Ipilimumab / 7su0

A4DAB144_7su0_H_L | Source PDB: 7su0 | Chains: H, L | Done
97.79
Yes
10 Å
Yes
Avg A4D Score
-0.7255
Max Score
1.9557
Min Score
-3.8189
Total Score
-308.32
Score CDR
-0.4861
Score non-CDR
-0.7545

Calculation Parameters

Chain Sequence(s) VQLVESGGGVVQPGRSLRLSCAASGFTFSHYTMHWVRQAPGKGLEWVTFISYDGHNKYYADSVKGRFTISRDNSKNTLYLQMNSLRAEDTAIYYCARTGWLGPFDYWGQGTLVTVSSASTKGPSVFPLAPSSTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPEIVLTQSPGTLSLSPGERATLSCRASQEVGESELAWYQQKPGQAPRLLIYGAFSRATGIPDRFSGSGSGTDFTLTISRLEPEDFAVYYCQQYGSSPWTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGE 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 -3.8189
Maximum Score 1.9557
Average Score -0.7255
Total Score -308.3212

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

Index Residue Chain A4D Score Classification
2 V H 0.6836 Aggregation-prone
3 Q H -0.3938 Soluble
4 L H 0.0000 Buried
5 V H 0.3362 Aggregation-prone
6 E H 0.0000 Buried
7 S H -0.5611 Soluble
8 G H -0.8415 Soluble
9 G H -0.4291 Soluble
11 G H -0.1023 Soluble
12 V H 0.3784 Aggregation-prone
13 V H 0.0000 Buried
14 Q H -1.8804 Soluble
15 P H -2.1102 Soluble
16 G H -2.2073 Soluble
17 R H -2.7742 Soluble
18 S H -2.1250 Soluble
19 L H -1.5286 Soluble
20 R H -2.2273 Soluble
21 L H 0.0000 Buried
22 S H -0.5607 Soluble
23 C H 0.0000 Buried
24 A H -0.2585 Soluble
25 A H 0.0000 Buried
26 S H -0.2383 Soluble
27 G H -0.1740 Soluble
28 F H -0.0222 Soluble
29 T H -0.2905 Soluble
30 F H 0.0000 Buried
35 S H -0.8715 Soluble
36 H H -0.7191 Soluble
37 Y H 0.0299 Aggregation-prone
38 T H 0.0000 Buried
39 M 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 -0.7647 Soluble
45 A H -1.1151 Soluble
46 P H -0.9107 Soluble
47 G H -1.4693 Soluble
48 K H -2.4203 Soluble
49 G H -1.6333 Soluble
50 L H 0.0000 Buried
51 E H -1.2449 Soluble
52 W H 0.0000 Buried
53 V H 0.0000 Buried
54 T H 0.0000 Buried
55 F H 0.1154 Aggregation-prone
56 I H 0.0000 Buried
57 S H -0.8250 Soluble
58 Y H -0.5783 Soluble
59 D H -2.1078 Soluble
62 G H -1.7621 Soluble
63 H H -2.1360 Soluble
64 N H -1.9306 Soluble
65 K H -0.9336 Soluble
66 Y H -0.0771 Soluble
67 Y H -0.5438 Soluble
68 A H 0.0000 Buried
69 D H -2.3566 Soluble
70 S H -1.7503 Soluble
71 V H 0.0000 Buried
72 K H -2.4042 Soluble
74 G H -1.6067 Soluble
75 R H 0.0000 Buried
76 F H 0.0000 Buried
77 T H -0.8166 Soluble
78 I H 0.0000 Buried
79 S H -0.9469 Soluble
80 R H -1.1489 Soluble
81 D H -1.7039 Soluble
82 N H -1.8391 Soluble
83 S H -1.5691 Soluble
84 K H -2.2997 Soluble
85 N H -1.6230 Soluble
86 T H -0.9866 Soluble
87 L H 0.0000 Buried
88 Y H -0.5976 Soluble
89 L H 0.0000 Buried
90 Q H -1.4895 Soluble
91 M H 0.0000 Buried
92 N H -1.7730 Soluble
93 S H -1.7157 Soluble
94 L H 0.0000 Buried
95 R H -2.4707 Soluble
96 A H -1.7067 Soluble
97 E H -2.2113 Soluble
98 D H 0.0000 Buried
99 T H -0.5905 Soluble
100 A H 0.0000 Buried
101 I H 0.4444 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 0.0000 Buried
107 T H 0.5419 Aggregation-prone
108 G H 0.0000 Buried
109 W H 1.7633 Aggregation-prone
110 L H 1.9557 Aggregation-prone
113 G H 0.7934 Aggregation-prone
114 P H 0.0000 Buried
115 F H 0.0000 Buried
116 D H 0.1227 Aggregation-prone
117 Y H 0.1740 Aggregation-prone
118 W H -0.1493 Soluble
119 G H 0.0000 Buried
120 Q H -1.2798 Soluble
121 G H -0.5212 Soluble
122 T H -0.0361 Soluble
123 L H 0.3923 Aggregation-prone
124 V H 0.0000 Buried
125 T H 0.0000 Buried
126 V H 0.0000 Buried
127 S H -0.8526 Soluble
128 S H -0.6606 Soluble
129 A H -0.4417 Soluble
130 S H -0.5318 Soluble
131 T H -0.6651 Soluble
132 K H -1.1206 Soluble
133 G H -1.3873 Soluble
134 P H 0.0000 Buried
135 S H -0.2115 Soluble
136 V H 0.0000 Buried
137 F H -0.4443 Soluble
138 P H -0.8673 Soluble
139 L H 0.0000 Buried
140 A H -0.7865 Soluble
141 P H 0.0000 Buried
142 S H -0.5201 Soluble
143 S H -0.3755 Soluble
144 T H -0.2434 Soluble
145 A H -0.1887 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 -0.3170 Soluble
154 Y H 0.0000 Buried
155 F H 0.0000 Buried
156 P H 0.0000 Buried
157 E H -0.4288 Soluble
158 P H -0.8325 Soluble
159 V H -0.8437 Soluble
160 T H -0.7375 Soluble
161 V H -0.5016 Soluble
162 S H -0.4539 Soluble
163 W H 0.0000 Buried
164 N H -0.6212 Soluble
165 S H -0.6519 Soluble
166 G H -0.5711 Soluble
167 A H -0.2426 Soluble
168 L H -0.0116 Soluble
169 T H -0.1858 Soluble
170 S H -0.3884 Soluble
171 G H -0.3350 Soluble
172 V H 0.1435 Aggregation-prone
173 H H 0.0000 Buried
174 T H -0.1572 Soluble
175 F H 0.0000 Buried
176 P H -0.5081 Soluble
177 A H 0.1838 Aggregation-prone
178 V H 0.5417 Aggregation-prone
179 L H 1.3615 Aggregation-prone
180 Q H 0.3365 Aggregation-prone
181 S H -0.0099 Soluble
182 S H -0.1607 Soluble
183 G H 0.0227 Aggregation-prone
184 L H 0.1827 Aggregation-prone
185 Y H 0.4945 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 -0.1382 Soluble
193 V H 0.0000 Buried
194 P H -0.4393 Soluble
195 S H -0.5460 Soluble
196 S H -0.5237 Soluble
197 S H -0.5777 Soluble
198 L H -0.7678 Soluble
199 G H -0.9650 Soluble
200 T H -0.6736 Soluble
201 Q H -0.9487 Soluble
202 T H -0.8924 Soluble
203 Y H 0.0000 Buried
204 I H -0.8532 Soluble
205 C H 0.0000 Buried
206 N H -1.5017 Soluble
207 V H 0.0000 Buried
208 N H -2.3234 Soluble
209 H H 0.0000 Buried
210 K H -2.8768 Soluble
211 P H -1.6353 Soluble
212 S H -1.8361 Soluble
213 N H -2.6728 Soluble
214 T H -2.1668 Soluble
215 K H -2.7954 Soluble
216 V H -1.5909 Soluble
217 D H -2.4232 Soluble
218 K H -1.7588 Soluble
219 R H -1.8861 Soluble
220 V H 0.0000 Buried
221 E H -2.2339 Soluble
222 P H -1.2317 Soluble
1 E L -1.5138 Soluble
2 I L -0.7153 Soluble
3 V L 0.6821 Aggregation-prone
4 L L 0.0000 Buried
5 T L -0.6772 Soluble
6 Q L 0.0000 Buried
7 S L -0.8585 Soluble
8 P L -0.5192 Soluble
9 G L -0.8302 Soluble
10 T L -0.3602 Soluble
11 L L -0.1586 Soluble
12 S L -0.4080 Soluble
13 L L -0.9305 Soluble
14 S L -1.5691 Soluble
15 P L -2.1832 Soluble
16 G L -2.5954 Soluble
17 E L -2.9915 Soluble
18 R L -3.1803 Soluble
19 A L 0.0000 Buried
20 T L -0.6645 Soluble
21 L L 0.0000 Buried
22 S L -0.8893 Soluble
23 C L 0.0000 Buried
24 R L -2.3274 Soluble
25 A L -1.4755 Soluble
26 S L -1.2905 Soluble
27 Q L -2.5194 Soluble
28 E L -3.2469 Soluble
29 V L 0.0000 Buried
30 G L -2.3896 Soluble
36 E L -2.6874 Soluble
37 S L -1.6282 Soluble
38 E L -1.1709 Soluble
39 L 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 0.0000 Buried
45 K L -1.4181 Soluble
46 P L -1.2713 Soluble
47 G L -1.4304 Soluble
48 Q L -2.1062 Soluble
49 A L -1.3834 Soluble
50 P L 0.0000 Buried
51 R L -1.6876 Soluble
52 L L 0.0000 Buried
53 L L 0.0000 Buried
54 I L 0.0000 Buried
55 Y L 0.5766 Aggregation-prone
56 G L 0.0894 Aggregation-prone
57 A L 0.0000 Buried
65 F L 1.4682 Aggregation-prone
66 S L 0.3986 Aggregation-prone
67 R L -0.9708 Soluble
68 A L -0.6231 Soluble
69 T L -0.5580 Soluble
70 G L -0.7859 Soluble
71 I L -0.9444 Soluble
72 P L -1.2259 Soluble
74 D L -2.1525 Soluble
75 R L -1.9503 Soluble
76 F L 0.0000 Buried
77 S L -0.3710 Soluble
78 G L 0.4501 Aggregation-prone
79 S L -0.0294 Soluble
80 G L -0.7523 Soluble
83 S L -1.5397 Soluble
84 G L -2.3011 Soluble
85 T L -2.3702 Soluble
86 D L -2.5226 Soluble
87 F L 0.0000 Buried
88 T L -0.5457 Soluble
89 L L 0.0000 Buried
90 T L -0.7973 Soluble
91 I L 0.0000 Buried
92 S L -2.4495 Soluble
93 R L -3.5228 Soluble
94 L L 0.0000 Buried
95 E L -2.7775 Soluble
96 P L -2.0431 Soluble
97 E L -2.4214 Soluble
98 D L 0.0000 Buried
99 F L 0.0000 Buried
100 A L 0.0000 Buried
101 V L -0.1138 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 Y L 0.0000 Buried
108 G L -1.0667 Soluble
109 S L -0.9050 Soluble
114 S L -0.4971 Soluble
115 P L -0.7039 Soluble
116 W L -0.1340 Soluble
117 T L 0.0000 Buried
118 F L 0.0508 Aggregation-prone
119 G L 0.0000 Buried
120 Q L -1.5107 Soluble
121 G L -1.0076 Soluble
122 T L 0.0000 Buried
123 K L -0.5283 Soluble
124 V L 0.0000 Buried
125 E L 0.0000 Buried
126 I L -0.6304 Soluble
127 K L -1.1364 Soluble
128 R L -0.8897 Soluble
129 T L 0.0441 Aggregation-prone
130 V L 0.6063 Aggregation-prone
131 A L 0.0398 Aggregation-prone
132 A L -0.1179 Soluble
133 P L 0.0000 Buried
134 S L -0.1918 Soluble
135 V L 0.0000 Buried
136 F L 0.1296 Aggregation-prone
137 I L 0.0566 Aggregation-prone
138 F L 0.0000 Buried
139 P L -0.8579 Soluble
140 P L 0.0000 Buried
141 S L -1.2987 Soluble
142 D L -2.5727 Soluble
143 E L -2.1753 Soluble
144 Q L 0.0000 Buried
145 L L -1.9811 Soluble
146 K L -2.5984 Soluble
147 S L -1.6045 Soluble
148 G L -1.1031 Soluble
149 T L -0.9895 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 -1.0669 Soluble
159 F L 0.0000 Buried
160 Y L 0.0000 Buried
161 P L -1.6538 Soluble
162 R L -2.9632 Soluble
163 E L -3.2113 Soluble
164 A L -2.3156 Soluble
165 K L -2.5476 Soluble
166 V L -1.0073 Soluble
167 Q L -0.4325 Soluble
168 W L 0.0000 Buried
169 K L -0.3475 Soluble
170 V L 0.0000 Buried
171 D L -1.4599 Soluble
172 N L -1.2966 Soluble
173 A L -0.0859 Soluble
174 L L 0.7318 Aggregation-prone
175 Q L -0.2040 Soluble
176 S L -0.5756 Soluble
177 G L -1.1802 Soluble
178 N L -1.3556 Soluble
179 S L -1.4892 Soluble
180 Q L -1.7871 Soluble
181 E L -2.2887 Soluble
182 S L -1.1492 Soluble
183 V L -0.9370 Soluble
184 T L -1.2029 Soluble
185 E L -2.2197 Soluble
186 Q L -1.8158 Soluble
187 D L -1.8651 Soluble
188 S L -1.6946 Soluble
189 K L -2.2484 Soluble
190 D L -1.7420 Soluble
191 S L -1.6477 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 -0.8244 Soluble
199 L L 0.0000 Buried
200 T L -0.6873 Soluble
201 L L -0.9567 Soluble
202 S L -1.2949 Soluble
203 K L -2.2798 Soluble
204 A L -2.1800 Soluble
205 D L -3.1302 Soluble
206 Y L 0.0000 Buried
207 E L -3.7279 Soluble
208 K L -3.8189 Soluble
209 H L -3.2077 Soluble
210 K L -3.0383 Soluble
211 V L -1.2498 Soluble
212 Y L 0.0000 Buried
213 A L 0.0000 Buried
214 C L 0.0000 Buried
215 E L -0.7193 Soluble
216 V L 0.0000 Buried
217 T L -1.1978 Soluble
218 H L 0.0000 Buried
219 Q L -1.7539 Soluble
220 G L -0.3903 Soluble
221 L L -0.1952 Soluble
222 S L -0.4335 Soluble
223 S L -0.3875 Soluble
224 P L -0.6187 Soluble
225 V L -0.0437 Soluble
226 T L -0.4913 Soluble
227 K L -0.7871 Soluble
228 S L -0.6170 Soluble
229 F L 0.0000 Buried
230 N L -2.2254 Soluble
231 R L -2.6712 Soluble
232 G L -2.2610 Soluble
233 E L -2.4418 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
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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 -0.6983 4.0101 CSV PDB
4.5 -0.7469 3.9993 CSV PDB
5.0 -0.8047 3.9916 CSV PDB
5.5 -0.8616 3.9918 CSV PDB
6.0 -0.9061 4.0045 CSV PDB
6.5 -0.9285 4.0253 CSV PDB
7.0 -0.9279 4.0407 CSV PDB
7.5 -0.9115 4.0447 CSV PDB
8.0 -0.886 4.0422 CSV PDB
8.5 -0.8535 4.0393 CSV PDB
9.0 -0.8143 4.0377 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH