Comparison of CABS Dynamics with Molecular Dynamics

Using data deposited in the MoDEL database, we selected proteins satisfying the following conditions:

• sequence identity: < 30%,
• chain length: < 400 aa,
• single chain in the trajectory,
• simulation length: 10ns,

to get total of 393 Cα trajectories. Force-field for all MD trajectories: parm99, simulated using AMBER 8.0 (except of few trajectories simulated with NAMD 2.5/2.6).

#	PDB ID	rs	RMS	Chain length	CATH Class Architecture	CABS trajectory
1.	2ERL	0.61	4.91	40	Mainly Alpha, Up-down Bundle
2.	1Q9B	0.83	3.16	43	Alpha Beta, 2-Layer Sandwich
3.	1BHP	0.72	6.97	45	Alpha Beta, 2-Layer Sandwich
4.	1PTQ	0.76	2.40	50	Alpha Beta, 2-Layer Sandwich
5.	1MOF	0.52	22.72	53	Mainly Alpha, Orthogonal Bundle
6.	1ENH	0.56	8.27	54	Mainly Alpha, Orthogonal Bundle
7.	1KNT	0.52	1.92	55	Few Secondary Structures, Irregular
8.	2OVO	0.67	7.02	56	Alpha Beta, 2-Layer Sandwich
9.	1JO8	0.74	2.71	58	Mainly Beta, Roll
10.	1MHN	0.89	3.02	59	Mainly Beta, Roll
11.	1VIE	0.91	5.87	60	Mainly Beta, Roll
12.	1I6F	0.87	4.21	60	Alpha Beta, 2-Layer Sandwich
13.	1D1L	0.80	8.95	61	Alpha Beta, 2-Layer Sandwich
14.	1NPI	0.56	6.67	61	Alpha Beta, 2-Layer Sandwich
15.	1FAS	0.87	1.69	61	Mainly Beta, Ribbon
16.	2IGD	0.87	4.25	61	Alpha Beta, Roll
17.	1I2T	0.50	1.27	61	Mainly Alpha, Orthogonal Bundle
18.	1G2B	0.66	2.64	62	Mainly Beta, Roll
19.	3EBX	0.81	2.12	62	Mainly Beta, Ribbon
20.	1F94	0.71	2.51	63	Mainly Beta, Ribbon
21.	1R69	0.68	1.40	63	Mainly Alpha, Orthogonal Bundle
22.	1RMR	0.59	14.53	64	Few Secondary Structures, Irregular
23.	1UCS	0.44	3.20	64	Alpha Beta, Alpha-Beta Complex
24.	1FF4	0.83	3.26	65	Mainly Beta, Ribbon
25.	1CSP	0.86	2.75	67	Mainly Beta, Beta Barrel
26.	1SDF	0.87	4.63	67	Mainly Beta, Beta Barrel
27.	1VBW	0.83	4.11	68	Alpha Beta, 2-Layer Sandwich
28.	1CTF	0.52	2.03	68	Alpha Beta, 2-Layer Sandwich
29.	1MJC	0.90	3.03	69	Mainly Beta, Beta Barrel
30.	1UTG	0.71	3.13	70	Mainly Alpha, Orthogonal Bundle
31.	1C75	0.47	4.48	71	Mainly Alpha, Orthogonal Bundle
32.	1DOL	0.73	22.92	71	Mainly Beta, Beta Barrel
33.	1JML	0.47	22.32	72	Alpha Beta, Roll
34.	1FVQ	0.68	1.04	72	Alpha Beta, 2-Layer Sandwich
35.	1DT4	0.52	2.31	73	Alpha Beta, 2-Layer Sandwich
36.	1I27	0.64	4.30	73	Mainly Alpha, Orthogonal Bundle
37.	1OK0	0.66	2.60	74	Mainly Beta, Sandwich
38.	1HYP	0.79	4.14	75	Mainly Alpha, Orthogonal Bundle
39.	1UBI	0.81	1.91	76	Alpha Beta, Roll
40.	1TIF	0.64	3.52	76	Alpha Beta, Roll
41.	1T8K	0.72	1.78	77	Mainly Alpha, Orthogonal Bundle
42.	1VCC	0.76	5.51	77	Alpha Beta, 2-Layer Sandwich
43.	1KP6	0.76	1.77	79	Alpha Beta, 2-Layer Sandwich
44.	1R6J	0.77	2.70	82	Mainly Beta, Roll
45.	1I71	0.79	6.28	83	Mainly Beta, Beta Barrel
46.	1PHT	0.71	4.41	83	Mainly Beta, Roll
47.	1OPD	0.61	1.53	85	Alpha Beta, 2-Layer Sandwich
48.	1TIG	0.69	2.99	88	Alpha Beta, 2-Layer Sandwich
49.	1CYO	0.79	3.02	88	Alpha Beta, Roll
50.	1G9O	0.64	8.05	91	Mainly Beta, Roll
51.	2YGS	0.50	1.00	92	Mainly Alpha, Orthogonal Bundle
52.	1QZM	0.53	2.27	94	Mainly Alpha, Orthogonal Bundle
53.	1WHP	0.68	2.16	94	Mainly Beta, Sandwich
54.	1LPL	0.78	10.87	95	Mainly Beta, Roll
55.	1T2I	0.64	4.53	96	Alpha Beta, Roll
56.	1MWP	0.65	3.12	96	Alpha Beta, Alpha-Beta Complex
57.	1RIS	0.72	2.35	97	Alpha Beta, 2-Layer Sandwich
58.	1FRD	0.74	3.15	98	Alpha Beta, Roll
59.	2ACY	0.56	4.04	98	Alpha Beta, 2-Layer Sandwich
60.	1CQY	0.71	2.34	99	Mainly Beta, Sandwich
61.	1PLC	0.64	2.95	99	Mainly Beta, Sandwich
62.	1OPC	0.57	2.15	99	Mainly Alpha, Orthogonal Bundle
63.	1BM8	0.74	2.36	99	Alpha Beta, Roll
64.	1UB9	0.60	12.92	100	Mainly Alpha, Orthogonal Bundle
65.	3VUB	0.79	3.87	101	Mainly Beta, Roll
66.	3EZM	0.31	15.63	101	Mainly Beta, Roll
67.	1L3P	0.74	2.51	102	Mainly Alpha, Up-down Bundle
68.	1TUL	0.67	3.04	102	Mainly Beta, Distorted Sandwich
69.	1P1L	0.67	2.93	102	Alpha Beta, 2-Layer Sandwich
70.	1WWB	0.87	20.37	103	Mainly Beta, Sandwich
71.	1TLK	0.89	13.18	103	Mainly Beta, Sandwich
72.	1SKZ	0.74	5.59	104	Mainly Beta, Ribbon
73.	1F2F	0.70	4.18	104	Alpha Beta, 2-Layer Sandwich
74.	1KTE	0.74	2.05	105	Alpha Beta, 3-Layer(aba) Sandwich
75.	1TQG	0.56	2.86	105	Mainly Alpha, Up-down Bundle
76.	1BFS	0.53	1.99	106	Mainly Beta, Sandwich
77.	1EW4	0.83	3.80	106	Alpha Beta, 2-Layer Sandwich
78.	1E9M	0.64	1.82	106	Alpha Beta, Roll
79.	1BET	0.88	4.80	107	Mainly Beta, Ribbon
80.	1NSO	0.54	5.25	107	Mainly Beta, Beta Barrel
81.	1CO6	0.40	2.50	107	Mainly Alpha, Orthogonal Bundle
82.	1J0P	0.69	13.14	108	Alpha Beta, Alpha-Beta Complex
83.	1JPC	0.68	22.25	108	Mainly Beta, Orthogonal Prism
84.	3SSI	0.86	5.53	108	Alpha Beta, 2-Layer Sandwich
85.	1JER	0.75	3.53	110	Mainly Beta, Sandwich
86.	1KR7	0.56	2.52	110	Mainly Alpha, Orthogonal Bundle
87.	1IU9	0.58	2.36	111	Alpha Beta, 3-Layer(aba) Sandwich
88.	1SFP	0.81	3.40	111	Mainly Beta, Sandwich
89.	1KPF	0.82	10.85	111	Alpha Beta, 2-Layer Sandwich
90.	1T00	0.49	2.98	112	Alpha Beta, 3-Layer(aba) Sandwich
91.	1PIL	0.67	11.25	112	Alpha Beta, 2-Layer Sandwich
92.	1QAU	0.83	6.15	112	Mainly Beta, Roll
93.	1TFG	0.74	3.66	112	Mainly Beta, Ribbon
94.	2MCM	0.56	2.22	112	Mainly Beta, Sandwich
95.	1B11	0.82	7.60	113	Mainly Beta, Beta Barrel
96.	1A6F	0.61	2.40	113	Alpha Beta, 2-Layer Sandwich
97.	1OUR	0.74	3.16	114	Mainly Beta, Sandwich
98.	2RHE	0.82	2.84	114	Mainly Beta, Sandwich
99.	1RMD	0.66	4.13	116	Alpha Beta, 2-Layer Sandwich
100.	1PY9	0.83	2.78	116	Mainly Beta, Sandwich
101.	1HCV	0.80	2.70	116	Mainly Beta, Sandwich
102.	1DLW	0.69	1.57	116	Mainly Alpha, Orthogonal Bundle
103.	1BEA	0.81	2.77	116	Mainly Alpha, Orthogonal Bundle
104.	1CS3	0.51	10.11	116	Alpha Beta, 2-Layer Sandwich
105.	1GNU	0.79	2.88	117	Alpha Beta, Roll
106.	1TMY	0.60	1.80	118	Alpha Beta, 3-Layer(aba) Sandwich
107.	1GYV	0.78	2.23	120	Mainly Beta, Sandwich
108.	1S8I	0.80	2.81	121	Mainly Alpha, Up-down Bundle
109.	1L7L	0.47	3.38	121	Mainly Beta, Sandwich
110.	1DHN	0.89	4.46	121	Alpha Beta, 2-Layer Sandwich
111.	1QTO	0.54	10.35	122	Alpha Beta, Roll
112.	1LWB	0.56	3.33	122	Mainly Alpha, Up-down Bundle
113.	1WHI	0.78	3.74	122	Mainly Beta, Beta Barrel
114.	1HQ8	0.90	3.45	123	Alpha Beta, Roll
115.	1C44	0.73	4.22	123	Alpha Beta, 2-Layer Sandwich
116.	1BGF	0.88	4.03	124	Mainly Alpha, Orthogonal Bundle
117.	1S7I	0.68	7.27	124	Alpha Beta, 2-Layer Sandwich
118.	1OOI	0.40	1.54	124	Mainly Alpha, Orthogonal Bundle
119.	1AGI	0.78	3.87	125	Alpha Beta, Roll
120.	1P6P	0.71	3.15	125	Mainly Beta, Beta Barrel
121.	1DFX	0.75	5.44	125	Mainly Beta, Sandwich
122.	1CHN	0.69	3.36	126	Alpha Beta, 3-Layer(aba) Sandwich
123.	1K40	0.68	0.78	126	Mainly Alpha, Up-down Bundle
124.	1BFG	0.68	2.65	126	Mainly Beta, Sandwich
125.	1RIE	0.62	3.54	127	Mainly Beta, 3-layer Sandwich
126.	1PDO	0.64	3.30	129	Alpha Beta, 3-Layer(aba) Sandwich
127.	1HZI	0.59	1.72	129	Mainly Alpha, Up-down Bundle
128.	1CPQ	0.39	4.71	129	Mainly Alpha, Up-down Bundle
129.	1CUO	0.79	3.93	129	Mainly Beta, Sandwich
130.	1MSC	0.86	16.99	129	Alpha Beta, 2-Layer Sandwich
131.	1EW0	0.38	33.84	130	Alpha Beta, 2-Layer Sandwich
132.	1PA7	0.86	2.59	130	Mainly Alpha, Orthogonal Bundle
133.	1PXU	0.85	3.56	131	Mainly Beta, Beta Barrel
134.	1LMI	0.87	2.23	131	Mainly Beta, Sandwich
135.	1C52	0.68	2.07	131	Mainly Alpha, Orthogonal Bundle
136.	1LIS	0.73	2.69	131	Mainly Alpha, Up-down Bundle
137.	1C7K	0.62	2.30	132	Alpha Beta, 3-Layer(aba) Sandwich
138.	1B56	0.76	2.68	133	Mainly Beta, Beta Barrel
139.	1KQW	0.73	2.34	134	Mainly Beta, Beta Barrel
140.	1AQT	0.72	2.27	135	Mainly Beta, Sandwich
141.	1GQV	0.60	5.06	135	Alpha Beta, Roll
142.	1COF	0.58	2.56	135	Alpha Beta, 3-Layer(aba) Sandwich
143.	1ECA	0.64	2.01	136	Mainly Alpha, Orthogonal Bundle
144.	1S3D	0.69	4.49	138	Alpha Beta, 3-Layer(aba) Sandwich
145.	1BSN	0.80	2.41	138	Mainly Beta, Sandwich
146.	5NUL	0.75	1.86	138	Alpha Beta, 3-Layer(aba) Sandwich
147.	1ANU	0.82	2.97	138	Mainly Beta, Sandwich
148.	1PNE	0.67	2.36	139	Alpha Beta, 2-Layer Sandwich
149.	1EJ8	0.82	3.32	140	Mainly Beta, Sandwich
150.	1B1B	0.47	2.43	140	Mainly Alpha, Orthogonal Bundle
151.	1IFG	0.83	4.72	140	Mainly Beta, Sandwich
152.	1H3Q	0.82	3.16	140	Alpha Beta, 2-Layer Sandwich
153.	1Q2Y	0.81	1.79	140	Alpha Beta, 3-Layer(aba) Sandwich
154.	1HUP	0.59	22.48	141	Alpha Beta, Roll
155.	1LCL	0.81	3.32	141	Mainly Beta, Sandwich
156.	1TFE	0.68	2.36	142	Alpha Beta, 2-Layer Sandwich
157.	1TZW	0.71	3.21	142	Mainly Alpha, Orthogonal Bundle
158.	1EYH	0.76	2.83	144	Mainly Alpha, Alpha Horseshoe
159.	1MKP	0.82	2.79	144	Alpha Beta, Alpha-Beta Complex
160.	1I5G	0.67	2.77	144	Alpha Beta, 3-Layer(aba) Sandwich
161.	1J7G	0.84	7.75	144	Alpha Beta, 3-Layer(bba) Sandwich
162.	1BZ4	0.68	1.79	144	Mainly Alpha, Up-down Bundle
163.	1QQH	0.77	4.99	144	Mainly Beta, Beta Complex
164.	1SRV	0.61	3.78	145	Alpha Beta, 3-Layer(bba) Sandwich
165.	1PKP	0.72	2.28	145	Alpha Beta, 2-Layer Sandwich
166.	1JMW	0.76	6.86	146	Mainly Alpha, Up-down Bundle
167.	1NB0	0.85	3.84	147	Mainly Beta, Beta Barrel
168.	1ASH	0.70	2.63	147	Mainly Alpha, Orthogonal Bundle
169.	1KFR	0.83	1.05	147	Mainly Alpha, Orthogonal Bundle
170.	2HBG	0.60	1.53	147	Mainly Alpha, Orthogonal Bundle
171.	1NG6	0.42	2.81	148	Mainly Alpha, Orthogonal Bundle
172.	2ARA	0.64	3.43	149	Mainly Beta, Sandwich
173.	2LHB	0.63	2.68	149	Mainly Alpha, Orthogonal Bundle
174.	1BJ7	0.68	3.05	150	Mainly Beta, Beta Barrel
175.	1AMX	0.52	3.73	150	Mainly Beta, Sandwich
176.	1F3G	0.78	2.59	150	Mainly Beta, Distorted Sandwich
177.	1LEO	0.72	7.63	150	Alpha Beta, 2-Layer Sandwich
178.	1SRA	0.82	3.08	151	Mainly Alpha, Orthogonal Bundle
179.	1OAL	0.63	4.41	151	Mainly Beta, Sandwich
180.	1ILK	0.48	33.84	151	Mainly Alpha, Up-down Bundle
181.	1ASS	0.72	2.15	152	Alpha Beta, 3-Layer(bba) Sandwich
182.	1DVO	0.44	42.79	152	Mainly Alpha, Orthogonal Bundle
183.	2GDM	0.79	2.65	153	Mainly Alpha, Orthogonal Bundle
184.	1AEP	0.72	1.29	153	Mainly Alpha, Up-down Bundle
185.	1B4L	0.74	3.19	153	Mainly Beta, Sandwich
186.	1MD6	0.76	4.28	154	Mainly Beta, Trefoil
187.	1GUI	0.74	3.19	155	Mainly Beta, Sandwich
188.	1ICX	0.70	4.01	155	Alpha Beta, 2-Layer Sandwich
189.	2E2C	0.66	8.80	156	Alpha Beta, Roll
190.	1BD8	0.59	3.40	156	Mainly Alpha, Alpha Horseshoe
191.	1DG9	0.79	5.69	157	Alpha Beta, 3-Layer(aba) Sandwich
192.	1TFU	0.66	3.39	157	Alpha Beta, 3-Layer(aba) Sandwich
193.	1VHH	0.81	6.47	157	Alpha Beta, 2-Layer Sandwich
194.	1HLB	0.59	3.94	157	Mainly Alpha, Orthogonal Bundle
195.	1KXA	0.83	10.22	158	Mainly Beta, Beta Barrel
196.	1QST	0.66	3.65	160	Alpha Beta, 3-Layer(aba) Sandwich
197.	1G43	0.53	2.65	160	Mainly Beta, Sandwich
198.	1CZT	0.85	2.89	160	Mainly Beta, Sandwich
199.	1C25	0.76	11.64	161	Alpha Beta, 3-Layer(aba) Sandwich
200.	1BLE	0.75	2.28	161	Alpha Beta, 3-Layer(aba) Sandwich
201.	1QIB	0.82	4.88	161	Alpha Beta, 3-Layer(aba) Sandwich
202.	1BSQ	0.73	2.70	162	Mainly Beta, Beta Barrel
203.	1JOB	0.70	6.92	162	Mainly Beta, Sandwich
204.	1KLO	0.54	3.98	162	Mainly Beta, Ribbon
205.	1P36	0.59	3.03	164	Mainly Alpha, Orthogonal Bundle
206.	1DFF	0.62	3.18	164	Alpha Beta, Alpha-Beta Complex
207.	1G5Z	0.65	2.11	164	Mainly Alpha, Up-down Bundle
208.	1SK3	0.72	2.14	165	Alpha Beta, 3-Layer(aba) Sandwich
209.	1J2A	0.76	4.86	166	Mainly Beta, Beta Barrel
210.	1IL6	0.78	5.16	166	Mainly Alpha, Up-down Bundle
211.	1GNR	0.56	3.75	166	Alpha Beta, 3-Layer(aba) Sandwich
212.	1OFV	0.60	2.38	169	Alpha Beta, 3-Layer(aba) Sandwich
213.	1C3G	0.51	10.36	170	Mainly Beta, Sandwich
214.	1KOE	0.65	2.10	172	Alpha Beta, Roll
215.	2FCB	0.66	2.53	173	Mainly Beta, Sandwich
216.	2PRD	0.68	4.61	174	Alpha Beta, Alpha-Beta Complex
217.	1AQB	0.74	4.06	175	Mainly Beta, Beta Barrel
218.	1TZQ	0.79	2.34	175	Mainly Beta, Sandwich
219.	1P7N	0.85	8.48	176	Mainly Alpha, Orthogonal Bundle
220.	1EB6	0.77	3.30	177	Alpha Beta, 3-Layer(aba) Sandwich
221.	1YW5	0.76	5.01	177	Alpha Beta, Roll
222.	1CID	0.81	2.18	177	Mainly Beta, Sandwich
223.	1CDY	0.73	2.49	178	Mainly Beta, Sandwich
224.	1MJN	0.69	2.16	179	Alpha Beta, 3-Layer(aba) Sandwich
225.	1JWQ	0.68	2.48	179	Alpha Beta, 3-Layer(aba) Sandwich
226.	1PM1	0.83	3.83	180	Mainly Beta, Beta Barrel
227.	1DOV	0.83	11.26	181	Mainly Alpha, Up-down Bundle
228.	1BED	0.62	3.54	181	Alpha Beta, 3-Layer(aba) Sandwich
229.	1WBC	0.85	4.04	183	Mainly Beta, Trefoil
230.	1UMH	0.78	3.14	184	Mainly Beta, Sandwich
231.	1PI1	0.79	4.55	185	Mainly Alpha, Up-down Bundle
232.	2SAS	0.79	3.09	185	Mainly Alpha, Orthogonal Bundle
233.	1PMJ	0.61	5.05	185	Mainly Beta, Sandwich
234.	1R8N	0.84	6.70	185	Mainly Beta, Trefoil
235.	1AD6	0.77	4.11	185	Mainly Alpha, Orthogonal Bundle
236.	1IS1	0.66	4.39	185	Mainly Alpha, Orthogonal Bundle
237.	1V7R	0.63	2.18	186	Alpha Beta, Alpha-Beta Complex
238.	1N81	0.71	21.43	186	Mainly Alpha, Orthogonal Bundle
239.	1JHS	0.89	6.94	188	Alpha Beta, 3-Layer(aba) Sandwich
240.	1UHN	0.55	3.28	189	Mainly Alpha, Orthogonal Bundle
241.	1I82	0.76	2.62	189	Mainly Beta, Sandwich
242.	3TSS	0.69	2.96	190	Alpha Beta, Roll
243.	1B71	0.68	5.05	191	Mainly Alpha, Up-down Bundle
244.	1EJE	0.91	13.70	192	Mainly Beta, Roll
245.	1QCY	0.59	2.67	193	Alpha Beta, 3-Layer(aba) Sandwich
246.	1PBV	0.79	2.24	195	Mainly Alpha, Orthogonal Bundle
247.	1XBN	0.77	3.61	195	Alpha Beta, Alpha-Beta Complex
248.	1YZF	0.66	2.56	195	Alpha Beta, 3-Layer(aba) Sandwich
249.	1QHV	0.85	15.31	195	Mainly Beta, Sandwich
250.	1T4W	0.85	4.33	196	Mainly Beta, Sandwich
251.	1EE6	0.62	1.81	197	Mainly Beta, 3 Solenoid
252.	1BUD	0.74	2.89	197	Alpha Beta, 3-Layer(aba) Sandwich
253.	1IAE	0.50	3.90	200	Alpha Beta, 3-Layer(aba) Sandwich
254.	1GEN	0.81	5.03	200	Mainly Beta, 4 Propellor
255.	1FI2	0.74	6.87	201	Mainly Beta, Sandwich
256.	1OMR	0.57	5.75	201	Mainly Alpha, Orthogonal Bundle
257.	1KUU	0.84	3.61	202	Alpha Beta, 4-Layer Sandwich
258.	1MIX	0.77	5.80	206	Mainly Alpha, Up-down Bundle
259.	1AN8	0.76	2.56	206	Alpha Beta, Roll
260.	1YER	0.72	2.30	207	Alpha Beta, 2-Layer Sandwich
261.	1L8F	0.69	2.48	207	Mainly Beta, Beta Barrel
262.	1G66	0.63	2.85	207	Alpha Beta, 3-Layer(aba) Sandwich
263.	1H2E	0.79	3.22	207	Alpha Beta, 3-Layer(aba) Sandwich
264.	1BOY	0.75	3.77	211	Mainly Beta, Sandwich
265.	1ENF	0.62	3.20	212	Alpha Beta, Roll
266.	1BWP	0.71	3.31	212	Alpha Beta, 3-Layer(aba) Sandwich
267.	1IO2	0.82	3.26	213	Alpha Beta, 2-Layer Sandwich
268.	1LBU	0.67	4.29	213	Mainly Alpha, Orthogonal Bundle
269.	1SUR	0.80	3.85	215	Alpha Beta, 3-Layer(aba) Sandwich
270.	1P3C	0.63	2.44	215	Mainly Beta, Beta Barrel
271.	1TJD	0.83	2.90	216	Alpha Beta, Roll
272.	1AW9	0.77	5.92	216	Alpha Beta, 3-Layer(aba) Sandwich
273.	1PPO	0.85	2.37	216	Alpha Beta, Alpha-Beta Complex
274.	1JFX	0.67	2.69	217	Alpha Beta, Alpha-Beta Barrel
275.	1GPC	0.76	3.42	218	Alpha Beta, Alpha-Beta Complex
276.	1JUD	0.35	2.53	220	Alpha Beta, 3-Layer(aba) Sandwich
277.	1AK2	0.71	4.07	220	Alpha Beta, 3-Layer(aba) Sandwich
278.	1RC9	0.78	8.62	221	Alpha Beta, 3-Layer(aba) Sandwich
279.	1O08	0.67	2.05	221	Alpha Beta, 3-Layer(aba) Sandwich
280.	1BOL	0.68	4.35	222	Alpha Beta, Alpha-Beta Complex
281.	1OA4	0.78	2.33	222	Mainly Beta, Sandwich
282.	1DPO	0.74	3.01	223	Mainly Beta, Beta Barrel
283.	1AKZ	0.52	2.66	223	Alpha Beta, 3-Layer(aba) Sandwich
284.	1TJE	0.71	2.87	224	Alpha Beta, Roll
285.	1G62	0.65	2.34	224	Alpha Beta, 5-stranded Propeller
286.	1CBY	0.82	21.53	227	Alpha Beta, 3-Layer(aba) Sandwich
287.	1G8A	0.74	2.89	227	Alpha Beta, 2-Layer Sandwich
288.	1FX4	0.83	4.33	231	Alpha Beta, 2-Layer Sandwich
289.	1LRV	0.60	3.40	233	Mainly Alpha, Alpha Horseshoe
290.	1Z33	0.76	3.64	235	Alpha Beta, 3-Layer(aba) Sandwich
291.	1AL3	0.69	2.40	237	Alpha Beta, 3-Layer(aba) Sandwich
292.	1G3Q	0.71	1.93	237	Alpha Beta, 3-Layer(aba) Sandwich
293.	1DUA	0.71	4.83	242	Mainly Beta, Beta Barrel
294.	2BAA	0.75	4.58	243	Mainly Alpha, Orthogonal Bundle
295.	1S2O	0.65	2.85	244	Alpha Beta, 3-Layer(aba) Sandwich
296.	1AH7	0.67	2.79	245	Mainly Alpha, Orthogonal Bundle
297.	1MRJ	0.71	2.99	247	Alpha Beta, 3-Layer(aba) Sandwich
298.	1QTS	0.71	9.02	247	Mainly Beta, Sandwich
299.	1HCZ	0.63	4.13	250	Mainly Beta, Sandwich
300.	1P4X	0.77	3.73	250	Mainly Alpha, Orthogonal Bundle
301.	1NXQ	0.73	4.01	251	Alpha Beta, 3-Layer(aba) Sandwich
302.	1MML	0.55	2.82	251	Alpha Beta, 2-Layer Sandwich
303.	1QWG	0.72	2.62	251	Alpha Beta, Alpha-Beta Barrel
304.	1GQN	0.68	2.65	252	Alpha Beta, Alpha-Beta Barrel
305.	1VIN	0.71	2.11	252	Mainly Alpha, Orthogonal Bundle
306.	1THF	0.71	2.47	253	Alpha Beta, Alpha-Beta Barrel
307.	1LP8	0.74	2.61	254	Alpha Beta, 3-Layer(aba) Sandwich
308.	1BG5	0.87	19.97	254	Alpha Beta, 3-Layer(aba) Sandwich
309.	1KGE	0.73	2.64	257	Alpha Beta, 3-Layer(aba) Sandwich
310.	1PLR	0.69	3.21	258	Alpha Beta, Box
311.	1LXA	0.60	3.85	262	Mainly Beta, 3 Solenoid
312.	1SKF	0.75	2.71	262	Alpha Beta, 3-Layer(aba) Sandwich
313.	1MAT	0.63	2.51	263	Alpha Beta, Alpha-Beta Complex
314.	1C8Z	0.86	6.00	265	Alpha Beta, Alpha-Beta Barrel
315.	1CD5	0.74	3.10	266	Alpha Beta, 3-Layer(aba) Sandwich
316.	1AKO	0.71	3.15	268	Alpha Beta, 4-Layer Sandwich
317.	1TIB	0.67	2.39	269	Alpha Beta, 3-Layer(aba) Sandwich
318.	2DRI	0.59	2.08	271	Alpha Beta, 3-Layer(aba) Sandwich
319.	1BWZ	0.80	2.82	274	Alpha Beta, Roll
320.	2PLC	0.45	2.58	274	Alpha Beta, Alpha-Beta Barrel
321.	1JE6	0.70	2.69	275	Alpha Beta, 2-Layer Sandwich
322.	1JKW	0.59	3.94	277	Mainly Alpha, Orthogonal Bundle
323.	1PHK	0.71	4.69	277	Alpha Beta, 2-Layer Sandwich
324.	1K0F	0.72	3.27	277	Alpha Beta, 3-Layer(aba) Sandwich
325.	1BRT	0.54	3.20	277	Alpha Beta, 3-Layer(aba) Sandwich
326.	1T6K	0.81	2.78	278	Alpha Beta, Roll
327.	1IC6	0.73	2.25	279	Alpha Beta, 3-Layer(aba) Sandwich
328.	1AJ2	0.71	2.73	282	Alpha Beta, Alpha-Beta Barrel
329.	1YTN	0.65	3.95	283	Alpha Beta, Alpha-Beta Complex
330.	1CFR	0.71	4.26	283	Alpha Beta, 3-Layer(aba) Sandwich
331.	1QTW	0.65	3.13	285	Alpha Beta, Alpha-Beta Barrel
332.	2EBN	0.67	3.28	285	Alpha Beta, Alpha-Beta Barrel
333.	1TIS	0.81	5.30	286	Alpha Beta, 2-Layer Sandwich
334.	1XSM	0.68	5.20	288	Mainly Alpha, Orthogonal Bundle
335.	1NAR	0.74	4.26	289	Alpha Beta, Alpha-Beta Barrel
336.	1KS9	0.62	2.16	291	Alpha Beta, 3-Layer(aba) Sandwich
337.	1ORB	0.76	5.65	293	Alpha Beta, 3-Layer(aba) Sandwich
338.	1JDR	0.70	3.45	294	Mainly Alpha, Orthogonal Bundle
339.	1C3D	0.51	2.56	294	Mainly Alpha, Alpha/alpha barrel
340.	1FTS	0.63	2.74	295	Mainly Alpha, Up-down Bundle
341.	1HQ0	0.78	4.13	295	Alpha Beta, 4-Layer Sandwich
342.	1K5P	0.52	2.79	295	Alpha Beta, 3-Layer(aba) Sandwich
343.	1AUA	0.76	3.04	296	Mainly Alpha, Orthogonal Bundle
344.	1EZM	0.56	3.62	298	Alpha Beta, Roll
345.	1NQ6	0.54	3.00	302	Alpha Beta, Alpha-Beta Barrel
346.	1BQC	0.63	3.45	302	Alpha Beta, Alpha-Beta Barrel
347.	1PA2	0.67	3.72	306	Mainly Alpha, Orthogonal Bundle
348.	1GHR	0.71	3.40	306	Alpha Beta, Alpha-Beta Barrel
349.	1M4L	0.61	3.45	307	Alpha Beta, 3-Layer(aba) Sandwich
350.	1SBP	0.59	2.34	309	Alpha Beta, 3-Layer(aba) Sandwich
351.	1D9V	0.58	2.39	309	Alpha Beta, 3-Layer(aba) Sandwich
352.	1AS0	0.55	3.54	313	Alpha Beta, 3-Layer(aba) Sandwich
353.	1QLM	0.74	2.21	316	Alpha Beta, Roll
354.	1KKH	0.83	2.68	317	Alpha Beta, 2-Layer Sandwich
355.	1HQD	0.58	3.14	320	Alpha Beta, 3-Layer(aba) Sandwich
356.	2PIA	0.66	2.77	321	Mainly Beta, Beta Barrel
357.	1IXH	0.30	2.26	321	Alpha Beta, 3-Layer(aba) Sandwich
358.	1BG2	0.77	8.81	323	Alpha Beta, 3-Layer(aba) Sandwich
359.	1XDW	0.78	5.89	331	Alpha Beta, 3-Layer(aba) Sandwich
360.	1VC2	0.83	4.72	331	Alpha Beta, 3-Layer(aba) Sandwich
361.	1B63	0.69	11.59	333	Alpha Beta, 2-Layer Sandwich
362.	1FOB	0.70	2.95	334	Alpha Beta, Alpha-Beta Barrel
363.	1FSZ	0.73	8.12	334	Alpha Beta, 3-Layer(aba) Sandwich
364.	1DXH	0.80	3.75	335	Alpha Beta, 3-Layer(aba) Sandwich
365.	1NE9	0.66	3.42	335	Alpha Beta, 3-Layer(aba) Sandwich
366.	1GS6	0.72	8.14	336	Mainly Beta, Sandwich
367.	1YFQ	0.88	7.14	342	Mainly Beta, 7 Propellor
368.	2LIV	0.60	2.61	344	Alpha Beta, 3-Layer(aba) Sandwich
369.	1G2U	0.82	7.17	345	Alpha Beta, 3-Layer(aba) Sandwich
370.	1E5W	0.63	4.70	346	Alpha Beta, Roll
371.	1FPS	0.71	2.99	348	Mainly Alpha, Orthogonal Bundle
372.	1QAZ	0.72	5.31	351	Mainly Alpha, Alpha/alpha barrel
373.	1AIR	0.81	3.23	352	Mainly Beta, 3 Solenoid
374.	1H6L	0.77	4.28	353	Mainly Beta, 6 Propellor
375.	1GTG	0.71	2.79	357	Alpha Beta, 3-Layer(aba) Sandwich
376.	1QCX	0.72	3.94	359	Mainly Beta, 3 Solenoid
377.	1JDW	0.62	2.28	360	Alpha Beta, 5-stranded Propeller
378.	1PJB	0.72	3.55	361	Alpha Beta, 3-Layer(aba) Sandwich
379.	1EUR	0.75	4.74	361	Mainly Beta, 6 Propellor
380.	4THI	0.69	2.75	362	Alpha Beta, 3-Layer(aba) Sandwich
381.	1UE8	0.44	3.78	367	Mainly Alpha, Orthogonal Bundle
382.	3MBP	0.55	2.47	370	Alpha Beta, 3-Layer(aba) Sandwich
383.	2CHR	0.57	2.21	370	Alpha Beta, 2-Layer Sandwich
384.	1PUD	0.69	2.03	372	Alpha Beta, Alpha-Beta Barrel
385.	1D2P	0.29	28.14	373	Mainly Beta, Sandwich
386.	1QLJ	0.59	3.52	374	Alpha Beta, Alpha-Beta Complex
387.	1ATU	0.72	3.35	374	Alpha Beta, 2-Layer Sandwich
388.	1BHE	0.71	2.76	376	Mainly Beta, 3 Solenoid
389.	1O5T	0.64	2.74	378	Alpha Beta, 3-Layer(aba) Sandwich
390.	1CS6	0.70	3.42	382	Mainly Beta, Sandwich
391.	1NOF	0.71	3.22	383	Mainly Beta, Sandwich
392.	1ATR	0.67	3.27	383	Alpha Beta, 2-Layer Sandwich
393.	1QHD	0.70	3.14	397	Mainly Alpha, Orthogonal Bundle
avg.		0.70	4.66

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© Laboratory of Theory of Biopolymers, Faculty of Chemistry, University of Warsaw 2013