Rontalizumab / 4z5r

A4DAB228_4z5r_W_V | Source PDB: 4z5r | Chains: W, V | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.6967
Max Score
1.0623
Min Score
-3.5563
Total Score
-299.59
Score CDR
-0.1854
Score non-CDR
-0.761

Calculation Parameters

Chain Sequence(s) EVQLVESGGGLVQPGGSLRLSCATSGYTFTEYIIHWVRQAPGKGLEWVASINPDYDITNYNQRFKGRFTISLDKSKRTAYLQMNSLRAEDTAVYYCASWISDFFDYWGQGTLVTVSSASTKGPSVFPLAPSSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPDIQMTQSPSSLSASVGDRVTITCRASQSVSTSSYSYMHWYQQKPGKAPKVLISYASNLESGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQHSWGIPRTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGE input.pdb
Selected Chain(s) W (Heavy), V (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 -3.5563
Maximum Score 1.0623
Average Score -0.6967
Total Score -299.5864

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

Index Residue Chain A4D Score Classification
1 E W -2.1079 Soluble
2 V W -1.2711 Soluble
3 Q W -1.3683 Soluble
4 L W 0.0000 Buried
5 V W 0.4377 Aggregation-prone
6 E W 0.0000 Buried
7 S W -0.5217 Soluble
8 G W -0.9292 Soluble
9 G W -0.7086 Soluble
11 G W -0.2972 Soluble
12 L W -0.0043 Soluble
13 V W -0.6004 Soluble
14 Q W -1.5928 Soluble
15 P W -1.7521 Soluble
16 G W -1.5207 Soluble
17 G W -1.1784 Soluble
18 S W -1.4459 Soluble
19 L W -1.1510 Soluble
20 R W -2.2125 Soluble
21 L W 0.0000 Buried
22 S W -0.5191 Soluble
23 C W 0.0000 Buried
24 A W -0.3268 Soluble
25 T W 0.0000 Buried
26 S W -0.8474 Soluble
27 G W -1.3092 Soluble
28 Y W -0.8945 Soluble
29 T W -0.6643 Soluble
30 F W 0.0000 Buried
35 T W -1.5006 Soluble
36 E W -1.7911 Soluble
37 Y W -0.4293 Soluble
38 I W 0.3319 Aggregation-prone
39 I W 0.0000 Buried
40 H W 0.0000 Buried
41 W W 0.0000 Buried
42 V W 0.0000 Buried
43 R W 0.0000 Buried
44 Q W -0.6766 Soluble
45 A W -1.1569 Soluble
46 P W -0.9810 Soluble
47 G W -1.4645 Soluble
48 K W -2.2981 Soluble
49 G W -1.5037 Soluble
50 L W 0.0000 Buried
51 E W -0.6666 Soluble
52 W W 0.0000 Buried
53 V W 0.0000 Buried
54 A W 0.0000 Buried
55 S W 0.0000 Buried
56 I W 0.0000 Buried
57 N W -0.3980 Soluble
58 P W 0.0000 Buried
59 D W -1.9465 Soluble
62 Y W -0.0079 Soluble
63 D W -0.8629 Soluble
64 I W 0.7152 Aggregation-prone
65 T W 0.2915 Aggregation-prone
66 N W -0.2292 Soluble
67 Y W -1.0643 Soluble
68 N W 0.0000 Buried
69 Q W -2.6538 Soluble
70 R W -2.9996 Soluble
71 F W 0.0000 Buried
72 K W -2.9667 Soluble
74 G W -2.0316 Soluble
75 R W -1.6654 Soluble
76 F W 0.0000 Buried
77 T W -1.0357 Soluble
78 I W 0.0000 Buried
79 S W -0.4114 Soluble
80 L W -1.0323 Soluble
81 D W -1.9379 Soluble
82 K W -2.7394 Soluble
83 S W -2.0543 Soluble
84 K W -2.6535 Soluble
85 R W -2.0405 Soluble
86 T W 0.0000 Buried
87 A W 0.0000 Buried
88 Y W 0.0000 Buried
89 L W 0.0000 Buried
90 Q W -1.5445 Soluble
91 M W 0.0000 Buried
92 N W -1.7607 Soluble
93 S W -1.4415 Soluble
94 L W 0.0000 Buried
95 R W -2.5221 Soluble
96 A W -1.8333 Soluble
97 E W -2.2825 Soluble
98 D W 0.0000 Buried
99 T W -0.7371 Soluble
100 A W 0.0000 Buried
101 V W 0.1754 Aggregation-prone
102 Y W 0.0000 Buried
103 Y W 0.0000 Buried
104 C W 0.0000 Buried
105 A W 0.0000 Buried
106 S W 0.0000 Buried
107 W W 0.0000 Buried
108 I W 1.0623 Aggregation-prone
109 S W 0.4986 Aggregation-prone
113 D W 0.0495 Aggregation-prone
114 F W 0.2849 Aggregation-prone
115 F W 0.0000 Buried
116 D W -0.2765 Soluble
117 Y W 0.0614 Aggregation-prone
118 W W -0.5003 Soluble
119 G W 0.0000 Buried
120 Q W -1.4943 Soluble
121 G W 0.0000 Buried
122 T W -0.1347 Soluble
123 L W -0.0062 Soluble
124 V W 0.0000 Buried
125 T W -0.4434 Soluble
126 V W 0.0000 Buried
127 S W -0.9399 Soluble
128 S W -0.6941 Soluble
129 A W -0.4156 Soluble
130 S W -0.5427 Soluble
131 T W -0.5384 Soluble
132 K W -0.9948 Soluble
133 G W -1.2147 Soluble
134 P W -0.5446 Soluble
135 S W -0.2651 Soluble
136 V W 0.0000 Buried
137 F W 0.0000 Buried
138 P W -1.0763 Soluble
139 L W 0.0000 Buried
140 A W -0.6167 Soluble
141 P W 0.0000 Buried
142 S W -0.3425 Soluble
143 S W -0.5666 Soluble
144 G W -0.8682 Soluble
145 G W -0.8539 Soluble
146 T W -0.5826 Soluble
147 A W 0.0000 Buried
148 A W 0.0000 Buried
149 L W 0.0000 Buried
150 G W 0.0000 Buried
151 C W 0.0000 Buried
152 L W 0.0000 Buried
153 V W 0.0000 Buried
154 K W 0.0000 Buried
155 D W -0.4060 Soluble
156 Y W 0.0000 Buried
157 F W 0.0000 Buried
158 P W 0.0000 Buried
159 E W -0.6429 Soluble
160 P W -0.6323 Soluble
161 V W -0.6759 Soluble
162 T W -0.6371 Soluble
163 V W 0.0000 Buried
164 S W -0.5172 Soluble
165 W W 0.0000 Buried
166 N W -0.7519 Soluble
167 S W -0.7172 Soluble
168 G W -0.6388 Soluble
169 A W -0.2544 Soluble
170 L W -0.0176 Soluble
171 T W -0.2219 Soluble
172 S W -0.2538 Soluble
173 G W -0.2500 Soluble
174 V W 0.0722 Aggregation-prone
175 H W -0.3348 Soluble
176 T W -0.0566 Soluble
177 F W 0.0000 Buried
178 P W -0.3233 Soluble
179 A W 0.1553 Aggregation-prone
180 V W 0.2757 Aggregation-prone
181 L W 0.7309 Aggregation-prone
182 Q W -0.0624 Soluble
183 S W -0.1900 Soluble
184 S W -0.2823 Soluble
185 G W -0.0425 Soluble
186 L W 0.1040 Aggregation-prone
187 Y W 0.3391 Aggregation-prone
188 S W 0.0000 Buried
189 L W 0.0000 Buried
190 S W 0.0000 Buried
191 S W 0.0000 Buried
192 V W 0.0000 Buried
193 V W 0.0000 Buried
194 T W -0.1521 Soluble
195 V W 0.0000 Buried
196 P W -0.6086 Soluble
197 S W -0.6521 Soluble
198 S W -0.6627 Soluble
199 S W -0.5630 Soluble
200 L W -0.8585 Soluble
201 G W -1.1447 Soluble
202 T W -0.9349 Soluble
203 Q W -1.2875 Soluble
204 T W -1.1642 Soluble
205 Y W 0.0000 Buried
206 I W -1.3270 Soluble
207 C W 0.0000 Buried
208 N W -1.5154 Soluble
209 V W 0.0000 Buried
210 N W -1.8563 Soluble
211 H W 0.0000 Buried
212 K W -2.7505 Soluble
213 P W -1.5650 Soluble
214 S W -1.7726 Soluble
215 N W -2.4461 Soluble
216 T W -2.0551 Soluble
217 K W -2.6463 Soluble
218 V W -1.6233 Soluble
219 D W -2.5556 Soluble
220 K W -2.0046 Soluble
221 K W -2.4883 Soluble
222 V W 0.0000 Buried
223 E W -2.4730 Soluble
224 P W -1.2594 Soluble
1 D V -2.0729 Soluble
2 I V 0.0000 Buried
3 Q V -2.2541 Soluble
4 M V 0.0000 Buried
5 T V -1.4480 Soluble
6 Q V 0.0000 Buried
7 S V -0.8354 Soluble
8 P V -0.5111 Soluble
9 S V -0.8324 Soluble
10 S V -0.7802 Soluble
11 L V -0.5052 Soluble
12 S V -0.6218 Soluble
13 A V -0.9376 Soluble
14 S V -0.9567 Soluble
15 V V -0.3567 Soluble
16 G V -0.8515 Soluble
17 D V -1.8695 Soluble
18 R V -2.3324 Soluble
19 V V 0.0000 Buried
20 T V -0.6161 Soluble
21 I V 0.0000 Buried
22 T V -0.9878 Soluble
23 C V 0.0000 Buried
24 R V -2.8237 Soluble
25 A V 0.0000 Buried
26 S V -1.9217 Soluble
27 Q V -1.8972 Soluble
28 S V -1.0002 Soluble
29 V V 0.0000 Buried
30 S V 0.0428 Aggregation-prone
31 T V 0.1270 Aggregation-prone
34 S V -0.1291 Soluble
35 S V 0.0927 Aggregation-prone
36 Y V 0.8133 Aggregation-prone
37 S V 0.0000 Buried
38 Y V 0.5573 Aggregation-prone
39 M V 0.0000 Buried
40 H V 0.0000 Buried
41 W V 0.0000 Buried
42 Y V 0.0000 Buried
43 Q V 0.0000 Buried
44 Q V 0.0000 Buried
45 K V -1.7344 Soluble
46 P V -1.3594 Soluble
47 G V -1.7647 Soluble
48 K V -2.5271 Soluble
49 A V -1.5656 Soluble
50 P V 0.0000 Buried
51 K V -1.7438 Soluble
52 V V -0.6138 Soluble
53 L V 0.0000 Buried
54 I V 0.0000 Buried
55 S V 0.0000 Buried
56 Y V 0.0649 Aggregation-prone
57 A V 0.0000 Buried
65 S V -0.6977 Soluble
66 N V -1.1574 Soluble
67 L V -0.3624 Soluble
68 E V -0.6774 Soluble
69 S V -0.5770 Soluble
70 G V -0.5429 Soluble
71 V V -0.3820 Soluble
72 P V -0.3568 Soluble
74 S V -0.4314 Soluble
75 R V -0.7942 Soluble
76 F V 0.0000 Buried
77 S V -0.5272 Soluble
78 G V -0.4950 Soluble
79 S V -0.8774 Soluble
80 G V -1.1976 Soluble
83 S V -0.8082 Soluble
84 G V -1.0472 Soluble
85 T V -1.8799 Soluble
86 D V -2.7610 Soluble
87 F V 0.0000 Buried
88 T V -0.8995 Soluble
89 L V 0.0000 Buried
90 T V -0.6099 Soluble
91 I V 0.0000 Buried
92 S V -1.3856 Soluble
93 S V -1.1562 Soluble
94 L V 0.0000 Buried
95 Q V -1.0897 Soluble
96 P V -1.7567 Soluble
97 E V -2.2346 Soluble
98 D V 0.0000 Buried
99 F V 0.0000 Buried
100 A V 0.0000 Buried
101 T V -0.7502 Soluble
102 Y V 0.0000 Buried
103 Y V 0.0000 Buried
104 C V 0.0000 Buried
105 Q V 0.0000 Buried
106 H V 0.0000 Buried
107 S V 0.2396 Aggregation-prone
108 W V 0.2278 Aggregation-prone
109 G V 0.0574 Aggregation-prone
114 I V 0.3717 Aggregation-prone
115 P V 0.0000 Buried
116 R V -0.3141 Soluble
117 T V -0.6693 Soluble
118 F V 0.0000 Buried
119 G V 0.0000 Buried
120 Q V -1.6244 Soluble
121 G V 0.0000 Buried
122 T V 0.0000 Buried
123 K V -1.4271 Soluble
124 V V 0.0000 Buried
125 E V -1.1158 Soluble
126 I V 0.0000 Buried
127 K V -1.1965 Soluble
128 R V -0.7644 Soluble
129 T V 0.0938 Aggregation-prone
130 V V 0.9047 Aggregation-prone
131 A V 0.3254 Aggregation-prone
132 A V -0.0269 Soluble
133 P V 0.0000 Buried
134 S V -0.2593 Soluble
135 V V 0.0000 Buried
136 F V -0.0365 Soluble
137 I V -0.0841 Soluble
138 F V 0.0000 Buried
139 P V -0.5536 Soluble
140 P V -0.8222 Soluble
141 S V -1.5734 Soluble
142 D V -2.8614 Soluble
143 E V -2.8672 Soluble
144 Q V 0.0000 Buried
145 L V -2.2426 Soluble
146 K V -2.8409 Soluble
147 S V -1.7884 Soluble
148 G V -1.4724 Soluble
149 T V -1.1413 Soluble
150 A V 0.0000 Buried
151 S V 0.0000 Buried
152 V V 0.0000 Buried
153 V V 0.0000 Buried
154 C V 0.0000 Buried
155 L V 0.0000 Buried
156 L V 0.0000 Buried
157 N V -0.3464 Soluble
158 N V -0.7585 Soluble
159 F V 0.0000 Buried
160 Y V 0.0000 Buried
161 P V -1.2252 Soluble
162 R V -2.2836 Soluble
163 E V -2.8414 Soluble
164 A V -2.1615 Soluble
165 K V -2.3461 Soluble
166 V V -1.0200 Soluble
167 Q V -0.5142 Soluble
168 W V 0.0000 Buried
169 K V -0.5660 Soluble
170 V V 0.0000 Buried
171 D V -1.7518 Soluble
172 N V -1.4611 Soluble
173 A V -0.2226 Soluble
174 L V 0.7367 Aggregation-prone
175 Q V -0.3637 Soluble
176 S V -0.7531 Soluble
177 G V -1.4500 Soluble
178 N V -1.8493 Soluble
179 S V -1.7683 Soluble
180 Q V -2.0811 Soluble
181 E V -1.9064 Soluble
182 S V -0.9320 Soluble
183 V V -0.5085 Soluble
184 T V -0.9106 Soluble
185 E V -2.0100 Soluble
186 Q V 0.0000 Buried
187 D V -2.0813 Soluble
188 S V -2.2835 Soluble
189 K V -2.6704 Soluble
190 D V -1.9483 Soluble
191 S V 0.0000 Buried
192 T V 0.0000 Buried
193 Y V 0.0000 Buried
194 S V 0.0000 Buried
195 L V 0.0000 Buried
196 S V 0.0000 Buried
197 S V 0.0000 Buried
198 T V -0.9252 Soluble
199 L V 0.0000 Buried
200 T V -0.5637 Soluble
201 L V -0.8598 Soluble
202 S V -1.2354 Soluble
203 K V -2.1932 Soluble
204 A V -1.9607 Soluble
205 D V -3.0437 Soluble
206 Y V 0.0000 Buried
207 E V -3.2830 Soluble
208 K V -3.5563 Soluble
209 H V -2.9583 Soluble
210 K V -2.5445 Soluble
211 V V -1.2642 Soluble
212 Y V 0.0000 Buried
213 A V 0.0000 Buried
214 C V 0.0000 Buried
215 E V -0.7591 Soluble
216 V V 0.0000 Buried
217 T V -1.1975 Soluble
218 H V 0.0000 Buried
219 Q V -1.6328 Soluble
220 G V -0.3575 Soluble
221 L V -0.2346 Soluble
222 S V -0.4806 Soluble
223 S V -0.4397 Soluble
224 P V -0.5454 Soluble
225 V V -0.0427 Soluble
226 T V -0.5983 Soluble
227 K V -1.0531 Soluble
228 S V -0.7764 Soluble
229 F V 0.0000 Buried
230 N V -1.9327 Soluble
231 R V -2.2801 Soluble
232 G V -2.0362 Soluble
233 E V -2.3383 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 -0.7113 2.6636 CSV PDB
4.5 -0.7569 2.4497 CSV PDB
5.0 -0.8109 2.201 CSV PDB
5.5 -0.8635 1.9344 CSV PDB
6.0 -0.9033 1.6606 CSV PDB
6.5 -0.9205 1.3848 CSV PDB
7.0 -0.9141 1.1932 CSV PDB
7.5 -0.892 1.163 CSV PDB
8.0 -0.8614 1.32 CSV PDB
8.5 -0.8242 1.481 CSV PDB
9.0 -0.7801 1.6427 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH