Sasanlimab / 6xkr

A4DAB235_6xkr_H_L | Source PDB: 6xkr | Chains: H, L | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.6796
Max Score
1.9694
Min Score
-3.7017
Total Score
-295.62
Score CDR
-0.0496
Score non-CDR
-0.7614

Calculation Parameters

Chain Sequence(s) QVQLVQSGAEVKKPGASVKVSCKASGYTFTSYWINWVRQAPGQGLEWMGNIYPGSSLTNYNEKFKNRVTMTRDTSTSTVYMELSSLRSEDTAVYYCARLSTGTFAYWGQGTLVTVSSASTKGPSVFPLAPSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKDIVMTQSPDSLAVSLGERATINCKSSQSLWDSGNQKNFLTWYQQKPGQPPKLLIYWTSYRESGVPDRFSGSGSGTDFTLTISSLQAEDVAVYYCQNDYFYPHTFGGGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC 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 -3.7017
Maximum Score 1.9694
Average Score -0.6796
Total Score -295.617

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

Index Residue Chain A4D Score Classification
1 Q H -1.4182 Soluble
2 V H -0.7890 Soluble
3 Q H -1.0816 Soluble
4 L H 0.0000 Buried
5 V H -0.2922 Soluble
6 Q H 0.0000 Buried
7 S H -0.6744 Soluble
8 G H -0.5476 Soluble
9 A H -0.1524 Soluble
11 E H -0.7726 Soluble
12 V H -0.2495 Soluble
13 K H -1.5452 Soluble
14 K H -2.3824 Soluble
15 P H -2.1623 Soluble
16 G H -1.6274 Soluble
17 A H -1.2193 Soluble
18 S H -1.4709 Soluble
19 V H 0.0000 Buried
20 K H -2.1292 Soluble
21 V H 0.0000 Buried
22 S H -0.7842 Soluble
23 C H 0.0000 Buried
24 K H -1.4374 Soluble
25 A H 0.0000 Buried
26 S H -0.9853 Soluble
27 G H -0.9448 Soluble
28 Y H -0.2957 Soluble
29 T H -0.0892 Soluble
30 F H 0.0000 Buried
35 T H -0.2309 Soluble
36 S H 0.0495 Aggregation-prone
37 Y H 0.4311 Aggregation-prone
38 W H 0.6234 Aggregation-prone
39 I 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 -0.3358 Soluble
44 Q H -0.6274 Soluble
45 A H -0.9838 Soluble
46 P H -1.1034 Soluble
47 G H -1.2354 Soluble
48 Q H -1.7530 Soluble
49 G H -1.0879 Soluble
50 L H 0.0000 Buried
51 E H -0.7425 Soluble
52 W H 0.0000 Buried
53 M H 0.0000 Buried
54 G H 0.0000 Buried
55 N H 0.0000 Buried
56 I H 0.0000 Buried
57 Y H 0.5291 Aggregation-prone
58 P H 0.0000 Buried
59 G H -0.2773 Soluble
62 S H -0.0675 Soluble
63 S H 0.1104 Aggregation-prone
64 L H 1.0411 Aggregation-prone
65 T H 0.5641 Aggregation-prone
66 N H 0.1190 Aggregation-prone
67 Y H -0.6158 Soluble
68 N H 0.0000 Buried
69 E H -3.4706 Soluble
70 K H -3.2477 Soluble
71 F H 0.0000 Buried
72 K H -3.4590 Soluble
74 N H -2.7257 Soluble
75 R H -2.0753 Soluble
76 V H 0.0000 Buried
77 T H -0.9533 Soluble
78 M H 0.0000 Buried
79 T H -0.3426 Soluble
80 R H -1.0311 Soluble
81 D H -1.2313 Soluble
82 T H -0.7304 Soluble
83 S H -0.5657 Soluble
84 T H -0.7698 Soluble
85 S H -0.9282 Soluble
86 T H 0.0000 Buried
87 V H 0.0000 Buried
88 Y H -0.7667 Soluble
89 M H 0.0000 Buried
90 E H -1.5605 Soluble
91 L H 0.0000 Buried
92 S H -1.3507 Soluble
93 S H -1.3609 Soluble
94 L H 0.0000 Buried
95 R H -3.1120 Soluble
96 S H -2.3985 Soluble
97 E H -2.6009 Soluble
98 D H 0.0000 Buried
99 T H -0.8024 Soluble
100 A H 0.0000 Buried
101 V H 0.3944 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 L H 0.5724 Aggregation-prone
108 S H 0.4000 Aggregation-prone
109 T H 0.1008 Aggregation-prone
113 G H 0.0413 Aggregation-prone
114 T H 0.4488 Aggregation-prone
115 F H 1.0519 Aggregation-prone
116 A H 0.0000 Buried
117 Y H 0.3303 Aggregation-prone
118 W H -0.2737 Soluble
119 G H 0.0000 Buried
120 Q H -1.3211 Soluble
121 G H -0.4923 Soluble
122 T H 0.0000 Buried
123 L H 0.8942 Aggregation-prone
124 V H 0.0000 Buried
125 T H 0.0000 Buried
126 V H 0.0000 Buried
127 S H -1.3217 Soluble
128 S H -0.8975 Soluble
129 A H -0.5613 Soluble
130 S H -0.5577 Soluble
131 T H -0.5836 Soluble
132 K H -1.0743 Soluble
133 G H -1.3877 Soluble
134 P H 0.0000 Buried
135 S H -0.4290 Soluble
136 V H 0.0000 Buried
137 F H 0.0000 Buried
138 P H -1.0811 Soluble
139 L H 0.0000 Buried
140 A H -1.1213 Soluble
141 P H 0.0000 Buried
142 S H -0.5868 Soluble
143 T H -0.5704 Soluble
144 S H -0.7054 Soluble
145 G H -0.8827 Soluble
146 G H -0.8934 Soluble
147 T H -0.6197 Soluble
148 A H 0.0000 Buried
149 A H 0.0000 Buried
150 L H 0.0000 Buried
151 G H 0.0000 Buried
152 C H 0.0000 Buried
153 L H 0.0000 Buried
154 V H 0.0000 Buried
155 K H 0.0000 Buried
156 D H -0.4123 Soluble
157 Y H 0.0000 Buried
158 F H 0.0000 Buried
159 P H 0.0000 Buried
160 E H -0.9256 Soluble
161 P H -0.9989 Soluble
162 V H -0.6908 Soluble
163 T H -0.6873 Soluble
164 V H -0.2348 Soluble
165 S H -0.3731 Soluble
166 W H 0.0000 Buried
167 N H -0.6395 Soluble
168 S H -0.6029 Soluble
169 G H -0.3846 Soluble
170 A H -0.1957 Soluble
171 L H 0.0385 Aggregation-prone
172 T H -0.1090 Soluble
173 S H -0.1282 Soluble
174 G H -0.0961 Soluble
175 V H 0.2870 Aggregation-prone
176 H H 0.0000 Buried
177 T H 0.0745 Aggregation-prone
178 F H 0.0000 Buried
179 P H -0.3688 Soluble
180 A H 0.0081 Aggregation-prone
181 V H 0.4125 Aggregation-prone
182 L H 1.1520 Aggregation-prone
183 Q H 0.2757 Aggregation-prone
184 S H -0.0627 Soluble
185 S H -0.1902 Soluble
186 G H 0.0294 Aggregation-prone
187 L H -0.0005 Soluble
188 Y H 0.0000 Buried
189 S H 0.0875 Aggregation-prone
190 L H 0.0000 Buried
191 S H 0.0000 Buried
192 S H 0.0000 Buried
193 V H 0.0000 Buried
194 V H 0.0000 Buried
195 T H -0.0797 Soluble
196 V H 0.0000 Buried
197 P H -0.5490 Soluble
198 S H -0.6517 Soluble
199 S H -0.6437 Soluble
200 S H -0.6193 Soluble
201 L H -0.8047 Soluble
202 G H -1.0128 Soluble
203 T H -0.7861 Soluble
204 Q H -1.2811 Soluble
205 T H -1.1008 Soluble
206 Y H 0.0000 Buried
207 I H -1.0528 Soluble
208 C H 0.0000 Buried
209 N H -1.4282 Soluble
210 V H 0.0000 Buried
211 N H -2.0921 Soluble
212 H H 0.0000 Buried
213 K H -2.8380 Soluble
214 P H -1.6991 Soluble
215 S H -1.8201 Soluble
216 N H -2.5379 Soluble
217 T H -2.1227 Soluble
218 K H -2.7933 Soluble
219 V H -1.7021 Soluble
220 D H -2.4190 Soluble
221 K H -1.8830 Soluble
222 K H -2.1013 Soluble
223 V H 0.0000 Buried
224 E H -2.7005 Soluble
225 P H -2.0299 Soluble
226 K H -2.0836 Soluble
1 D L -1.3369 Soluble
2 I L 0.0000 Buried
3 V L 0.8122 Aggregation-prone
4 M L 0.0000 Buried
5 T L -0.7331 Soluble
6 Q L -1.1764 Soluble
7 S L -1.4099 Soluble
8 P L -1.5700 Soluble
9 D L -2.5278 Soluble
10 S L -1.7203 Soluble
11 L L -0.9604 Soluble
12 A L -0.6340 Soluble
13 V L 0.0000 Buried
14 S L -1.0222 Soluble
15 L L 0.0028 Aggregation-prone
16 G L -1.1227 Soluble
17 E L -2.6410 Soluble
18 R L -2.7681 Soluble
19 A L 0.0000 Buried
20 T L -0.6633 Soluble
21 I L 0.0000 Buried
22 N L -1.5596 Soluble
23 C L 0.0000 Buried
24 K L -1.9754 Soluble
25 S L 0.0000 Buried
26 S L -0.8430 Soluble
27 Q L -1.3004 Soluble
28 S L -0.7705 Soluble
29 L L 0.0000 Buried
30 W L -0.2104 Soluble
31 D L -0.9947 Soluble
32 S L -1.3781 Soluble
33 G L -1.6334 Soluble
34 N L -2.2849 Soluble
35 Q L -2.1561 Soluble
36 K L -1.3226 Soluble
37 N L 0.0000 Buried
38 F L 0.0000 Buried
39 L L 0.0000 Buried
40 T 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 -2.3205 Soluble
46 P L -1.5573 Soluble
47 G L -1.4976 Soluble
48 Q L -2.1449 Soluble
49 P L -1.5056 Soluble
50 P L 0.0000 Buried
51 K L -1.7853 Soluble
52 L L 0.0000 Buried
53 L L 0.0000 Buried
54 I L 0.0000 Buried
55 Y L -0.1284 Soluble
56 W L -0.0666 Soluble
57 T L 0.0000 Buried
65 S L -0.4289 Soluble
66 Y L -0.3102 Soluble
67 R L -1.7867 Soluble
68 E L -0.9851 Soluble
69 S L -0.6327 Soluble
70 G L -1.0081 Soluble
71 V L -1.2103 Soluble
72 P L -1.3498 Soluble
74 D L -2.2210 Soluble
75 R L -1.5160 Soluble
76 F L 0.0000 Buried
77 S L -0.8862 Soluble
78 G L -0.4436 Soluble
79 S L -0.6157 Soluble
80 G L -1.0766 Soluble
83 S L -0.7357 Soluble
84 G L -0.9423 Soluble
85 T L -1.4870 Soluble
86 D L -2.1903 Soluble
87 F L 0.0000 Buried
88 T L -0.9379 Soluble
89 L L 0.0000 Buried
90 T L -0.7101 Soluble
91 I L 0.0000 Buried
92 S L -2.0265 Soluble
93 S L -1.6767 Soluble
94 L L 0.0000 Buried
95 Q L -1.0642 Soluble
96 A L -1.1766 Soluble
97 E L -2.0710 Soluble
98 D L 0.0000 Buried
99 V L -1.2164 Soluble
100 A L 0.0000 Buried
101 V L -1.0319 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 N L 0.0000 Buried
107 D L 0.5362 Aggregation-prone
108 Y L 1.2351 Aggregation-prone
109 F L 1.9694 Aggregation-prone
114 Y L 1.1955 Aggregation-prone
115 P L 0.3030 Aggregation-prone
116 H L 0.0000 Buried
117 T L 0.4400 Aggregation-prone
118 F L 0.2216 Aggregation-prone
119 G L 0.0000 Buried
120 G L -1.0500 Soluble
121 G L 0.0000 Buried
122 T L 0.0000 Buried
123 K L -2.2535 Soluble
124 V L 0.0000 Buried
125 E L -1.0150 Soluble
126 I L 0.0000 Buried
127 K L -1.1759 Soluble
128 R L -0.6542 Soluble
129 T L 0.1904 Aggregation-prone
130 V L 1.1908 Aggregation-prone
131 A L 0.4535 Aggregation-prone
132 A L 0.0574 Aggregation-prone
133 P L 0.0000 Buried
134 S L -0.2094 Soluble
135 V L 0.0000 Buried
136 F L 0.0000 Buried
137 I L -0.0006 Soluble
138 F L 0.0000 Buried
139 P L -0.5095 Soluble
140 P L 0.0000 Buried
141 S L -1.6350 Soluble
142 D L -2.9268 Soluble
143 E L -3.0130 Soluble
144 Q L 0.0000 Buried
145 L L -2.0523 Soluble
146 K L -2.7579 Soluble
147 S L -1.7060 Soluble
148 G L -0.9958 Soluble
149 T L -0.7754 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 -0.7728 Soluble
159 F L 0.0000 Buried
160 Y L 0.0000 Buried
161 P L -1.6612 Soluble
162 R L -3.2240 Soluble
163 E L -3.2707 Soluble
164 A L -2.3549 Soluble
165 K L -2.4352 Soluble
166 V L -1.1424 Soluble
167 Q L -0.6810 Soluble
168 W L 0.0000 Buried
169 K L -0.4720 Soluble
170 V L 0.0000 Buried
171 D L -1.5321 Soluble
172 N L -1.3177 Soluble
173 A L -0.1148 Soluble
174 L L 0.8314 Aggregation-prone
175 Q L -0.0469 Soluble
176 S L -0.4543 Soluble
177 G L -0.8910 Soluble
178 N L -0.8042 Soluble
179 S L -1.2021 Soluble
180 Q L -1.5429 Soluble
181 E L -2.0522 Soluble
182 S L -0.9053 Soluble
183 V L -0.8279 Soluble
184 T L -1.1084 Soluble
185 E L -2.2452 Soluble
186 Q L 0.0000 Buried
187 D L -1.9383 Soluble
188 S L -1.9459 Soluble
189 K L -2.1902 Soluble
190 D L -1.5887 Soluble
191 S L -1.6763 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 -0.7334 Soluble
199 L L 0.0000 Buried
200 T L -0.4170 Soluble
201 L L -0.6643 Soluble
202 S L -1.0357 Soluble
203 K L -1.9046 Soluble
204 A L -1.9250 Soluble
205 D L -2.6102 Soluble
206 Y L 0.0000 Buried
207 E L -3.7017 Soluble
208 K L -3.6959 Soluble
209 H L -2.9786 Soluble
210 K L -3.1551 Soluble
211 V L -1.2131 Soluble
212 Y L 0.0000 Buried
213 A L 0.0000 Buried
214 C L 0.0000 Buried
215 E L -1.0106 Soluble
216 V L 0.0000 Buried
217 T L -1.2569 Soluble
218 H L 0.0000 Buried
219 Q L -1.6241 Soluble
220 G L -0.2058 Soluble
221 L L -0.1798 Soluble
222 S L -0.4671 Soluble
223 S L -0.4321 Soluble
224 P L -0.5837 Soluble
225 V L -0.0762 Soluble
226 T L -0.5663 Soluble
227 K L -0.7624 Soluble
228 S L -0.5745 Soluble
229 F L -0.7588 Soluble
230 N L -1.7345 Soluble
231 R L -2.4589 Soluble
232 G L -2.0238 Soluble
233 E L -2.1557 Soluble
234 C L -0.7407 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 -0.6906 4.8241 CSV PDB
4.5 -0.7358 4.7536 CSV PDB
5.0 -0.7895 4.6691 CSV PDB
5.5 -0.8406 4.5777 CSV PDB
6.0 -0.8764 4.4837 CSV PDB
6.5 -0.8868 4.3888 CSV PDB
7.0 -0.8716 4.294 CSV PDB
7.5 -0.8387 4.2001 CSV PDB
8.0 -0.796 4.1093 CSV PDB
8.5 -0.7465 4.0265 CSV PDB
9.0 -0.691 3.96 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH