQQKPGKAPKLLISDASNMETGVPSRFSGSGSGTDFTFTISSLQPEDIATYYCQQYDNLPFTFGPGTKVDFK
Selected Chain(s)	A,C,B,E,D,G,F,H,L
Distance of aggregation	10 Å
FoldX usage	Yes
pH calculations	Yes
alphaCutter usage	No
Dynamic mode	No
Automated mutations	No
Mutated residues	LA277B,FA275B,YA269A,LA276B,LA270A,QA271A,PA272A,RA273A,TA274A
Energy difference between WT (input) and mutated protein (by FoldX)	29.1696 kcal/mol CAUTION: Your mutation/s can destabilize the protein structure

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]       PDB-Info: The input structure is globular. Max score is recommended for pH analysis.  (00:00:19)
[INFO]       FoldX:    Starting FoldX energy minimization                                          (00:00:19)
[INFO]       FoldX:    Building mutant model                                                       (00:16:55)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:19:22)
[INFO]       agg3D:    Running pKa-ANI on                                                          
                       /STORAGE/DATA/lcbio/aggreskan/e990948df3fb39f/tmp/folded.pdb                (00:19:22)
[INFO]       Main:     Simulation completed successfully.                                          (00:53:47)

• Minimal score value: -3.3458
• Maximal score value: 1.7321
• Average score: -0.5598
• Total score value: -2109.3441

The table below lists A4D score for protein residues. Residues with A4D score > 0.0000 are marked by yellow rows.

residue index	residue name	chain	Aggrescan4D score	mutation
14	Q	A	-0.7674
15	C	A	-0.6414
16	V	A	0.0000
17	N	A	-1.5682
18	L	A	0.0000
19	T	A	-1.4818
20	T	A	-1.5295
21	R	A	-2.4228
22	T	A	-1.5802
23	Q	A	-1.3409
24	L	A	-0.6742
25	P	A	-0.5179
26	P	A	0.0409
27	A	A	0.2324
28	Y	A	0.0697
29	T	A	0.0000
30	N	A	-0.8241
31	S	A	0.0000
32	F	A	0.1177
33	T	A	-0.0206
34	R	A	0.0000
35	G	A	0.0000
36	V	A	0.0000
37	Y	A	0.0000
38	Y	A	0.0000
39	P	A	-0.9147
40	D	A	-1.3690
41	K	A	-1.4912
42	V	A	0.0000
43	F	A	0.0000
44	R	A	0.0000
45	S	A	-1.6688
46	S	A	-1.1126
47	V	A	-0.2391
48	L	A	-0.0113
49	H	A	-0.3409
50	S	A	-0.7647
51	T	A	-0.7578
52	Q	A	-1.3487
53	D	A	-0.8321
54	L	A	-0.2513
55	F	A	0.0000
56	L	A	0.0000
57	P	A	0.1845
58	F	A	0.0000
59	F	A	0.8403
60	S	A	-0.1447
61	N	A	-1.0819
62	V	A	0.0000
63	T	A	0.0000
64	W	A	-0.0851
65	F	A	0.3033
66	H	A	-0.0473
67	A	A	0.0000
68	I	A	0.0000
69	H	A	-0.3237
70	V	A	0.7663
77	K	A	-1.9474
78	R	A	-1.9518
79	F	A	-1.2026
80	D	A	-1.1402
81	N	A	0.0000
82	P	A	-0.0617
83	V	A	0.0000
84	L	A	0.0000
85	P	A	0.0000
86	F	A	0.0000
87	N	A	-0.7385
88	D	A	-0.7759
89	G	A	0.0000
90	V	A	0.0000
91	Y	A	0.0000
92	F	A	0.0000
93	A	A	0.0000
94	S	A	0.0000
95	T	A	-0.9332
96	E	A	-1.5724
97	K	A	-2.1809
98	S	A	-1.5695
99	N	A	-1.5788
100	I	A	0.0000
101	I	A	0.0000
102	R	A	-0.4241
103	G	A	0.0000
104	W	A	0.0000
105	I	A	0.0000
106	F	A	0.0000
107	G	A	0.0000
108	T	A	0.0000
109	T	A	0.0000
110	L	A	-0.3638
111	D	A	-0.8426
112	S	A	-1.1846
113	K	A	-0.8400
114	T	A	-0.8444
115	Q	A	-1.0780
116	S	A	0.0000
117	L	A	0.0000
118	L	A	0.0000
119	I	A	0.0000
120	V	A	0.0000
121	N	A	0.0000
122	N	A	-0.8122
123	A	A	-0.5086
124	T	A	-0.6543
125	N	A	-0.5836
126	V	A	0.0000
127	V	A	0.2988
128	I	A	0.0000
129	K	A	-0.6667
130	V	A	0.0000
131	C	A	0.0000
132	E	A	-1.4901
133	F	A	0.0000
134	Q	A	-1.2116
135	F	A	-0.2982
136	C	A	0.0000
137	N	A	-1.4954
138	D	A	0.0000
139	P	A	0.0000
140	F	A	0.0000
141	L	A	0.0000
142	G	A	0.0000
143	V	A	0.0000
144	Y	A	0.2847
145	Y	A	0.9096
146	H	A	-0.0529
151	S	A	0.3468
152	W	A	1.1641
153	M	A	0.9633
154	E	A	0.3142
155	S	A	0.3933
156	E	A	0.3677
157	F	A	1.3339
158	R	A	0.2781
159	V	A	0.0000
160	Y	A	0.0293
161	S	A	-0.1379
162	S	A	-0.4620
163	A	A	-1.2612
164	N	A	-2.0490
165	N	A	-1.8281
166	C	A	-1.1070
167	T	A	-1.0408
168	F	A	0.0000
169	E	A	-1.3996
170	Y	A	0.2526
171	V	A	1.2808
172	S	A	0.2558
173	Q	A	-1.0486
174	P	A	-0.5913
175	F	A	0.0000
176	L	A	-0.2944
186	F	A	1.1875
187	K	A	-0.3482
188	N	A	-1.3350
189	L	A	0.0000
190	R	A	-0.7985
191	E	A	0.0000
192	F	A	0.0000
193	V	A	0.0000
194	F	A	0.0000
195	K	A	0.0000
196	N	A	-0.7437
197	I	A	-0.3868
198	D	A	-1.5308
199	G	A	-0.9126
200	Y	A	-0.4754
201	F	A	0.0000
202	K	A	-0.4356
203	I	A	0.0000
204	Y	A	0.0000
205	S	A	-0.3389
206	K	A	-0.8274
207	H	A	-1.1181
208	T	A	-0.8674
209	P	A	-0.5618
210	I	A	0.0000
211	N	A	-0.0816
212	L	A	0.6214
213	V	A	0.8343
214	R	A	-1.2035
215	D	A	-1.1678
216	L	A	0.0000
217	P	A	-0.8721
218	Q	A	-1.3660
219	G	A	-0.7461
220	F	A	-0.2179
221	S	A	-0.4089
222	A	A	0.0000
223	L	A	0.0000
224	E	A	-0.8027
225	P	A	-0.5120
226	L	A	0.3917
227	V	A	-0.1010
228	D	A	-0.9364
229	L	A	0.0000
230	P	A	-0.5489
231	I	A	-0.7148
232	G	A	-0.8519
233	I	A	-0.7329
234	N	A	-1.4671
235	I	A	0.0000
236	T	A	0.0000
237	R	A	0.0000
238	F	A	0.0000
239	Q	A	0.0000
240	T	A	0.0000
241	L	A	0.0000
242	L	A	0.0000
243	A	A	0.0000
244	L	A	0.0000
245	H	A	-0.9442
246	R	A	-1.5119
247	S	A	-0.8621
254	S	A	-0.7846
255	S	A	-0.8148
256	S	A	-0.9005
257	G	A	-0.7818
258	W	A	0.0000
259	T	A	-0.9375
260	A	A	-0.6172
261	G	A	-0.5387
262	A	A	-0.2303
263	A	A	0.0000
264	A	A	-0.2545
265	Y	A	0.0000
266	Y	A	0.0000
267	V	A	0.1787
268	G	A	-0.1619
269	A	A	-0.5300	mutated: YA269A
270	A	A	0.0000	mutated: LA270A
271	A	A	-0.4894	mutated: QA271A
272	A	A	-0.5423	mutated: PA272A
273	A	A	-0.3127	mutated: RA273A
274	A	A	-0.5476	mutated: TA274A
275	F	A	0.0000
276	L	A	0.0000
277	L	A	0.0000
278	K	A	-1.0648
279	Y	A	0.0000
280	N	A	-1.8308
281	E	A	-2.9398
282	N	A	-2.8003
283	G	A	0.0000
284	T	A	-1.1285
285	I	A	0.0000
286	T	A	-0.6629
287	D	A	-0.9818
288	A	A	0.0000
289	V	A	0.0000
290	D	A	0.0000
291	C	A	-0.0704
292	A	A	0.0605
293	L	A	0.1940
294	D	A	-0.0730
295	P	A	0.0000
296	L	A	-0.3591
297	S	A	0.0000
298	E	A	-0.5358
299	T	A	0.0000
300	K	A	-0.3952
301	C	A	-0.3591
302	T	A	-0.3819
303	L	A	-0.1227
304	K	A	-1.0471
305	S	A	-0.3974
306	F	A	-0.1020
307	T	A	-0.7206
308	V	A	0.0000
309	E	A	-2.5952
310	K	A	-2.2378
311	G	A	-0.8748
312	I	A	0.0058
313	Y	A	-0.2631
314	Q	A	-1.0482
315	T	A	-0.6516
316	S	A	-0.8756
317	N	A	-1.3894
318	F	A	0.0000
319	R	A	-1.4065
320	V	A	-0.5684
321	Q	A	-1.6474
322	P	A	-1.2921
323	T	A	-1.0371
324	E	A	-1.3093
325	S	A	-1.0147
326	I	A	0.0000
327	V	A	-0.6429
328	R	A	0.0000
329	F	A	-1.1414
330	P	A	-1.0668
331	N	A	-1.5373
332	I	A	-0.1382
333	T	A	-0.2238
334	N	A	-0.5555
335	L	A	0.7575
336	C	A	-0.0441
337	P	A	-0.6642
338	F	A	0.0000
339	G	A	-1.3304
340	E	A	-2.4765
341	V	A	0.0000
342	F	A	0.0000
343	N	A	-2.1442
344	A	A	-1.7269
345	T	A	-1.2101
346	R	A	-1.6400
347	F	A	0.0000
348	A	A	-0.7542
349	S	A	-0.2514
350	V	A	0.0000
351	Y	A	0.3632
352	A	A	-0.0693
353	W	A	-0.4054
354	N	A	-2.1095
355	R	A	-2.9624
356	K	A	-2.6947
357	R	A	-1.4928
358	I	A	0.0000
359	S	A	-0.8413
360	N	A	-1.3446
361	C	A	0.0000
362	V	A	0.1857
363	A	A	0.0860
364	D	A	0.1049
365	Y	A	0.0000
366	S	A	0.1403
367	V	A	1.3490
368	L	A	0.7828
369	Y	A	0.2243
370	N	A	-0.4895
371	S	A	0.0221
372	A	A	-0.2724
373	S	A	-0.3771
374	F	A	0.0006
375	S	A	-0.1216
376	T	A	0.0322
377	F	A	0.2150
378	K	A	-1.0257
379	C	A	-0.4395
380	Y	A	-0.7675
381	G	A	-0.7720
382	V	A	-0.3993
383	S	A	-0.7892
384	P	A	-0.8256
385	T	A	-1.3015
386	K	A	-2.2801
387	L	A	0.0000
388	N	A	-1.7963
389	D	A	-2.5692
390	L	A	-0.6895
391	C	A	0.3512
392	F	A	0.0000
393	T	A	0.4413
394	N	A	0.0000
395	V	A	0.0000
396	Y	A	-0.9406
397	A	A	0.0000
398	D	A	0.0000
399	S	A	0.0000
400	F	A	0.0000
401	V	A	0.0000
402	I	A	0.0000
403	R	A	-0.8122
404	G	A	-0.7606
405	D	A	-1.2075
406	E	A	0.0000
407	V	A	-1.1093
408	R	A	-2.1991
409	Q	A	-1.9405
410	I	A	0.0000
411	A	A	-1.4987
412	P	A	-1.9241
413	G	A	-1.8880
414	Q	A	-1.9582
415	T	A	-1.3331
416	G	A	-1.3257
417	K	A	-1.5567
418	I	A	0.0000
419	A	A	0.0000
420	D	A	-1.1983
421	Y	A	-0.0393
422	N	A	0.0000
423	Y	A	0.0000
424	K	A	-2.0798
425	L	A	0.0000
426	P	A	-2.2937
427	D	A	-3.2476
428	D	A	-2.8704
429	F	A	0.0000
430	T	A	-0.7422
431	G	A	0.0000
432	C	A	0.0000
433	V	A	0.0000
434	I	A	0.0000
435	A	A	0.0000
436	W	A	-0.3472
437	N	A	-1.1034
438	S	A	0.0000
439	N	A	-0.9612
440	N	A	-1.2587
441	L	A	0.0193
442	D	A	0.0000
443	S	A	-0.7668
444	K	A	-1.0852
445	V	A	0.5553
446	G	A	-0.0095
447	G	A	-0.2643
448	N	A	0.0000
449	Y	A	0.2638
450	N	A	-0.7055
451	Y	A	0.0000
452	L	A	-0.0615
453	Y	A	-0.5744
454	R	A	-1.5026
493	Q	A	-1.1613
494	S	A	-0.4057
495	Y	A	0.0000
496	G	A	-0.0211
497	F	A	0.0000
498	Q	A	-0.7202
499	P	A	-0.6892
500	T	A	-0.1522
501	N	A	-0.0494
502	G	A	0.3926
503	V	A	1.1500
504	G	A	0.3047
505	Y	A	0.3326
506	Q	A	-0.3640
507	P	A	0.0000
508	Y	A	0.0000
509	R	A	0.0000
510	V	A	0.0000
511	V	A	0.0000
512	V	A	0.0000
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616	N	A	-1.9637
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641	N	A	-0.6401
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690	Q	A	-1.6512
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737	D	A	-0.5536
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275	A	B	-0.5985	mutated: FA275B
276	A	B	0.0000	mutated: LA276B
277	A	B	0.0000	mutated: LA277B
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65	S	G	-0.6557
66	G	G	-0.9552
67	S	G	-1.1686
68	G	G	-1.8964
69	T	G	-2.2271
70	D	G	-2.5930
71	F	G	0.0000
72	T	G	-0.7277
73	F	G	0.0000
74	T	G	-0.6183
75	I	G	0.0000
76	S	G	-1.2426
77	S	G	-1.0294
78	L	G	0.0000
79	Q	G	-0.6966
80	P	G	-0.8364
81	E	G	-1.8320
82	D	G	0.0000
83	I	G	-0.6578
84	A	G	0.0000
85	T	G	-0.9829
86	Y	G	0.0000
87	Y	G	0.0000
88	C	G	0.0000
89	Q	G	0.0000
90	Q	G	0.0000
91	Y	G	0.0000
92	D	G	-0.9386
93	N	G	-0.1668
94	L	G	0.4802
95	P	G	0.2161
96	F	G	0.0000
97	T	G	0.4062
98	F	G	0.1418
99	G	G	0.0000
100	P	G	-0.8229
101	G	G	-0.8417
102	T	G	0.0000
103	K	G	-1.8801
104	V	G	0.0000
105	D	G	-1.3819
106	F	G	0.0497
107	K	G	-1.2915

Calculations for various pH values

This page contains details and comparisons for all models calculated at different pH points.
Please find suggestions on interpreting the results below. More details can be found in the Tutorial.
The input structure is globular. Max score is recommended for pH analysis.

pH	Average A4D Score	Max A4D Score
4.0	-0.3831	3.8081
4.5	-0.4226	3.8103
5.0	-0.4695	3.817
5.5	-0.5145	3.8345
6.0	-0.5484	3.8718
6.5	-0.5652	3.9341
7.0	-0.5662	4.0175
7.5	-0.5573	4.1131
8.0	-0.5429	4.2136
8.5	-0.5236	4.3156
9.0	-0.4982	4.417