Rontalizumab / 4z5r

A4DAB228_4z5r_K_J | Source PDB: 4z5r | Chains: K, J | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.7011
Max Score
1.3171
Min Score
-3.5862
Total Score
-301.45
Score CDR
-0.1411
Score non-CDR
-0.7714

Calculation Parameters

Chain Sequence(s) EVQLVESGGGLVQPGGSLRLSCATSGYTFTEYIIHWVRQAPGKGLEWVASINPDYDITNYNQRFKGRFTISLDKSKRTAYLQMNSLRAEDTAVYYCASWISDFFDYWGQGTLVTVSSASTKGPSVFPLAPSSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPDIQMTQSPSSLSASVGDRVTITCRASQSVSTSSYSYMHWYQQKPGKAPKVLISYASNLESGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQHSWGIPRTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGE input.pdb
Selected Chain(s) K (Heavy), J (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 -3.5862
Maximum Score 1.3171
Average Score -0.7011
Total Score -301.4523

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

Index Residue Chain A4D Score Classification
1 E K -2.1139 Soluble
2 V K -1.2916 Soluble
3 Q K -1.3564 Soluble
4 L K 0.0000 Buried
5 V K 0.4843 Aggregation-prone
6 E K 0.0000 Buried
7 S K -0.5187 Soluble
8 G K -0.9413 Soluble
9 G K -0.5418 Soluble
11 G K -0.2783 Soluble
12 L K 0.0410 Aggregation-prone
13 V K -0.5950 Soluble
14 Q K -1.6034 Soluble
15 P K -1.7553 Soluble
16 G K -1.4581 Soluble
17 G K -1.0835 Soluble
18 S K -1.3198 Soluble
19 L K -1.1378 Soluble
20 R K -2.2685 Soluble
21 L K 0.0000 Buried
22 S K -0.4911 Soluble
23 C K 0.0000 Buried
24 A K -0.2884 Soluble
25 T K 0.0000 Buried
26 S K -1.0115 Soluble
27 G K -1.3108 Soluble
28 Y K -0.8972 Soluble
29 T K -0.6606 Soluble
30 F K 0.0000 Buried
35 T K -1.4605 Soluble
36 E K -1.7290 Soluble
37 Y K -0.3459 Soluble
38 I K 0.3905 Aggregation-prone
39 I K 0.0000 Buried
40 H K 0.0000 Buried
41 W K 0.0000 Buried
42 V K 0.0000 Buried
43 R K 0.0000 Buried
44 Q K -0.6941 Soluble
45 A K -1.1555 Soluble
46 P K -0.9763 Soluble
47 G K -1.4707 Soluble
48 K K -2.3117 Soluble
49 G K -1.5360 Soluble
50 L K 0.0000 Buried
51 E K -0.7322 Soluble
52 W K 0.0000 Buried
53 V K 0.0000 Buried
54 A K 0.0000 Buried
55 S K 0.0000 Buried
56 I K 0.0000 Buried
57 N K -0.3727 Soluble
58 P K 0.0000 Buried
59 D K -1.9415 Soluble
62 Y K -0.0248 Soluble
63 D K -0.8826 Soluble
64 I K 0.6846 Aggregation-prone
65 T K 0.2988 Aggregation-prone
66 N K -0.2083 Soluble
67 Y K -1.1134 Soluble
68 N K -1.6189 Soluble
69 Q K -2.7240 Soluble
70 R K -3.0442 Soluble
71 F K 0.0000 Buried
72 K K -2.9933 Soluble
74 G K -1.9857 Soluble
75 R K -1.5590 Soluble
76 F K 0.0000 Buried
77 T K -1.0276 Soluble
78 I K 0.0000 Buried
79 S K -0.4250 Soluble
80 L K -1.0145 Soluble
81 D K -1.9627 Soluble
82 K K -2.6999 Soluble
83 S K -2.0345 Soluble
84 K K -2.6542 Soluble
85 R K -2.0200 Soluble
86 T K 0.0000 Buried
87 A K 0.0000 Buried
88 Y K -0.6089 Soluble
89 L K 0.0000 Buried
90 Q K -1.6013 Soluble
91 M K 0.0000 Buried
92 N K -1.4314 Soluble
93 S K -1.2582 Soluble
94 L K 0.0000 Buried
95 R K -2.4583 Soluble
96 A K -1.8334 Soluble
97 E K -2.2801 Soluble
98 D K 0.0000 Buried
99 T K -0.7175 Soluble
100 A K 0.0000 Buried
101 V K 0.1741 Aggregation-prone
102 Y K 0.0000 Buried
103 Y K 0.0000 Buried
104 C K 0.0000 Buried
105 A K 0.0000 Buried
106 S K 0.0000 Buried
107 W K 0.0000 Buried
108 I K 1.3171 Aggregation-prone
109 S K 0.6222 Aggregation-prone
113 D K 0.1286 Aggregation-prone
114 F K 0.3385 Aggregation-prone
115 F K 0.0000 Buried
116 D K -0.2377 Soluble
117 Y K 0.1066 Aggregation-prone
118 W K -0.4450 Soluble
119 G K 0.0000 Buried
120 Q K -1.4712 Soluble
121 G K -0.6737 Soluble
122 T K -0.1618 Soluble
123 L K 0.0086 Aggregation-prone
124 V K 0.0000 Buried
125 T K -0.4246 Soluble
126 V K 0.0000 Buried
127 S K -0.9439 Soluble
128 S K -0.7016 Soluble
129 A K -0.4580 Soluble
130 S K -0.6093 Soluble
131 T K -0.7361 Soluble
132 K K -1.4909 Soluble
133 G K -1.5937 Soluble
134 P K 0.0000 Buried
135 S K -0.3645 Soluble
136 V K 0.0000 Buried
137 F K 0.0000 Buried
138 P K -1.2337 Soluble
139 L K 0.0000 Buried
140 A K -0.8781 Soluble
141 P K 0.0000 Buried
142 S K -0.3111 Soluble
143 S K -0.5306 Soluble
144 G K -0.8641 Soluble
145 G K -0.8543 Soluble
146 T K -0.5932 Soluble
147 A K -0.3698 Soluble
148 A K 0.0000 Buried
149 L K 0.0000 Buried
150 G K 0.0000 Buried
151 C K 0.0000 Buried
152 L K 0.0000 Buried
153 V K 0.0000 Buried
154 K K 0.0000 Buried
155 D K -0.5788 Soluble
156 Y K 0.0000 Buried
157 F K 0.0000 Buried
158 P K 0.0000 Buried
159 E K -0.5905 Soluble
160 P K -0.7399 Soluble
161 V K -0.7173 Soluble
162 T K -0.6704 Soluble
163 V K -0.1597 Soluble
164 S K -0.3467 Soluble
165 W K 0.0000 Buried
166 N K -0.7050 Soluble
167 S K -0.5820 Soluble
168 G K -0.5513 Soluble
169 A K -0.2329 Soluble
170 L K 0.0080 Aggregation-prone
171 T K -0.1690 Soluble
172 S K -0.2080 Soluble
173 G K -0.2700 Soluble
174 V K 0.1105 Aggregation-prone
175 H K -0.0516 Soluble
176 T K 0.0294 Aggregation-prone
177 F K 0.0000 Buried
178 P K -0.2505 Soluble
179 A K 0.2864 Aggregation-prone
180 V K 0.4349 Aggregation-prone
181 L K 0.9120 Aggregation-prone
182 Q K -0.0495 Soluble
183 S K -0.3890 Soluble
184 S K -0.3066 Soluble
185 G K -0.0734 Soluble
186 L K -0.0262 Soluble
187 Y K 0.3903 Aggregation-prone
188 S K 0.0000 Buried
189 L K 0.3590 Aggregation-prone
190 S K 0.0000 Buried
191 S K 0.0000 Buried
192 V K 0.0000 Buried
193 V K 0.0000 Buried
194 T K -0.1366 Soluble
195 V K 0.0000 Buried
196 P K -0.6060 Soluble
197 S K -0.7285 Soluble
198 S K -0.6515 Soluble
199 S K -0.5969 Soluble
200 L K -0.8596 Soluble
201 G K -1.1164 Soluble
202 T K -0.7345 Soluble
203 Q K -1.2298 Soluble
204 T K -1.1367 Soluble
205 Y K 0.0000 Buried
206 I K -1.1575 Soluble
207 C K 0.0000 Buried
208 N K -1.3159 Soluble
209 V K 0.0000 Buried
210 N K -2.0836 Soluble
211 H K 0.0000 Buried
212 K K -2.8452 Soluble
213 P K -1.6721 Soluble
214 S K -1.9262 Soluble
215 N K -2.6558 Soluble
216 T K -2.2252 Soluble
217 K K -2.6697 Soluble
218 V K -1.5409 Soluble
219 D K -1.9012 Soluble
220 K K -1.8212 Soluble
221 K K -2.4727 Soluble
222 V K 0.0000 Buried
223 E K -2.5229 Soluble
224 P K -1.2700 Soluble
1 D J -2.0894 Soluble
2 I J 0.0000 Buried
3 Q J -2.2693 Soluble
4 M J 0.0000 Buried
5 T J -1.3857 Soluble
6 Q J 0.0000 Buried
7 S J -0.8005 Soluble
8 P J -0.4621 Soluble
9 S J -0.7784 Soluble
10 S J -0.7455 Soluble
11 L J -0.5714 Soluble
12 S J -0.8579 Soluble
13 A J -1.0746 Soluble
14 S J -1.0086 Soluble
15 V J -0.3070 Soluble
16 G J -0.8719 Soluble
17 D J -1.9074 Soluble
18 R J -2.3429 Soluble
19 V J 0.0000 Buried
20 T J -0.6249 Soluble
21 I J 0.0000 Buried
22 T J -0.8132 Soluble
23 C J 0.0000 Buried
24 R J -2.5458 Soluble
25 A J 0.0000 Buried
26 S J -1.8611 Soluble
27 Q J -1.8369 Soluble
28 S J -0.9084 Soluble
29 V J 0.0000 Buried
30 S J 0.1615 Aggregation-prone
31 T J 0.2570 Aggregation-prone
34 S J -0.0267 Soluble
35 S J 0.2745 Aggregation-prone
36 Y J 1.2271 Aggregation-prone
37 S J 0.0000 Buried
38 Y J 0.6985 Aggregation-prone
39 M J 0.0000 Buried
40 H J 0.0000 Buried
41 W J 0.0000 Buried
42 Y J 0.0000 Buried
43 Q J 0.0000 Buried
44 Q J 0.0000 Buried
45 K J -1.7472 Soluble
46 P J -1.4546 Soluble
47 G J -1.7413 Soluble
48 K J -2.3711 Soluble
49 A J -1.4327 Soluble
50 P J 0.0000 Buried
51 K J -1.4862 Soluble
52 V J -0.5036 Soluble
53 L J 0.0000 Buried
54 I J 0.0000 Buried
55 S J 0.0000 Buried
56 Y J 0.3086 Aggregation-prone
57 A J 0.0000 Buried
65 S J -0.6343 Soluble
66 N J -1.1732 Soluble
67 L J -0.4046 Soluble
68 E J -0.6392 Soluble
69 S J -0.6012 Soluble
70 G J -0.5582 Soluble
71 V J -0.3810 Soluble
72 P J -0.3504 Soluble
74 S J -0.4304 Soluble
75 R J -0.7823 Soluble
76 F J 0.0000 Buried
77 S J -0.5454 Soluble
78 G J -0.4814 Soluble
79 S J -0.7546 Soluble
80 G J -0.9404 Soluble
83 S J -0.5071 Soluble
84 G J -0.8188 Soluble
85 T J -1.5249 Soluble
86 D J -1.9901 Soluble
87 F J 0.0000 Buried
88 T J -0.7306 Soluble
89 L J 0.0000 Buried
90 T J -0.6064 Soluble
91 I J 0.0000 Buried
92 S J -1.3694 Soluble
93 S J -1.1540 Soluble
94 L J 0.0000 Buried
95 Q J -0.8793 Soluble
96 P J -1.7311 Soluble
97 E J -2.0604 Soluble
98 D J 0.0000 Buried
99 F J 0.0000 Buried
100 A J 0.0000 Buried
101 T J -0.7414 Soluble
102 Y J 0.0000 Buried
103 Y J 0.0000 Buried
104 C J 0.0000 Buried
105 Q J 0.0000 Buried
106 H J 0.0000 Buried
107 S J 0.2433 Aggregation-prone
108 W J 0.2071 Aggregation-prone
109 G J 0.0288 Aggregation-prone
114 I J 0.2746 Aggregation-prone
115 P J 0.0000 Buried
116 R J -0.3644 Soluble
117 T J -0.7085 Soluble
118 F J 0.0000 Buried
119 G J 0.0000 Buried
120 Q J -1.6696 Soluble
121 G J 0.0000 Buried
122 T J 0.0000 Buried
123 K J -1.2976 Soluble
124 V J 0.0000 Buried
125 E J -1.5392 Soluble
126 I J 0.0000 Buried
127 K J -1.3836 Soluble
128 R J -0.8831 Soluble
129 T J -0.0631 Soluble
130 V J 0.3716 Aggregation-prone
131 A J 0.1405 Aggregation-prone
132 A J -0.1208 Soluble
133 P J 0.0000 Buried
134 S J -0.1385 Soluble
135 V J 0.0000 Buried
136 F J 0.1328 Aggregation-prone
137 I J 0.0952 Aggregation-prone
138 F J 0.0000 Buried
139 P J -0.5210 Soluble
140 P J -0.8644 Soluble
141 S J -1.7175 Soluble
142 D J -3.1170 Soluble
143 E J -3.2731 Soluble
144 Q J 0.0000 Buried
145 L J -2.3623 Soluble
146 K J -3.0329 Soluble
147 S J -1.9428 Soluble
148 G J -1.2781 Soluble
149 T J -1.0988 Soluble
150 A J 0.0000 Buried
151 S J 0.0000 Buried
152 V J 0.0000 Buried
153 V J 0.0000 Buried
154 C J 0.0000 Buried
155 L J 0.0000 Buried
156 L J 0.0000 Buried
157 N J 0.0000 Buried
158 N J -1.0265 Soluble
159 F J 0.0000 Buried
160 Y J 0.0000 Buried
161 P J -1.8288 Soluble
162 R J -3.1596 Soluble
163 E J -3.2827 Soluble
164 A J -2.3899 Soluble
165 K J -2.4404 Soluble
166 V J -0.9785 Soluble
167 Q J -0.5686 Soluble
168 W J 0.0000 Buried
169 K J -0.5212 Soluble
170 V J 0.0000 Buried
171 D J -2.0094 Soluble
172 N J -1.5847 Soluble
173 A J -0.2273 Soluble
174 L J 0.7840 Aggregation-prone
175 Q J -0.1636 Soluble
176 S J -0.7445 Soluble
177 G J -1.3364 Soluble
178 N J -1.6228 Soluble
179 S J -1.6206 Soluble
180 Q J -1.9207 Soluble
181 E J -1.5991 Soluble
182 S J 0.0000 Buried
183 V J -0.7642 Soluble
184 T J -1.2874 Soluble
185 E J -2.4402 Soluble
186 Q J 0.0000 Buried
187 D J -2.5474 Soluble
188 S J -2.5236 Soluble
189 K J -2.7587 Soluble
190 D J -2.1135 Soluble
191 S J 0.0000 Buried
192 T J 0.0000 Buried
193 Y J 0.0000 Buried
194 S J 0.0000 Buried
195 L J 0.0000 Buried
196 S J 0.0000 Buried
197 S J 0.0000 Buried
198 T J -0.7695 Soluble
199 L J 0.0000 Buried
200 T J -0.6345 Soluble
201 L J -0.7092 Soluble
202 S J -1.2299 Soluble
203 K J -2.0624 Soluble
204 A J -1.7938 Soluble
205 D J -2.4382 Soluble
206 Y J 0.0000 Buried
207 E J -3.4011 Soluble
208 K J -3.5862 Soluble
209 H J -3.1626 Soluble
210 K J -3.2989 Soluble
211 V J -1.5190 Soluble
212 Y J 0.0000 Buried
213 A J 0.0000 Buried
214 C J 0.0000 Buried
215 E J -0.7372 Soluble
216 V J 0.0000 Buried
217 T J -1.2310 Soluble
218 H J 0.0000 Buried
219 Q J -1.7836 Soluble
220 G J -0.4152 Soluble
221 L J -0.2561 Soluble
222 S J -0.4768 Soluble
223 S J -0.4106 Soluble
224 P J -0.5471 Soluble
225 V J 0.0846 Aggregation-prone
226 T J -0.4448 Soluble
227 K J -0.6977 Soluble
228 S J -0.5304 Soluble
229 F J -0.9160 Soluble
230 N J -1.9015 Soluble
231 R J -2.5336 Soluble
232 G J -2.1406 Soluble
233 E J -2.4643 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 -0.7297 2.6062 CSV PDB
4.5 -0.774 2.3835 CSV PDB
5.0 -0.8262 2.1271 CSV PDB
5.5 -0.876 1.9499 CSV PDB
6.0 -0.9115 1.8096 CSV PDB
6.5 -0.9237 1.6929 CSV PDB
7.0 -0.9129 1.607 CSV PDB
7.5 -0.8869 1.5434 CSV PDB
8.0 -0.8528 1.4909 CSV PDB
8.5 -0.8128 1.4449 CSV PDB
9.0 -0.7666 1.5977 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH