Rontalizumab / 4z5r

A4DAB228_4z5r_U_T | Source PDB: 4z5r | Chains: U, T | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.6916
Max Score
1.546
Min Score
-3.6468
Total Score
-297.37
Score CDR
-0.1155
Score non-CDR
-0.7639

Calculation Parameters

Chain Sequence(s) EVQLVESGGGLVQPGGSLRLSCATSGYTFTEYIIHWVRQAPGKGLEWVASINPDYDITNYNQRFKGRFTISLDKSKRTAYLQMNSLRAEDTAVYYCASWISDFFDYWGQGTLVTVSSASTKGPSVFPLAPSSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPDIQMTQSPSSLSASVGDRVTITCRASQSVSTSSYSYMHWYQQKPGKAPKVLISYASNLESGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQHSWGIPRTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGE input.pdb
Selected Chain(s) U (Heavy), T (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 -3.6468
Maximum Score 1.546
Average Score -0.6916
Total Score -297.3701

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

Index Residue Chain A4D Score Classification
1 E U -2.1155 Soluble
2 V U -1.2872 Soluble
3 Q U -1.3461 Soluble
4 L U 0.0000 Buried
5 V U 0.5212 Aggregation-prone
6 E U 0.0000 Buried
7 S U -0.4846 Soluble
8 G U -0.8861 Soluble
9 G U -0.4473 Soluble
11 G U -0.1940 Soluble
12 L U 0.1678 Aggregation-prone
13 V U -0.4993 Soluble
14 Q U -1.5249 Soluble
15 P U -1.7473 Soluble
16 G U -1.5863 Soluble
17 G U -1.2819 Soluble
18 S U -1.7799 Soluble
19 L U -1.4555 Soluble
20 R U -2.5635 Soluble
21 L U 0.0000 Buried
22 S U -0.5437 Soluble
23 C U 0.0000 Buried
24 A U -0.2837 Soluble
25 T U 0.0000 Buried
26 S U -1.0128 Soluble
27 G U -1.3114 Soluble
28 Y U -0.9000 Soluble
29 T U -0.6655 Soluble
30 F U 0.0000 Buried
35 T U -1.4502 Soluble
36 E U -1.6816 Soluble
37 Y U -0.2588 Soluble
38 I U 0.4660 Aggregation-prone
39 I U 0.0000 Buried
40 H U 0.0000 Buried
41 W U 0.0000 Buried
42 V U 0.0000 Buried
43 R U 0.0000 Buried
44 Q U -0.6799 Soluble
45 A U -1.1444 Soluble
46 P U -0.9657 Soluble
47 G U -1.4707 Soluble
48 K U -2.3131 Soluble
49 G U -1.5324 Soluble
50 L U 0.0000 Buried
51 E U -0.7052 Soluble
52 W U 0.0000 Buried
53 V U 0.0000 Buried
54 A U 0.0000 Buried
55 S U 0.0000 Buried
56 I U 0.0000 Buried
57 N U -0.3044 Soluble
58 P U 0.0000 Buried
59 D U -1.9329 Soluble
62 Y U 0.0117 Aggregation-prone
63 D U -0.8356 Soluble
64 I U 0.7893 Aggregation-prone
65 T U 0.3837 Aggregation-prone
66 N U -0.0222 Soluble
67 Y U -0.9463 Soluble
68 N U 0.0000 Buried
69 Q U -2.7859 Soluble
70 R U -3.0035 Soluble
71 F U 0.0000 Buried
72 K U -2.9615 Soluble
74 G U -2.1121 Soluble
75 R U -1.9564 Soluble
76 F U 0.0000 Buried
77 T U -1.3118 Soluble
78 I U 0.0000 Buried
79 S U -0.4828 Soluble
80 L U -0.9964 Soluble
81 D U -1.9282 Soluble
82 K U -2.7288 Soluble
83 S U -2.0491 Soluble
84 K U -2.6701 Soluble
85 R U -2.0653 Soluble
86 T U 0.0000 Buried
87 A U 0.0000 Buried
88 Y U -0.7260 Soluble
89 L U 0.0000 Buried
90 Q U -2.2822 Soluble
91 M U 0.0000 Buried
92 N U -2.3859 Soluble
93 S U -1.6324 Soluble
94 L U 0.0000 Buried
95 R U -2.4561 Soluble
96 A U -1.7654 Soluble
97 E U -2.2397 Soluble
98 D U 0.0000 Buried
99 T U -0.6848 Soluble
100 A U 0.0000 Buried
101 V U 0.2009 Aggregation-prone
102 Y U 0.0000 Buried
103 Y U 0.0000 Buried
104 C U 0.0000 Buried
105 A U 0.0000 Buried
106 S U 0.0000 Buried
107 W U 0.0000 Buried
108 I U 1.5460 Aggregation-prone
109 S U 0.7569 Aggregation-prone
113 D U 0.2033 Aggregation-prone
114 F U 0.4037 Aggregation-prone
115 F U 0.0000 Buried
116 D U -0.1818 Soluble
117 Y U 0.1156 Aggregation-prone
118 W U -0.4544 Soluble
119 G U 0.0000 Buried
120 Q U -1.4194 Soluble
121 G U -0.6294 Soluble
122 T U -0.1198 Soluble
123 L U 0.0672 Aggregation-prone
124 V U 0.0000 Buried
125 T U -0.3324 Soluble
126 V U 0.0000 Buried
127 S U -0.7012 Soluble
128 S U -0.6607 Soluble
129 A U -0.4266 Soluble
130 S U -0.5890 Soluble
131 T U -0.7155 Soluble
132 K U -1.3580 Soluble
133 G U -1.4985 Soluble
134 P U -0.6515 Soluble
135 S U -0.2143 Soluble
136 V U 0.0000 Buried
137 F U -0.5518 Soluble
138 P U -1.0439 Soluble
139 L U 0.0000 Buried
140 A U -0.8308 Soluble
141 P U -0.5687 Soluble
142 S U -0.3163 Soluble
143 S U -0.4570 Soluble
144 G U -0.7560 Soluble
145 G U -0.8513 Soluble
146 T U -0.6132 Soluble
147 A U 0.0000 Buried
148 A U 0.0000 Buried
149 L U 0.0000 Buried
150 G U 0.0000 Buried
151 C U 0.0000 Buried
152 L U 0.0000 Buried
153 V U 0.0000 Buried
154 K U 0.0000 Buried
155 D U -0.6517 Soluble
156 Y U 0.0000 Buried
157 F U 0.0000 Buried
158 P U 0.0000 Buried
159 E U -0.5862 Soluble
160 P U -0.6510 Soluble
161 V U -0.4670 Soluble
162 T U -0.5916 Soluble
163 V U -0.2354 Soluble
164 S U -0.4561 Soluble
165 W U 0.0000 Buried
166 N U -0.9300 Soluble
167 S U -0.7279 Soluble
168 G U -0.5528 Soluble
169 A U -0.2518 Soluble
170 L U -0.0749 Soluble
171 T U -0.2274 Soluble
172 S U -0.2868 Soluble
173 G U -0.3015 Soluble
174 V U 0.1142 Aggregation-prone
175 H U -0.3777 Soluble
176 T U -0.1271 Soluble
177 F U 0.0000 Buried
178 P U -0.2356 Soluble
179 A U 0.2935 Aggregation-prone
180 V U 0.6458 Aggregation-prone
181 L U 1.2844 Aggregation-prone
182 Q U 0.2775 Aggregation-prone
183 S U -0.1979 Soluble
184 S U -0.2488 Soluble
185 G U 0.0004 Aggregation-prone
186 L U 0.0373 Aggregation-prone
187 Y U 0.4209 Aggregation-prone
188 S U 0.0000 Buried
189 L U 0.0000 Buried
190 S U 0.0000 Buried
191 S U 0.0000 Buried
192 V U 0.0000 Buried
193 V U 0.0000 Buried
194 T U -0.1744 Soluble
195 V U 0.0000 Buried
196 P U -0.4773 Soluble
197 S U -0.5551 Soluble
198 S U -0.5699 Soluble
199 S U -0.5679 Soluble
200 L U -0.7401 Soluble
201 G U -0.9602 Soluble
202 T U -0.7821 Soluble
203 Q U -1.3491 Soluble
204 T U -1.1881 Soluble
205 Y U 0.0000 Buried
206 I U -1.4047 Soluble
207 C U 0.0000 Buried
208 N U -1.5591 Soluble
209 V U 0.0000 Buried
210 N U -1.9059 Soluble
211 H U 0.0000 Buried
212 K U -2.8088 Soluble
213 P U -1.6331 Soluble
214 S U -1.8863 Soluble
215 N U -2.5121 Soluble
216 T U -2.2242 Soluble
217 K U -2.6866 Soluble
218 V U -1.5873 Soluble
219 D U -2.5269 Soluble
220 K U -2.1148 Soluble
221 K U -2.4189 Soluble
222 V U 0.0000 Buried
223 E U -2.4305 Soluble
224 P U -1.2169 Soluble
1 D T -2.1467 Soluble
2 I T 0.0000 Buried
3 Q T -2.1876 Soluble
4 M T 0.0000 Buried
5 T T -1.2397 Soluble
6 Q T 0.0000 Buried
7 S T -0.7269 Soluble
8 P T -0.4836 Soluble
9 S T -0.8268 Soluble
10 S T -0.7536 Soluble
11 L T -0.4936 Soluble
12 S T -0.7934 Soluble
13 A T -0.8857 Soluble
14 S T -0.8138 Soluble
15 V T -0.1160 Soluble
16 G T -0.6700 Soluble
17 D T -1.8728 Soluble
18 R T -2.3511 Soluble
19 V T 0.0000 Buried
20 T T -0.6258 Soluble
21 I T 0.0000 Buried
22 T T -0.7471 Soluble
23 C T 0.0000 Buried
24 R T -2.1518 Soluble
25 A T 0.0000 Buried
26 S T -1.7643 Soluble
27 Q T -1.8007 Soluble
28 S T -0.9001 Soluble
29 V T 0.0000 Buried
30 S T 0.0754 Aggregation-prone
31 T T 0.1858 Aggregation-prone
34 S T -0.0825 Soluble
35 S T 0.1784 Aggregation-prone
36 Y T 0.9897 Aggregation-prone
37 S T 0.0000 Buried
38 Y T 0.6172 Aggregation-prone
39 M T 0.0000 Buried
40 H T 0.0000 Buried
41 W T 0.0000 Buried
42 Y T 0.0000 Buried
43 Q T 0.0000 Buried
44 Q T 0.0000 Buried
45 K T -1.6907 Soluble
46 P T -1.3635 Soluble
47 G T -1.6590 Soluble
48 K T -2.2803 Soluble
49 A T -1.4657 Soluble
50 P T 0.0000 Buried
51 K T -1.8495 Soluble
52 V T -0.6660 Soluble
53 L T 0.0000 Buried
54 I T 0.0000 Buried
55 S T 0.0000 Buried
56 Y T 0.0964 Aggregation-prone
57 A T 0.0000 Buried
65 S T -0.6972 Soluble
66 N T -1.2107 Soluble
67 L T -0.4368 Soluble
68 E T -0.7513 Soluble
69 S T -0.5608 Soluble
70 G T -0.5324 Soluble
71 V T -0.3862 Soluble
72 P T -0.3530 Soluble
74 S T -0.4326 Soluble
75 R T -0.7404 Soluble
76 F T 0.0000 Buried
77 S T -0.5184 Soluble
78 G T 0.0000 Buried
79 S T -0.8308 Soluble
80 G T -1.0723 Soluble
83 S T -0.6976 Soluble
84 G T -0.8737 Soluble
85 T T -1.5532 Soluble
86 D T -2.1782 Soluble
87 F T 0.0000 Buried
88 T T -0.7320 Soluble
89 L T 0.0000 Buried
90 T T -0.5986 Soluble
91 I T 0.0000 Buried
92 S T -1.3938 Soluble
93 S T -1.1029 Soluble
94 L T 0.0000 Buried
95 Q T -0.9464 Soluble
96 P T -1.7150 Soluble
97 E T -2.3019 Soluble
98 D T 0.0000 Buried
99 F T 0.0000 Buried
100 A T 0.0000 Buried
101 T T -0.7383 Soluble
102 Y T 0.0000 Buried
103 Y T 0.0000 Buried
104 C T 0.0000 Buried
105 Q T 0.0000 Buried
106 H T 0.0000 Buried
107 S T 0.3185 Aggregation-prone
108 W T 0.2993 Aggregation-prone
109 G T 0.2057 Aggregation-prone
114 I T 0.6467 Aggregation-prone
115 P T 0.0000 Buried
116 R T -0.1986 Soluble
117 T T -0.6328 Soluble
118 F T 0.0000 Buried
119 G T 0.0000 Buried
120 Q T -1.7194 Soluble
121 G T 0.0000 Buried
122 T T 0.0000 Buried
123 K T -1.3749 Soluble
124 V T 0.0000 Buried
125 E T -1.0048 Soluble
126 I T 0.0000 Buried
127 K T -1.0137 Soluble
128 R T -0.5995 Soluble
129 T T 0.0926 Aggregation-prone
130 V T 0.7847 Aggregation-prone
131 A T 0.2281 Aggregation-prone
132 A T -0.1049 Soluble
133 P T 0.0000 Buried
134 S T -0.2004 Soluble
135 V T 0.0000 Buried
136 F T 0.0993 Aggregation-prone
137 I T 0.0825 Aggregation-prone
138 F T 0.0000 Buried
139 P T -0.8139 Soluble
140 P T -0.6971 Soluble
141 S T -1.4399 Soluble
142 D T -2.7851 Soluble
143 E T -2.7476 Soluble
144 Q T 0.0000 Buried
145 L T -2.1196 Soluble
146 K T -2.8418 Soluble
147 S T -1.7889 Soluble
148 G T -1.4538 Soluble
149 T T -1.1917 Soluble
150 A T 0.0000 Buried
151 S T 0.0000 Buried
152 V T 0.0000 Buried
153 V T 0.0000 Buried
154 C T 0.0000 Buried
155 L T 0.0000 Buried
156 L T 0.0000 Buried
157 N T -0.3678 Soluble
158 N T -0.9069 Soluble
159 F T 0.0000 Buried
160 Y T 0.0000 Buried
161 P T 0.0000 Buried
162 R T -2.9769 Soluble
163 E T -3.1411 Soluble
164 A T -2.2908 Soluble
165 K T -2.3928 Soluble
166 V T -1.0149 Soluble
167 Q T -0.6361 Soluble
168 W T 0.0000 Buried
169 K T -0.4873 Soluble
170 V T 0.0000 Buried
171 D T -1.5924 Soluble
172 N T -1.3743 Soluble
173 A T -0.1152 Soluble
174 L T 0.8349 Aggregation-prone
175 Q T -0.3228 Soluble
176 S T -0.6868 Soluble
177 G T -1.3346 Soluble
178 N T -1.7404 Soluble
179 S T -1.5474 Soluble
180 Q T -1.4548 Soluble
181 E T -1.8121 Soluble
182 S T 0.0000 Buried
183 V T -0.5424 Soluble
184 T T -1.0686 Soluble
185 E T -2.2313 Soluble
186 Q T 0.0000 Buried
187 D T -2.2409 Soluble
188 S T -2.3997 Soluble
189 K T -2.6940 Soluble
190 D T -1.9675 Soluble
191 S T 0.0000 Buried
192 T T 0.0000 Buried
193 Y T 0.0000 Buried
194 S T 0.0000 Buried
195 L T 0.0000 Buried
196 S T 0.0000 Buried
197 S T 0.0000 Buried
198 T T -0.8144 Soluble
199 L T 0.0000 Buried
200 T T -0.4998 Soluble
201 L T -0.9397 Soluble
202 S T -1.2890 Soluble
203 K T -2.2027 Soluble
204 A T -1.9821 Soluble
205 D T -3.0672 Soluble
206 Y T 0.0000 Buried
207 E T -3.5469 Soluble
208 K T -3.6468 Soluble
209 H T -3.1458 Soluble
210 K T -3.0739 Soluble
211 V T -1.3535 Soluble
212 Y T 0.0000 Buried
213 A T 0.0000 Buried
214 C T 0.0000 Buried
215 E T -0.8950 Soluble
216 V T 0.0000 Buried
217 T T -1.1910 Soluble
218 H T 0.0000 Buried
219 Q T -1.7113 Soluble
220 G T -0.4415 Soluble
221 L T -0.2500 Soluble
222 S T -0.5005 Soluble
223 S T -0.4242 Soluble
224 P T -0.5653 Soluble
225 V T 0.0322 Aggregation-prone
226 T T -0.4833 Soluble
227 K T -0.7348 Soluble
228 S T -0.8611 Soluble
229 F T -1.2746 Soluble
230 N T -2.5294 Soluble
231 R T -2.9426 Soluble
232 G T -2.3197 Soluble
233 E T -2.5424 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 -0.7042 2.7371 CSV PDB
4.5 -0.7508 2.5254 CSV PDB
5.0 -0.8057 2.3931 CSV PDB
5.5 -0.8588 2.2495 CSV PDB
6.0 -0.8985 2.1122 CSV PDB
6.5 -0.9152 1.9981 CSV PDB
7.0 -0.9083 1.9151 CSV PDB
7.5 -0.8857 1.8555 CSV PDB
8.0 -0.8546 1.8085 CSV PDB
8.5 -0.8169 1.7695 CSV PDB
9.0 -0.7723 1.7392 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH