Toripalimab / 6jbt

A4DAB273_6jbt_H_L | Source PDB: 6jbt | Chains: H, L | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.6628
Max Score
1.7768
Min Score
-3.4999
Total Score
-288.3
Score CDR
-0.299
Score non-CDR
-0.7176

Calculation Parameters

Chain Sequence(s) QGQLVQSGAEVKKPGASVKVSCKASGYTFTDYEMHWVRQAPIHGLEWIGVIESETGGTAYNQKFKGRVTITADKSTSTAYMELSSLRSEDTAVYYCAREGITTVATTYYWYFDVWGQGTTVTVSSASTKGPSVFPLAPCSTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTKTYTCNVDHKPSNTKVDKRVDVVMTQSPLSLPVTLGQPASISCRSSQSIVHSNGNTYLEWYLQKPGQSPQLLIYKVSNRFSGVPDRFSGSGSGTDFTLKISRVEAEDVGVYYCFQGSHVPLTFGQGTKLEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGE 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 -3.4999
Maximum Score 1.7768
Average Score -0.6628
Total Score -288.2964

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

Index Residue Chain A4D Score Classification
1 Q H -1.6498 Soluble
2 G H -1.5993 Soluble
3 Q H -1.7529 Soluble
4 L H 0.0000 Buried
5 V H 0.0016 Aggregation-prone
6 Q H 0.0000 Buried
7 S H -0.5744 Soluble
8 G H -0.5719 Soluble
9 A H -0.3214 Soluble
11 E H -0.5437 Soluble
12 V H -0.3194 Soluble
13 K H -1.4702 Soluble
14 K H -2.3308 Soluble
15 P H -2.0130 Soluble
16 G H -1.5706 Soluble
17 A H -1.1426 Soluble
18 S H -1.2621 Soluble
19 V H 0.0000 Buried
20 K H -1.9634 Soluble
21 V H 0.0000 Buried
22 S H 0.0000 Buried
23 C H 0.0000 Buried
24 K H -1.0443 Soluble
25 A H 0.0000 Buried
26 S H -1.1170 Soluble
27 G H -1.1800 Soluble
28 Y H -0.9524 Soluble
29 T H -0.8398 Soluble
30 F H 0.0000 Buried
35 T H -1.5222 Soluble
36 D H -1.9162 Soluble
37 Y H -1.0763 Soluble
38 E H -0.9655 Soluble
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 0.0691 Aggregation-prone
45 A H 0.0000 Buried
46 P H 0.3110 Aggregation-prone
47 I H 1.4226 Aggregation-prone
48 H H 0.0543 Aggregation-prone
49 G H -0.2440 Soluble
50 L H 0.0000 Buried
51 E H 0.0000 Buried
52 W H 0.0000 Buried
53 I H 0.0000 Buried
54 G H 0.0000 Buried
55 V H -0.0402 Soluble
56 I H 0.0000 Buried
57 E H -1.4336 Soluble
58 S H 0.0000 Buried
59 E H -2.6340 Soluble
62 T H -1.3766 Soluble
63 G H -1.4917 Soluble
64 G H -0.9825 Soluble
65 T H -0.3185 Soluble
66 A H -0.1533 Soluble
67 Y H -0.8250 Soluble
68 N H -1.3676 Soluble
69 Q H -2.5144 Soluble
70 K H -2.8755 Soluble
71 F H 0.0000 Buried
72 K H -2.8954 Soluble
74 G H -1.8751 Soluble
75 R H -1.3531 Soluble
76 V H 0.0000 Buried
77 T H -0.7743 Soluble
78 I H 0.0000 Buried
79 T H -0.4316 Soluble
80 A H -1.1633 Soluble
81 D H -1.6721 Soluble
82 K H -1.7101 Soluble
83 S H -0.8543 Soluble
84 T H -0.8664 Soluble
85 S H -0.9674 Soluble
86 T H 0.0000 Buried
87 A H 0.0000 Buried
88 Y H -0.4279 Soluble
89 M H 0.0000 Buried
90 E H -1.3476 Soluble
91 L H 0.0000 Buried
92 S H -1.0244 Soluble
93 S H -1.0844 Soluble
94 L H 0.0000 Buried
95 R H -2.3684 Soluble
96 S H -1.9321 Soluble
97 E H -1.6513 Soluble
98 D H 0.0000 Buried
99 T H -0.5349 Soluble
100 A H 0.0000 Buried
101 V H 0.2289 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 E H -0.3309 Soluble
108 G H 0.0000 Buried
109 I H 0.0216 Aggregation-prone
110 T H 0.3699 Aggregation-prone
111 T H 0.6980 Aggregation-prone
111A V H 1.7768 Aggregation-prone
111B A H 0.8556 Aggregation-prone
112C T H 0.3740 Aggregation-prone
112B T H 0.5998 Aggregation-prone
112A Y H 0.5985 Aggregation-prone
112 Y H 0.7180 Aggregation-prone
113 W H 0.5558 Aggregation-prone
114 Y H 0.3186 Aggregation-prone
115 F H 0.0000 Buried
116 D H -0.5065 Soluble
117 V H -0.8114 Soluble
118 W H 0.0000 Buried
119 G H 0.0000 Buried
120 Q H -1.3815 Soluble
121 G H -0.6079 Soluble
122 T H 0.0000 Buried
123 T H -0.1761 Soluble
124 V H 0.0000 Buried
125 T H -0.6962 Soluble
126 V H 0.0000 Buried
127 S H -1.2543 Soluble
128 S H -1.1172 Soluble
129 A H -0.7734 Soluble
130 S H -0.9304 Soluble
131 T H -1.0567 Soluble
132 K H -2.0408 Soluble
133 G H 0.0000 Buried
134 P H 0.0000 Buried
135 S H -0.4356 Soluble
136 V H -0.3400 Soluble
137 F H 0.0000 Buried
138 P H -0.6581 Soluble
139 L H 0.0000 Buried
140 A H 0.2850 Aggregation-prone
141 P H 0.2097 Aggregation-prone
142 C H 0.0640 Aggregation-prone
143 S H -0.3894 Soluble
144 T H -0.2616 Soluble
145 A H -0.0538 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 -0.6793 Soluble
154 Y H 0.0000 Buried
155 F H 0.0000 Buried
156 P H 0.0000 Buried
157 E H -0.8998 Soluble
158 P H -1.0100 Soluble
159 V H -0.8074 Soluble
160 T H -0.6153 Soluble
161 V H -0.3445 Soluble
162 S H -0.4716 Soluble
163 W H 0.0000 Buried
164 N H -1.0879 Soluble
165 S H -0.7982 Soluble
166 G H -0.5619 Soluble
167 A H -0.2610 Soluble
168 L H -0.0603 Soluble
169 T H -0.1606 Soluble
170 S H -0.1540 Soluble
171 G H -0.1547 Soluble
172 V H 0.2238 Aggregation-prone
173 H H -0.0214 Soluble
174 T H 0.0255 Aggregation-prone
175 F H 0.0000 Buried
176 P H -0.3494 Soluble
177 A H 0.1036 Aggregation-prone
178 V H 0.4243 Aggregation-prone
179 L H 0.8786 Aggregation-prone
180 Q H 0.1321 Aggregation-prone
181 S H -0.1014 Soluble
182 S H -0.2374 Soluble
183 G H -0.0345 Soluble
184 L H -0.1243 Soluble
185 Y H 0.1001 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 -0.1062 Soluble
193 V H 0.0000 Buried
194 P H -0.2437 Soluble
195 S H -0.2250 Soluble
196 S H -0.3895 Soluble
197 S H 0.0000 Buried
198 L H 0.1966 Aggregation-prone
199 G H -0.5388 Soluble
200 T H -0.7871 Soluble
201 K H -1.4287 Soluble
202 T H -1.0336 Soluble
203 Y H 0.0000 Buried
204 T H -1.5456 Soluble
205 C H 0.0000 Buried
206 N H -1.5527 Soluble
207 V H 0.0000 Buried
208 D H -1.8595 Soluble
209 H H 0.0000 Buried
210 K H -2.7887 Soluble
211 P H -1.8722 Soluble
212 S H -2.0610 Soluble
213 N H -2.6667 Soluble
214 T H -2.1443 Soluble
215 K H -2.6154 Soluble
216 V H -1.5663 Soluble
217 D H -2.6710 Soluble
218 K H -2.0284 Soluble
219 R H -2.1086 Soluble
220 V H -0.1685 Soluble
1 D L -1.1673 Soluble
2 V L 0.0000 Buried
3 V L 0.6357 Aggregation-prone
4 M L 0.0000 Buried
5 T L -0.6262 Soluble
6 Q L 0.0000 Buried
7 S L -0.3883 Soluble
8 P L 0.1513 Aggregation-prone
9 L L 0.5741 Aggregation-prone
10 S L 0.0755 Aggregation-prone
11 L L -0.0898 Soluble
12 P L -0.6641 Soluble
13 V L 0.0000 Buried
14 T L -0.9466 Soluble
15 L L -0.5262 Soluble
16 G L -1.1900 Soluble
17 Q L -1.5986 Soluble
18 P L -1.8441 Soluble
19 A L 0.0000 Buried
20 S L -0.9193 Soluble
21 I L 0.0000 Buried
22 S L -1.0763 Soluble
23 C L 0.0000 Buried
24 R L -2.3596 Soluble
25 S L 0.0000 Buried
26 S L -0.8970 Soluble
27 Q L -1.2680 Soluble
28 S L -0.7928 Soluble
29 I L 0.0000 Buried
30 V L 0.4513 Aggregation-prone
31 H L -0.5066 Soluble
32 S L -0.9170 Soluble
34 N L -1.5827 Soluble
35 G L -1.0266 Soluble
36 N L -0.6009 Soluble
37 T L -0.0299 Soluble
38 Y L 0.2960 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 L L -0.5252 Soluble
44 Q L -1.0807 Soluble
45 K L -1.7932 Soluble
46 P L -1.5456 Soluble
47 G L -1.4891 Soluble
48 Q L -2.1416 Soluble
49 S L -1.4807 Soluble
50 P L 0.0000 Buried
51 Q L -1.1649 Soluble
52 L L 0.0000 Buried
53 L L 0.0000 Buried
54 I L 0.0000 Buried
55 Y L -0.0769 Soluble
56 K L -0.2901 Soluble
57 V L -0.4310 Soluble
65 S L -0.7333 Soluble
66 N L -0.9653 Soluble
67 R L -1.5294 Soluble
68 F L -0.6326 Soluble
69 S L -0.6183 Soluble
70 G L -0.8827 Soluble
71 V L 0.0000 Buried
72 P L -1.3291 Soluble
74 D L -2.4249 Soluble
75 R L -2.3130 Soluble
76 F L 0.0000 Buried
77 S L -1.5144 Soluble
78 G L 0.0000 Buried
79 S L -0.9433 Soluble
80 G L -1.1082 Soluble
83 S L -0.8054 Soluble
84 G L -1.1626 Soluble
85 T L -1.6628 Soluble
86 D L -2.3609 Soluble
87 F L 0.0000 Buried
88 T L -1.2199 Soluble
89 L L 0.0000 Buried
90 K L -2.2233 Soluble
91 I L 0.0000 Buried
92 S L -2.3559 Soluble
93 R L -2.9668 Soluble
94 V L 0.0000 Buried
95 E L -2.0120 Soluble
96 A L -1.3422 Soluble
97 E L -2.2028 Soluble
98 D L 0.0000 Buried
99 V L -0.7874 Soluble
100 G L 0.0000 Buried
101 V L -0.1767 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 0.0000 Buried
109 H L 0.3981 Aggregation-prone
114 V L 1.1443 Aggregation-prone
115 P L 0.1247 Aggregation-prone
116 L L 0.0000 Buried
117 T L 0.1754 Aggregation-prone
118 F L 0.0000 Buried
119 G L 0.0000 Buried
120 Q L -0.8707 Soluble
121 G L 0.0000 Buried
122 T L 0.0000 Buried
123 K L -0.4992 Soluble
124 L L 0.0000 Buried
125 E L -0.7130 Soluble
126 I L -0.9923 Soluble
127 K L -1.3384 Soluble
128 R L -0.9887 Soluble
129 T L -0.1401 Soluble
130 V L 0.2066 Aggregation-prone
131 A L -0.0884 Soluble
132 A L -0.1292 Soluble
133 P L 0.0000 Buried
134 S L -0.1519 Soluble
135 V L 0.0000 Buried
136 F L -0.0318 Soluble
137 I L 0.0000 Buried
138 F L 0.0000 Buried
139 P L -0.3104 Soluble
140 P L 0.0000 Buried
141 S L -1.4681 Soluble
142 D L -2.8211 Soluble
143 E L -2.7696 Soluble
144 Q L 0.0000 Buried
145 L L -2.1650 Soluble
146 K L -2.7665 Soluble
147 S L -1.7760 Soluble
148 G L -1.3245 Soluble
149 T L -1.0581 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 -0.9223 Soluble
159 F L 0.0000 Buried
160 Y L 0.0000 Buried
161 P L -1.8250 Soluble
162 R L -3.0219 Soluble
163 E L -3.2226 Soluble
164 A L -2.3492 Soluble
165 K L -2.5618 Soluble
166 V L -1.2963 Soluble
167 Q L -1.1236 Soluble
168 W L 0.0000 Buried
169 K L -0.9389 Soluble
170 V L 0.0000 Buried
171 D L -1.9125 Soluble
172 N L -1.5343 Soluble
173 A L -0.5240 Soluble
174 L L 0.1623 Aggregation-prone
175 Q L -0.3890 Soluble
176 S L -0.5562 Soluble
177 G L -0.8958 Soluble
178 N L -0.7898 Soluble
179 S L -1.1461 Soluble
180 Q L -1.3972 Soluble
181 E L -1.5582 Soluble
182 S L -0.7719 Soluble
183 V L -0.5950 Soluble
184 T L -1.1421 Soluble
185 E L -2.2617 Soluble
186 Q L -2.0274 Soluble
187 D L -2.1407 Soluble
188 S L -2.0524 Soluble
189 K L -2.4579 Soluble
190 D L -2.1196 Soluble
191 S L -1.9464 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 -0.6716 Soluble
199 L L 0.0000 Buried
200 T L -0.3599 Soluble
201 L L -0.6941 Soluble
202 S L -1.0867 Soluble
203 K L -2.1247 Soluble
204 A L -1.8751 Soluble
205 D L -2.5042 Soluble
206 Y L 0.0000 Buried
207 E L -3.4557 Soluble
208 K L -3.4999 Soluble
209 H L -2.9713 Soluble
210 K L -3.1199 Soluble
211 V L -1.4992 Soluble
212 Y L 0.0000 Buried
213 A L -0.8317 Soluble
214 C L 0.0000 Buried
215 E L -0.9421 Soluble
216 V L 0.0000 Buried
217 T L -1.2882 Soluble
218 H L 0.0000 Buried
219 Q L -1.7657 Soluble
220 G L -0.4463 Soluble
221 L L -0.2431 Soluble
222 S L -0.4703 Soluble
223 S L -0.4094 Soluble
224 P L -0.5169 Soluble
225 V L 0.0363 Aggregation-prone
226 T L -0.5480 Soluble
227 K L -0.8049 Soluble
228 S L -0.6152 Soluble
229 F L 0.0000 Buried
230 N L -1.7433 Soluble
231 R L -2.3286 Soluble
232 G L -1.9896 Soluble
233 E L -2.2985 Soluble

3D Structure — colored by A4D score

Sequence - click residue to focus in viewer  |  colored by A4D score
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Downloads
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 -0.702 3.0493 CSV PDB
4.5 -0.7449 3.0259 CSV PDB
5.0 -0.7947 3.0071 CSV PDB
5.5 -0.8411 3.0038 CSV PDB
6.0 -0.8721 3.008 CSV PDB
6.5 -0.879 3.0074 CSV PDB
7.0 -0.8626 3.0038 CSV PDB
7.5 -0.8308 3.0014 CSV PDB
8.0 -0.7902 3.0004 CSV PDB
8.5 -0.743 3.0001 CSV PDB
9.0 -0.6892 3.0 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH