Timigutuzumab / 6bi2

A4DAB266_6bi2_H_L | Source PDB: 6bi2 | Chains: H, L | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.7158
Max Score
2.2459
Min Score
-3.2539
Total Score
-308.52
Score CDR
-0.5269
Score non-CDR
-0.7389

Calculation Parameters

Chain Sequence(s) EVQLVESGGGLVQPGGSLRLSCAASGFNIKDTYIHWVRQAPGKGLEWVARIYPTNGYTRYADSVKGRFTISADTSKNTAYLQMNSLRAEDTAVYYCSRWGGDGFYAMDYWGQGTLVTVSSATKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSDIQMTQSPSSLSASVGDRVTITCRASQDVNTAVAWYQQKPGKAPKLLIYSASFLYSGVPSRFSGSRSGTDFTLTISSLQPEDFATYYCQQHYTTPPTFGQGTKVEIKRTVAAPSVFIFPPSDQLKGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKAAYEKHKVYAEVTHQGLSSPVTKSFNRGE 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 -3.2539
Maximum Score 2.2459
Average Score -0.7158
Total Score -308.5196

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

Index Residue Chain A4D Score Classification
1 E H -2.1896 Soluble
2 V H -1.5242 Soluble
3 Q H -1.3342 Soluble
4 L H 0.0000 Buried
5 V H 1.1664 Aggregation-prone
6 E H 0.0000 Buried
7 S H -0.3118 Soluble
8 G H -0.8856 Soluble
9 G H -0.3847 Soluble
11 G H 0.0777 Aggregation-prone
12 L H 0.2170 Aggregation-prone
13 V H -0.5193 Soluble
14 Q H -1.5374 Soluble
15 P H -1.7776 Soluble
16 G H -1.5073 Soluble
17 G H -1.1600 Soluble
18 S H -1.0920 Soluble
19 L H -1.0551 Soluble
20 R H -2.0145 Soluble
21 L H 0.0000 Buried
22 S H -0.3762 Soluble
23 C H 0.0000 Buried
24 A H 0.0126 Aggregation-prone
25 A H -0.4570 Soluble
26 S H -0.9281 Soluble
27 G H -1.3959 Soluble
28 F H -1.1944 Soluble
29 N H -1.7024 Soluble
30 I H 0.0000 Buried
35 K H -2.2996 Soluble
36 D H -2.6298 Soluble
37 T H 0.0000 Buried
38 Y H -0.1028 Soluble
39 I H 0.0000 Buried
40 H 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 -0.7800 Soluble
45 A H -1.1578 Soluble
46 P H -0.9362 Soluble
47 G H -1.4807 Soluble
48 K H -2.3984 Soluble
49 G H -1.6552 Soluble
50 L H 0.0000 Buried
51 E H -1.1222 Soluble
52 W H 0.0000 Buried
53 V H 0.0000 Buried
54 A H 0.0000 Buried
55 R H -0.5796 Soluble
56 I H 0.0000 Buried
57 Y H -0.3112 Soluble
58 P H -0.8927 Soluble
59 T H -1.0914 Soluble
62 N H -0.8525 Soluble
63 G H -0.2671 Soluble
64 Y H 0.5428 Aggregation-prone
65 T H -0.4368 Soluble
66 R H -1.9862 Soluble
67 Y H -1.8610 Soluble
68 A H -1.8416 Soluble
69 D H -2.6809 Soluble
70 S H -1.7107 Soluble
71 V H 0.0000 Buried
72 K H -2.8473 Soluble
74 G H -1.7097 Soluble
75 R H -1.3987 Soluble
76 F H 0.0000 Buried
77 T H -1.0792 Soluble
78 I H 0.0000 Buried
79 S H -0.1941 Soluble
80 A H -0.9327 Soluble
81 D H -1.5331 Soluble
82 T H -1.5183 Soluble
83 S H -1.5103 Soluble
84 K H -2.1826 Soluble
85 N H -1.5924 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 -1.2281 Soluble
91 M H 0.0000 Buried
92 N H -1.3535 Soluble
93 S H -1.2736 Soluble
94 L H 0.0000 Buried
95 R H -2.5156 Soluble
96 A H -1.8156 Soluble
97 E H -2.3269 Soluble
98 D H 0.0000 Buried
99 T H -0.6556 Soluble
100 A H 0.0000 Buried
101 V H 0.3704 Aggregation-prone
102 Y H 0.0000 Buried
103 Y H 0.0000 Buried
104 C H 0.0000 Buried
105 S H 0.0000 Buried
106 R H 0.0068 Aggregation-prone
107 W H 0.0000 Buried
108 G H -0.5648 Soluble
109 G H -1.2053 Soluble
110 D H -2.1184 Soluble
111 G H -1.0308 Soluble
112 F H -0.1477 Soluble
113 Y H 0.6026 Aggregation-prone
114 A H 0.0000 Buried
115 M H 0.0000 Buried
116 D H -0.1455 Soluble
117 Y H -0.4060 Soluble
118 W H -0.2564 Soluble
119 G H 0.0000 Buried
120 Q H -1.2444 Soluble
121 G H 0.0000 Buried
122 T H 0.1416 Aggregation-prone
123 L H 0.3497 Aggregation-prone
124 V H 0.0000 Buried
125 T H -0.3472 Soluble
126 V H 0.0000 Buried
127 S H -0.8659 Soluble
128 S H -0.6010 Soluble
129 A H -0.3052 Soluble
131 T H -0.6490 Soluble
132 K H -1.1477 Soluble
133 G H -1.4056 Soluble
134 P H 0.0000 Buried
135 S H -0.2524 Soluble
136 V H 0.0000 Buried
137 F H -0.3399 Soluble
138 P H -1.0521 Soluble
139 L H 0.0000 Buried
140 A H -1.1770 Soluble
141 P H 0.0000 Buried
142 S H -1.1973 Soluble
143 S H -1.4558 Soluble
144 K H -1.8968 Soluble
145 S H -1.1799 Soluble
146 T H -0.9595 Soluble
147 S H -0.9169 Soluble
148 G H -0.8181 Soluble
149 G H -0.6390 Soluble
150 T H -0.4697 Soluble
151 A H 0.0000 Buried
152 A H 0.0000 Buried
153 L H 0.0000 Buried
154 G H 0.0000 Buried
155 C H 0.0000 Buried
156 L H 0.0000 Buried
157 V H 0.0000 Buried
158 K H 0.0000 Buried
159 D H -0.3566 Soluble
160 Y H 0.0000 Buried
161 F H 0.0000 Buried
162 P H 0.0000 Buried
163 E H -0.5160 Soluble
164 P H -0.8362 Soluble
165 V H -0.8760 Soluble
166 T H -0.7794 Soluble
167 V H -0.3402 Soluble
168 S H -0.5055 Soluble
169 W H 0.0000 Buried
170 N H -0.7899 Soluble
171 S H -0.6785 Soluble
172 G H -0.5808 Soluble
173 A H -0.2517 Soluble
174 L H -0.0217 Soluble
175 T H -0.1867 Soluble
176 S H -0.1916 Soluble
177 G H -0.2341 Soluble
178 V H 0.1681 Aggregation-prone
179 H H -0.3022 Soluble
180 T H -0.1539 Soluble
181 F H 0.0000 Buried
182 P H -0.2435 Soluble
183 A H 0.2722 Aggregation-prone
184 V H 0.6222 Aggregation-prone
185 L H 1.2316 Aggregation-prone
186 Q H 0.3248 Aggregation-prone
187 S H -0.1474 Soluble
188 S H -0.1927 Soluble
189 G H 0.0819 Aggregation-prone
190 L H 0.2120 Aggregation-prone
191 Y H 0.5068 Aggregation-prone
192 S H 0.0000 Buried
193 L H 0.0000 Buried
194 S H 0.0000 Buried
195 S H 0.0000 Buried
196 V H 0.0000 Buried
197 V H 0.0000 Buried
198 T H -0.1221 Soluble
199 V H 0.0000 Buried
200 P H -0.6106 Soluble
201 S H -0.7707 Soluble
202 S H -0.7000 Soluble
203 S H -0.6319 Soluble
204 L H -0.8255 Soluble
205 G H -1.2847 Soluble
206 T H -0.9343 Soluble
207 Q H -1.2721 Soluble
208 T H -1.1598 Soluble
209 Y H 0.0000 Buried
210 I H -1.4074 Soluble
211 C H 0.0000 Buried
212 N H -1.7236 Soluble
213 V H 0.0000 Buried
214 N H -2.5133 Soluble
215 H H 0.0000 Buried
216 K H -2.9033 Soluble
217 P H -1.6540 Soluble
218 S H -1.8712 Soluble
219 N H -2.6944 Soluble
220 T H -2.2380 Soluble
221 K H -2.9729 Soluble
222 V H -1.8576 Soluble
223 D H -2.7860 Soluble
224 K H -2.4534 Soluble
225 K H -2.6630 Soluble
226 V H 0.0000 Buried
227 E H -2.9919 Soluble
228 P H -2.0439 Soluble
229 K H -2.6506 Soluble
230 S H -1.3491 Soluble
1 D L -2.2677 Soluble
2 I L 0.0000 Buried
3 Q L -2.3189 Soluble
4 M L 0.0000 Buried
5 T L -1.4093 Soluble
6 Q L 0.0000 Buried
7 S L -0.7838 Soluble
8 P L -0.6460 Soluble
9 S L -0.8691 Soluble
10 S L -0.7649 Soluble
11 L L -0.5050 Soluble
12 S L -0.7226 Soluble
13 A L -1.0237 Soluble
14 S L -0.8886 Soluble
15 V L 0.0480 Aggregation-prone
16 G L -0.5396 Soluble
17 D L -1.8144 Soluble
18 R L -2.3037 Soluble
19 V L 0.0000 Buried
20 T L -0.6522 Soluble
21 I L 0.0000 Buried
22 T L -0.7708 Soluble
23 C L 0.0000 Buried
24 R L -2.8669 Soluble
25 A L 0.0000 Buried
26 S L -2.2786 Soluble
27 Q L -2.8381 Soluble
28 D L -2.6728 Soluble
29 V L 0.0000 Buried
36 N L -1.6506 Soluble
37 T L -0.8128 Soluble
38 A L 0.0807 Aggregation-prone
39 V L 0.0000 Buried
40 A 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 -1.2719 Soluble
45 K L -1.8264 Soluble
46 P L -1.3968 Soluble
47 G L -1.6479 Soluble
48 K L -2.5831 Soluble
49 A L -1.6319 Soluble
50 P L 0.0000 Buried
51 K L -1.4179 Soluble
52 L L 0.0000 Buried
53 L L 0.0000 Buried
54 I L 0.0000 Buried
55 Y L 1.2279 Aggregation-prone
56 S L 0.5624 Aggregation-prone
57 A L 0.0000 Buried
65 S L 0.7481 Aggregation-prone
66 F L 2.2459 Aggregation-prone
67 L L 1.5614 Aggregation-prone
68 Y L 0.6909 Aggregation-prone
69 S L -0.0018 Soluble
70 G L -0.4617 Soluble
71 V L 0.0000 Buried
72 P L -0.3250 Soluble
74 S L -0.3681 Soluble
75 R L -0.7145 Soluble
76 F L 0.0000 Buried
77 S L 0.1711 Aggregation-prone
78 G L 0.1265 Aggregation-prone
79 S L -0.5941 Soluble
80 R L -1.5529 Soluble
83 S L -1.3326 Soluble
84 G L -1.8343 Soluble
85 T L -2.2484 Soluble
86 D L -1.9785 Soluble
87 F L 0.0000 Buried
88 T L -0.7739 Soluble
89 L L 0.0000 Buried
90 T L -0.6269 Soluble
91 I L 0.0000 Buried
92 S L -1.3372 Soluble
93 S L -1.0371 Soluble
94 L L 0.0000 Buried
95 Q L -0.6119 Soluble
96 P L -1.4159 Soluble
97 E L -1.8636 Soluble
98 D L 0.0000 Buried
99 F L -1.0685 Soluble
100 A L 0.0000 Buried
101 T L -0.8301 Soluble
102 Y L 0.0000 Buried
103 Y L 0.0000 Buried
104 C L 0.0000 Buried
105 Q L 0.0000 Buried
106 Q L 0.0000 Buried
107 H L 0.5480 Aggregation-prone
108 Y L 0.8376 Aggregation-prone
109 T L 0.1823 Aggregation-prone
114 T L -0.5085 Soluble
115 P L -0.9148 Soluble
116 P L 0.0000 Buried
117 T L -0.6819 Soluble
118 F L -0.5154 Soluble
119 G L 0.0000 Buried
120 Q L -1.8421 Soluble
121 G L 0.0000 Buried
122 T L 0.0000 Buried
123 K L -1.3800 Soluble
124 V L 0.0000 Buried
125 E L -1.0947 Soluble
126 I L 0.0000 Buried
127 K L -1.5283 Soluble
128 R L -1.0638 Soluble
129 T L -0.2316 Soluble
130 V L 0.1465 Aggregation-prone
131 A L -0.1566 Soluble
132 A L -0.1974 Soluble
133 P L 0.0000 Buried
134 S L -0.1925 Soluble
135 V L 0.0000 Buried
136 F L 0.0943 Aggregation-prone
137 I L 0.0961 Aggregation-prone
138 F L 0.0000 Buried
139 P L -0.4418 Soluble
140 P L 0.0000 Buried
141 S L -1.3042 Soluble
142 D L -2.3570 Soluble
144 Q L -1.3287 Soluble
145 L L -1.9139 Soluble
146 K L -2.3480 Soluble
148 G L -1.2363 Soluble
149 T L -0.7918 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 -1.0734 Soluble
159 F L 0.0000 Buried
160 Y L 0.0000 Buried
161 P L -1.9164 Soluble
162 R L -2.9376 Soluble
163 E L -3.2539 Soluble
164 A L -2.3921 Soluble
165 K L -2.1503 Soluble
166 V L -1.0741 Soluble
167 Q L -0.7429 Soluble
168 W L 0.0000 Buried
169 K L -0.6592 Soluble
170 V L 0.0000 Buried
171 D L -1.5580 Soluble
172 N L -1.4794 Soluble
173 A L -0.3569 Soluble
174 L L 0.4454 Aggregation-prone
175 Q L -0.4352 Soluble
176 S L -0.6906 Soluble
177 G L -1.2158 Soluble
178 N L -1.4842 Soluble
179 S L -1.3722 Soluble
180 Q L -1.3437 Soluble
181 E L -1.5081 Soluble
182 S L -0.7747 Soluble
183 V L -0.6749 Soluble
184 T L -1.0434 Soluble
185 E L -1.9789 Soluble
186 Q L 0.0000 Buried
187 D L -2.1511 Soluble
188 S L -2.1484 Soluble
189 K L -2.6320 Soluble
190 D L -2.1593 Soluble
191 S L 0.0000 Buried
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 -0.6709 Soluble
199 L L 0.0000 Buried
200 T L -0.5042 Soluble
201 L L -0.5195 Soluble
202 S L -0.7372 Soluble
203 K L -1.7833 Soluble
204 A L -1.4288 Soluble
205 A L -1.4187 Soluble
206 Y L 0.0000 Buried
207 E L -3.2104 Soluble
208 K L -3.1438 Soluble
209 H L -2.5702 Soluble
210 K L -2.7082 Soluble
211 V L -1.0026 Soluble
212 Y L 0.0000 Buried
213 A L -0.7350 Soluble
215 E L -0.8698 Soluble
216 V L 0.0000 Buried
217 T L -1.2174 Soluble
218 H L 0.0000 Buried
219 Q L -1.5763 Soluble
220 G L -0.4817 Soluble
221 L L -0.2843 Soluble
222 S L -0.4819 Soluble
223 S L -0.4499 Soluble
224 P L -0.5657 Soluble
225 V L -0.0336 Soluble
226 T L -0.4892 Soluble
227 K L -0.6792 Soluble
228 S L -0.4953 Soluble
229 F L -0.9847 Soluble
230 N L -1.7363 Soluble
231 R L -2.3612 Soluble
232 G L -2.1036 Soluble
233 E L -2.4538 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
Load structure at specific pH condition
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 -0.7635 3.841 CSV PDB
4.5 -0.8043 3.841 CSV PDB
5.0 -0.8516 3.841 CSV PDB
5.5 -0.8959 3.841 CSV PDB
6.0 -0.926 3.841 CSV PDB
6.5 -0.9331 3.841 CSV PDB
7.0 -0.9172 3.841 CSV PDB
7.5 -0.8858 3.841 CSV PDB
8.0 -0.8457 3.841 CSV PDB
8.5 -0.7987 3.8409 CSV PDB
9.0 -0.7452 3.8406 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH