Pinatuzumab / 6and

A4DAB209_6and_H_L | Source PDB: 6and | Chains: H, L | Done
99.57
Yes
10 Å
Yes
Avg A4D Score
-0.742
Max Score
1.6393
Min Score
-3.786
Total Score
-315.34
Score CDR
-0.5974
Score non-CDR
-0.7595

Calculation Parameters

Chain Sequence(s) VQLVESGGGLVQPGGSLRLSCAASGYEFSRSWMNWVRQAPGKGLEWVGRIYPGDGDTQYSGKFKGRFTISADTSKNTAYLQMNSLRAEDTAVYYCARDGSSWDWYFDVWGQGTLVTVSSASTKGPSVFPLAPSGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPDIQMTQSPSSLSASVGDRVTITCRSSQSIVFLEWYQQKPGKAPKLLIYKVSNRFSGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCFQGSQFPYTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGE input.pdb
Selected Chain(s) H (Heavy), L (Light)
Distance of Aggregation 10 Å
FoldX Energy Minimization Yes
pH Calculations Yes
Downloads Download all data (.tar.gz)

Aggrescan4D Profile

Aggregation-prone (score > 0)
Soluble (score < 0)
Buried (score = 0)

Per-Residue A4D Scores

Download CSV
Minimum Score -3.786
Maximum Score 1.6393
Average Score -0.742
Total Score -315.3378

Residues with A4D score > 0.0 are highlighted as aggregation-prone.

Index Residue Chain A4D Score Classification
2 V H 0.9219 Aggregation-prone
3 Q H -0.1617 Soluble
4 L H 0.0000 Buried
5 V H 0.3364 Aggregation-prone
6 E H 0.0000 Buried
7 S H -0.5449 Soluble
8 G H -0.9283 Soluble
9 G H -0.5148 Soluble
11 G H -0.2935 Soluble
12 L H -0.1018 Soluble
13 V H 0.0000 Buried
14 Q H -1.6844 Soluble
15 P H -1.8320 Soluble
16 G H -1.5018 Soluble
17 G H -1.1531 Soluble
18 S H -1.3582 Soluble
19 L H -1.2064 Soluble
20 R H -2.1783 Soluble
21 L H 0.0000 Buried
22 S H -0.5414 Soluble
23 C H 0.0000 Buried
24 A H -0.3993 Soluble
25 A H 0.0000 Buried
26 S H -0.6025 Soluble
27 G H -0.3663 Soluble
28 Y H -0.9698 Soluble
29 E H -2.3330 Soluble
30 F H 0.0000 Buried
35 S H -2.1596 Soluble
36 R H -2.6499 Soluble
37 S H -1.3259 Soluble
38 W H -0.6608 Soluble
39 M H 0.0000 Buried
40 N H 0.0000 Buried
41 W H 0.0000 Buried
42 V H 0.0000 Buried
43 R H 0.0000 Buried
44 Q H -0.7325 Soluble
45 A H -1.1536 Soluble
46 P H -1.0099 Soluble
47 G H -1.5368 Soluble
48 K H -2.2902 Soluble
49 G H -1.4993 Soluble
50 L H 0.0000 Buried
51 E H -0.7801 Soluble
52 W H 0.0000 Buried
53 V H 0.0000 Buried
54 G H 0.0000 Buried
55 R H 0.0000 Buried
56 I H 0.0000 Buried
57 Y H -1.5273 Soluble
58 P H 0.0000 Buried
59 G H -2.4775 Soluble
62 D H -2.9254 Soluble
63 G H -2.2818 Soluble
64 D H -2.5349 Soluble
65 T H -1.2743 Soluble
66 Q H -0.8274 Soluble
67 Y H -0.9230 Soluble
68 S H -1.2967 Soluble
69 G H -2.0673 Soluble
70 K H -2.5319 Soluble
71 F H 0.0000 Buried
72 K H -2.7061 Soluble
74 G H -1.9766 Soluble
75 R H -1.6385 Soluble
76 F H 0.0000 Buried
77 T H -1.0258 Soluble
78 I H 0.0000 Buried
79 S H -0.6038 Soluble
80 A H -1.2364 Soluble
81 D H -1.4817 Soluble
82 T H -1.9843 Soluble
83 S H -1.4029 Soluble
84 K H -2.2793 Soluble
85 N H -1.9550 Soluble
86 T H 0.0000 Buried
87 A H 0.0000 Buried
88 Y H 0.0000 Buried
89 L H 0.0000 Buried
90 Q H -1.3667 Soluble
91 M H 0.0000 Buried
92 N H -1.5508 Soluble
93 S H -1.3158 Soluble
94 L H 0.0000 Buried
95 R H -2.5039 Soluble
96 A H -1.8339 Soluble
97 E H -2.2803 Soluble
98 D H 0.0000 Buried
99 T H -0.7548 Soluble
100 A H 0.0000 Buried
101 V H 0.1839 Aggregation-prone
102 Y H 0.0000 Buried
103 Y H 0.0000 Buried
104 C H 0.0000 Buried
105 A H 0.0000 Buried
106 R H -0.3165 Soluble
107 D H 0.0000 Buried
108 G H -0.1377 Soluble
109 S H 0.1685 Aggregation-prone
110 S H 0.2181 Aggregation-prone
111 W H 0.7554 Aggregation-prone
112 D H -0.3278 Soluble
113 W H -0.0612 Soluble
114 Y H 0.0000 Buried
115 F H 0.0000 Buried
116 D H -0.4836 Soluble
117 V H -0.0749 Soluble
118 W H -0.4795 Soluble
119 G H 0.0000 Buried
120 Q H -1.4677 Soluble
121 G H -0.6235 Soluble
122 T H -0.0965 Soluble
123 L H 0.2177 Aggregation-prone
124 V H 0.0000 Buried
125 T H 0.0000 Buried
126 V H 0.0000 Buried
127 S H -1.0702 Soluble
128 S H -0.7312 Soluble
129 A H -0.5301 Soluble
130 S H -0.6161 Soluble
131 T H -0.5788 Soluble
132 K H -1.1631 Soluble
133 G H -1.3627 Soluble
134 P H 0.0000 Buried
135 S H -0.2187 Soluble
136 V H 0.0000 Buried
137 F H 0.0000 Buried
138 P H -1.2310 Soluble
139 L H 0.0000 Buried
140 A H -0.8579 Soluble
141 P H 0.0000 Buried
142 S H -0.3874 Soluble
143 G H -0.6503 Soluble
144 T H -0.4810 Soluble
145 A H -0.2816 Soluble
146 A H 0.0000 Buried
147 L H 0.0000 Buried
148 G H 0.0000 Buried
149 C H 0.0000 Buried
150 L H 0.0000 Buried
151 V H 0.0000 Buried
152 K H 0.0000 Buried
153 D H -0.3728 Soluble
154 Y H 0.0000 Buried
155 F H 0.0000 Buried
156 P H 0.0000 Buried
157 E H -0.6032 Soluble
158 P H -0.7450 Soluble
159 V H -0.6766 Soluble
160 T H -0.5797 Soluble
161 V H -0.3822 Soluble
162 S H -0.4314 Soluble
163 W H 0.0000 Buried
164 N H -0.7749 Soluble
165 S H -0.6914 Soluble
166 G H -0.5362 Soluble
167 A H -0.2439 Soluble
168 L H -0.0145 Soluble
169 T H -0.1791 Soluble
170 S H -0.1856 Soluble
171 G H -0.2117 Soluble
172 V H 0.1569 Aggregation-prone
173 H H -0.3254 Soluble
174 T H 0.0181 Aggregation-prone
175 F H 0.0000 Buried
176 P H -0.3825 Soluble
177 A H 0.1914 Aggregation-prone
178 V H 0.5142 Aggregation-prone
179 L H 1.0301 Aggregation-prone
180 Q H 0.1871 Aggregation-prone
181 S H -0.1528 Soluble
182 S H -0.2256 Soluble
183 G H -0.0026 Soluble
184 L H 0.1078 Aggregation-prone
185 Y H 0.3748 Aggregation-prone
186 S H 0.0000 Buried
187 L H 0.0000 Buried
188 S H 0.0000 Buried
189 S H 0.0000 Buried
190 V H 0.0000 Buried
191 V H 0.0000 Buried
192 T H -0.1389 Soluble
193 V H 0.0000 Buried
194 P H -0.5886 Soluble
195 S H -0.5681 Soluble
196 S H -0.6167 Soluble
197 S H -0.5810 Soluble
198 L H -0.8320 Soluble
199 G H -0.9697 Soluble
200 T H -0.6647 Soluble
201 Q H -1.1251 Soluble
202 T H -1.1595 Soluble
203 Y H 0.0000 Buried
204 I H -1.4353 Soluble
205 C H 0.0000 Buried
206 N H -1.5204 Soluble
207 V H 0.0000 Buried
208 N H -2.0036 Soluble
209 H H 0.0000 Buried
210 K H -2.7285 Soluble
211 P H -1.5900 Soluble
212 S H -1.8292 Soluble
213 N H -2.5591 Soluble
214 T H -2.0835 Soluble
215 K H -2.6829 Soluble
216 V H -1.7356 Soluble
217 D H -2.5488 Soluble
218 K H -2.1974 Soluble
219 R H -2.7162 Soluble
220 V H 0.0000 Buried
221 E H -2.5504 Soluble
222 P H -1.2242 Soluble
1 D L -2.1793 Soluble
2 I L 0.0000 Buried
3 Q L -2.1326 Soluble
4 M L 0.0000 Buried
5 T L -1.1780 Soluble
6 Q L 0.0000 Buried
7 S L -0.4633 Soluble
8 P L -0.4094 Soluble
9 S L -0.7338 Soluble
10 S L -0.6752 Soluble
11 L L -0.3810 Soluble
12 S L -0.6474 Soluble
13 A L 0.0000 Buried
14 S L -1.0271 Soluble
15 V L -0.4725 Soluble
16 G L -0.9178 Soluble
17 D L -1.8677 Soluble
18 R L -2.3216 Soluble
19 V L 0.0000 Buried
20 T L -0.6084 Soluble
21 I L 0.0000 Buried
22 T L -0.7980 Soluble
23 C L 0.0000 Buried
24 R L -2.1969 Soluble
25 S L 0.0000 Buried
26 S L -1.7495 Soluble
27 Q L -1.5711 Soluble
28 S L -0.6172 Soluble
29 I L 0.0000 Buried
37 V L 1.6393 Aggregation-prone
38 F L 0.4319 Aggregation-prone
39 L L 0.0000 Buried
40 E L 0.0000 Buried
41 W L 0.0000 Buried
42 Y L 0.0000 Buried
43 Q L 0.0000 Buried
44 Q L 0.0000 Buried
45 K L -1.6852 Soluble
46 P L -1.4939 Soluble
47 G L -1.6773 Soluble
48 K L -2.5694 Soluble
49 A L -1.6533 Soluble
50 P L 0.0000 Buried
51 K L -1.7355 Soluble
52 L L 0.0000 Buried
53 L L 0.0000 Buried
54 I L 0.0000 Buried
55 Y L -0.8120 Soluble
56 K L -1.1691 Soluble
57 V L -0.6521 Soluble
65 S L -1.1455 Soluble
66 N L -1.7063 Soluble
67 R L -1.6538 Soluble
68 F L -0.9495 Soluble
69 S L -0.6696 Soluble
70 G L -0.6443 Soluble
71 V L -0.7263 Soluble
72 P L -0.5220 Soluble
74 S L -0.6440 Soluble
75 R L -0.8307 Soluble
76 F L 0.0000 Buried
77 S L -0.6981 Soluble
78 G L -0.7361 Soluble
79 S L -0.8914 Soluble
80 G L -1.1346 Soluble
83 S L -0.6344 Soluble
84 G L -0.4559 Soluble
85 T L -1.3695 Soluble
86 D L -2.5335 Soluble
87 F L 0.0000 Buried
88 T L -0.7520 Soluble
89 L L 0.0000 Buried
90 T L -0.5790 Soluble
91 I L 0.0000 Buried
92 S L -1.2802 Soluble
93 S L -1.2102 Soluble
94 L L 0.0000 Buried
95 Q L -0.9495 Soluble
96 P L -1.3523 Soluble
97 E L -2.1066 Soluble
98 D L 0.0000 Buried
99 F L -0.6672 Soluble
100 A L 0.0000 Buried
101 T L -0.7848 Soluble
102 Y L 0.0000 Buried
103 Y L 0.0000 Buried
104 C L 0.0000 Buried
105 F L 0.0000 Buried
106 Q L 0.0000 Buried
107 G L 0.0000 Buried
108 S L 0.3069 Aggregation-prone
109 Q L -0.5191 Soluble
114 F L 0.4687 Aggregation-prone
115 P L -0.1622 Soluble
116 Y L -0.1369 Soluble
117 T L -0.6091 Soluble
118 F L 0.0000 Buried
119 G L 0.0000 Buried
120 Q L -1.4763 Soluble
121 G L 0.0000 Buried
122 T L 0.0000 Buried
123 K L -1.3861 Soluble
124 V L 0.0000 Buried
125 E L -1.0075 Soluble
126 I L 0.0000 Buried
127 K L -1.4781 Soluble
128 R L -1.0084 Soluble
129 T L -0.0842 Soluble
130 V L 0.5760 Aggregation-prone
131 A L 0.1352 Aggregation-prone
132 A L -0.0585 Soluble
133 P L 0.0000 Buried
134 S L -0.1509 Soluble
135 V L 0.0000 Buried
136 F L 0.0825 Aggregation-prone
137 I L -0.0032 Soluble
138 F L 0.0000 Buried
139 P L -0.4912 Soluble
140 P L -0.8506 Soluble
141 S L -1.7331 Soluble
142 D L -3.1798 Soluble
143 E L -3.2639 Soluble
144 Q L 0.0000 Buried
145 L L -2.3455 Soluble
146 K L -2.9487 Soluble
147 S L -1.8318 Soluble
148 G L -1.4289 Soluble
149 T L -1.2638 Soluble
150 A L 0.0000 Buried
151 S L 0.0000 Buried
152 V L 0.0000 Buried
153 V L 0.0000 Buried
154 C L 0.0000 Buried
155 L L 0.0000 Buried
156 L L 0.0000 Buried
157 N L 0.0000 Buried
158 N L -0.7732 Soluble
159 F L 0.0000 Buried
160 Y L 0.0000 Buried
161 P L -1.3815 Soluble
162 R L -2.2546 Soluble
163 E L -2.8665 Soluble
164 A L -2.0977 Soluble
165 K L -2.3131 Soluble
166 V L -1.2118 Soluble
167 Q L -0.9159 Soluble
168 W L 0.0000 Buried
169 K L -0.9038 Soluble
170 V L 0.0000 Buried
171 D L -2.0602 Soluble
172 N L -1.7473 Soluble
173 A L -0.5763 Soluble
174 L L 0.0578 Aggregation-prone
175 Q L -0.5922 Soluble
176 S L -0.7801 Soluble
177 G L -1.2178 Soluble
178 N L -1.4709 Soluble
179 S L -1.4991 Soluble
180 Q L -1.5844 Soluble
181 E L -1.9340 Soluble
182 S L -0.9704 Soluble
183 V L -0.6247 Soluble
184 T L -1.0616 Soluble
185 E L -2.1420 Soluble
186 Q L 0.0000 Buried
187 D L -2.0242 Soluble
188 S L -2.0894 Soluble
189 K L -2.4849 Soluble
190 D L -1.7514 Soluble
191 S L -1.8059 Soluble
192 T L 0.0000 Buried
193 Y L 0.0000 Buried
194 S L 0.0000 Buried
195 L L 0.0000 Buried
196 S L 0.0000 Buried
197 S L 0.0000 Buried
198 T L -0.7832 Soluble
199 L L 0.0000 Buried
200 T L -0.6642 Soluble
201 L L -0.9188 Soluble
202 S L -1.1826 Soluble
203 K L -2.1663 Soluble
204 A L -2.0688 Soluble
205 D L -2.9204 Soluble
206 Y L 0.0000 Buried
207 E L -3.7081 Soluble
208 K L -3.7860 Soluble
209 H L -3.2304 Soluble
210 K L -3.2989 Soluble
211 V L -1.4667 Soluble
212 Y L 0.0000 Buried
213 A L 0.0000 Buried
214 C L 0.0000 Buried
215 E L -0.8271 Soluble
216 V L 0.0000 Buried
217 T L -1.1850 Soluble
218 H L 0.0000 Buried
219 Q L -1.6965 Soluble
220 G L -0.4087 Soluble
221 L L -0.2375 Soluble
222 S L -0.4687 Soluble
223 S L -0.4278 Soluble
224 P L -0.6488 Soluble
225 V L -0.0407 Soluble
226 T L -0.5260 Soluble
227 K L -0.7345 Soluble
228 S L -0.5170 Soluble
229 F L -0.9104 Soluble
230 N L -1.8628 Soluble
231 R L -2.6358 Soluble
232 G L -2.3688 Soluble
233 E L -2.5226 Soluble

3D Structure — colored by A4D score

Sequence - click residue to focus in viewer  |  colored by A4D score
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Color Legend (B-factor = A4D Score)
Score > 1.5 — highly aggregation-prone
Score 0.5–1.5 — aggregation-prone
Score ≈ 0 — buried
Score −1 to −0.5 — soluble
Score < −2.5 — highly soluble
pH Structure
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A4D Score Threshold
Highlight residues > threshold in the sequence panel
CDR Regions
HCDR1
HCDR2
HCDR3
LCDR1
LCDR2
LCDR3
Display Options

pH-Dependent Aggregation Profiles

A4D scores calculated across 11 pH conditions (4.0–9.0, step 0.5). Click a row to view the structure at that pH. The input structure is globular — max score is recommended for pH analysis.

pH Avg A4D Score Max A4D Score Downloads
4.0 -0.7257 3.1494 CSV PDB
4.5 -0.7709 3.0891 CSV PDB
5.0 -0.8239 3.0114 CSV PDB
5.5 -0.8744 2.9256 CSV PDB
6.0 -0.9111 2.8368 CSV PDB
6.5 -0.9255 2.7471 CSV PDB
7.0 -0.9174 2.6572 CSV PDB
7.5 -0.8947 2.5678 CSV PDB
8.0 -0.8638 2.4802 CSV PDB
8.5 -0.8269 2.3976 CSV PDB
9.0 -0.7831 2.3277 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH